{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002027","ANALYSIS_ID":"AN003297","VERSION":"1","CREATED_ON":"December 22, 2021, 11:49 am"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics Analysis of Blood Plasma and Stool from Six Week Flaxseed Dietary Intervention in Postmenopausal Women","PROJECT_SUMMARY":"Samples were taken before and after 6 weeks of flaxseed dietary intervention. Serum and fecal metabolomics were performed to characterize the metabolomic profiles of serum and stool metabolites pre- and post-intervention.","INSTITUTE":"UC Davis","LAST_NAME":"folz","FIRST_NAME":"jake","ADDRESS":"451 Health Science Drive","EMAIL":"jfolz@ucdavis.edu","PHONE":"7155636311"},

"STUDY":{"STUDY_TITLE":"Metabolomics Analysis of Blood Plasma and Stool from Six Week Flaxseed Dietary Intervention in Postmenopausal Women (Serum/HILIC)","STUDY_SUMMARY":": Samples were taken before and after 6 weeks of flaxseed dietary intervention. Serum and fecal metabolomics were performed to characterize the metabolomic profiles of serum and stool metabolites pre- and post-intervention.","INSTITUTE":"UC Davis","LAST_NAME":"folz","FIRST_NAME":"jake","ADDRESS":"451 Health Science Drive","EMAIL":"jfolz@ucdavis.edu","PHONE":"7155636311"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
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"Sample ID":"RS-01550847",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812001000_008_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-01562406",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812002000_227_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-01573894",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812001070_009_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-01583300",
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"Additional sample data":{"RAW_FILE_NAME":"McCann_812009000_185_MX452646_posHILIC.raw"}
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{
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"Sample ID":"RS-01586081",
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"Additional sample data":{"RAW_FILE_NAME":"McCann_812002070_228_MX452646_posHILIC.raw"}
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{
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"Sample ID":"RS-01588531",
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"Subject ID":"-",
"Sample ID":"RS-02306766",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812239220_350_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02306884",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812256070_299_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02309618",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812243150_242_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02309836",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812262070_163_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02317073",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812238220_114_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02325634",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812251150_209_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02328813",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812249150_266_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02331215",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812241220_251_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02336876",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812266070_348_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02342102",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812267070_263_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02342624",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812250220_068_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02343648",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812271000_274_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02345931",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812253150_146_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02348427",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812260150_154_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02348475",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812278000_081_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02349202",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812275000_148_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02349825",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812243220_243_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02353557",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812251220_210_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02353973",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812249220_267_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02505087",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812280000_246_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02583622",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812271070_275_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02613837",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812253220_147_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02620835",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812278070_082_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02621406",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812260220_155_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02622790",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812275070_149_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02625987",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812287000_034_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02636604",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812290000_276_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02637671",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812280070_247_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02667585",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812287070_035_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02672335",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812276150_056_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02673059",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812277150_215_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02674499",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812290070_277_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02681304",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812283150_144_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02686740",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812282150_164_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02710755",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812286150_140_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02721185",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812277220_216_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02721339",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812276220_057_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02724209",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812285150_069_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02729762",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812283220_145_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02731725",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812291150_359_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02734075",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812288150_109_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02734836",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812282220_165_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02744983",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812286220_141_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02750161",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812285220_070_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02755964",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812288220_110_MX452646_posHILIC.raw"}
},
{
"Subject ID":"-",
"Sample ID":"RS-02756003",
"Factors":{"Treatment (pre-post)":"Pre-intervention"},
"Additional sample data":{"RAW_FILE_NAME":"McCann_812291220_360_MX452646_posHILIC.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":": Samples were taken before and after 6 weeks of flaxseed dietary intervention. Serum and fecal metabolomics were performed to characterize the metabolomic profiles of serum and stool metabolites pre- and post-intervention.","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":": Samples were taken before and after 6 weeks of flaxseed dietary intervention. Serum and fecal metabolomics were performed to characterize the metabolomic profiles of serum and stool metabolites pre- and post-intervention."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":": Samples were taken before and after 6 weeks of flaxseed dietary intervention. Serum and fecal metabolomics were performed to characterize the metabolomic profiles of serum and stool metabolites pre- and post-intervention."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Vanquish","COLUMN_NAME":"Waters Acquity UPLC BEH Amide column (150 mm length × 2.1 mm i.d.; 1.7 µm particle size)"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"A Thermo Q-Exactive HF Orbitrap MS instrument was operated in positive and negative ESI mdoes respectively with the following parameters: mass range 60−900 m/z; spray voltage 3.6kV (ESI+) and −3kV (ESI−), sheath gas (nitrogen) flow rate 60 units; auxiliary gas (nitrogen) flow rate 25 units, capillary temperature 320 ◦C, full scan MS1 mass resolving power 60,000, data-dependent MSMS (dd-MSMS) 4 scans per cycle, normalized collision energy at 20%, 30%, and 40%, dd-MSMS mass resolving power 15,000. Thermo Xcalibur 4.0.27.19 was used for data acquisition and analysis. Instruments was tuned and calibrated by manufacturer’s recommendations."},

"MS_METABOLITE_DATA":{
"Units":"normalized peak height",

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time":"1.499","m/z":"439.2217"},{"Metabolite":"Tyr-Arg","KEGG":"C02993","pubchem":"123804","ret time":"9.361","m/z":"338.1822"},{"Metabolite":"Octadecadiynoic acid","KEGG":"No result","pubchem":"1931","ret time":"1.169","m/z":"277.2156"},{"Metabolite":"Ramiprilat","KEGG":"No result","pubchem":"5464096","ret time":"1.48","m/z":"371.1955"},{"Metabolite":"Temazepam glucuronide","KEGG":"No result","pubchem":"76973794","ret time":"6.604","m/z":"477.1058"},{"Metabolite":"Rivaroxaban","KEGG":"D07086","pubchem":"9875401","ret time":"1.262","m/z":"436.0717"},{"Metabolite":"N-acetyl putrescine","KEGG":"C02714","pubchem":"122356","ret time":"6.988","m/z":"131.1178"},{"Metabolite":"Pseudoephedrine","KEGG":"C02765","pubchem":"7028","ret time":"4.746","m/z":"166.1225"},{"Metabolite":"O-Desmethylvenlafaxine","KEGG":"D07793","pubchem":"125017","ret time":"4.034","m/z":"264.1956"},{"Metabolite":"lysoPC 20:4","KEGG":"No result","pubchem":"No result","ret time":"5.539","m/z":"544.3392"},{"Metabolite":"Leu-Leu","KEGG":"No result","pubchem":"6992072","ret time":"6.188","m/z":"245.1861"},{"Metabolite":"N-(Octadecanoyl)sphing-4-enine-1-phosphocholine","KEGG":"No result","pubchem":"5353953","ret time":"5.292","m/z":"731.6053"},{"Metabolite":"His-Pro","KEGG":"No result","pubchem":"11902993","ret time":"6.104","m/z":"235.1188"},{"Metabolite":"Xanthine","KEGG":"C00385","pubchem":"1188","ret time":"5.764","m/z":"153.0405"},{"Metabolite":"Glu-Gly","KEGG":"No result","pubchem":"6427052","ret time":"9.305","m/z":"205.0821"},{"Metabolite":"O-Methyltyramine","KEGG":"No result","pubchem":"4657","ret time":"1.331","m/z":"135.0802"},{"Metabolite":"4-Hydroxyomeprazole sulfide","KEGG":"No result","pubchem":"54055259","ret time":"1.343","m/z":"316.1108"},{"Metabolite":"Decanoyl-L-carnitine","KEGG":"C03299","pubchem":"11953821","ret time":"4.468","m/z":"316.248"},{"Metabolite":"Hexadecanedioic acid","KEGG":"No result","pubchem":"222178","ret time":"1.168","m/z":"251.2001"},{"Metabolite":"Atenolol","KEGG":"D00235","pubchem":"2249","ret time":"5.841","m/z":"267.1702"},{"Metabolite":"Sitagliptin","KEGG":"D08516","pubchem":"4369359","ret time":"4.342","m/z":"408.1249"},{"Metabolite":"His-Leu","KEGG":"C05010","pubchem":"189008","ret time":"8.256","m/z":"269.1609"},{"Metabolite":"Glycyrrhetinic acid","KEGG":"C02283","pubchem":"10114","ret time":"1.204","m/z":"471.346"},{"Metabolite":"Fenofibric acid","KEGG":"No result","pubchem":"64929","ret time":"1.298","m/z":"319.0724"},{"Metabolite":"Nobiletin","KEGG":"C10112","pubchem":"72344","ret time":"1.091","m/z":"403.1378"},{"Metabolite":"4,6-Diamino-5-formamidopyrimidine","KEGG":"C06502","pubchem":"114926","ret time":"5.463","m/z":"154.0721"},{"Metabolite":"N6,N6,N6-Trimethyl-lysine","KEGG":"No result","pubchem":"159659","ret time":"9.359","m/z":"189.1597"},{"Metabolite":"5-Methyl-5,6-Dihydrouracil","KEGG":"C00906","pubchem":"93556","ret time":"4.452","m/z":"129.0657"},{"Metabolite":"N-Oleoyl-erythro-sphingosylphosphorylcholine","KEGG":"No result","pubchem":"6443882","ret time":"5.254","m/z":"729.5904"},{"Metabolite":"threo-Dihydrobupropion","KEGG":"No result","pubchem":"9834682","ret time":"2.973","m/z":"242.1302"},{"Metabolite":"1,7-Dimethyluric acid","KEGG":"C16356","pubchem":"91611","ret time":"4.485","m/z":"197.0667"},{"Metabolite":"S-Sulfocysteine","KEGG":"C05824","pubchem":"115015","ret time":"8.139","m/z":"201.9837"},{"Metabolite":"Hydroxymetoprolol","KEGG":"No result","pubchem":"114962","ret time":"5.178","m/z":"284.1854"},{"Metabolite":"Carisoprodol","KEGG":"C07927","pubchem":"2576","ret time":"1.099","m/z":"261.1804"},{"Metabolite":"Adenosine","KEGG":"No result","pubchem":"447270","ret time":"5.142","m/z":"268.1041"},{"Metabolite":"Linoleic acid","KEGG":"C01595","pubchem":"5280450","ret time":"1.147","m/z":"281.247"},{"Metabolite":"Phe-Arg","KEGG":"No result","pubchem":"150903","ret time":"8.871","m/z":"322.1876"},{"Metabolite":"7-Methylxanthine","KEGG":"C16353","pubchem":"68374","ret time":"3.742","m/z":"167.056"},{"Metabolite":"Trazodone","KEGG":"C07156","pubchem":"5533","ret time":"2.721","m/z":"372.158"},{"Metabolite":"Nortriptyline","KEGG":"C07274","pubchem":"4543","ret time":"2.766","m/z":"264.1743"},{"Metabolite":"4-Aminophenol","KEGG":"C02372","pubchem":"13283155","ret time":"1.385","m/z":"110.0597"},{"Metabolite":"Venlafaxine","KEGG":"C07187","pubchem":"5656","ret time":"2.675","m/z":"278.2111"},{"Metabolite":"Losartan","KEGG":"C07072","pubchem":"3961","ret time":"1.372","m/z":"423.1685"},{"Metabolite":"1-Oleoyl-glycero-3-phosphoethanolamine","KEGG":"No result","pubchem":"58177709","ret time":"5.819","m/z":"480.3083"},{"Metabolite":"Glu-Pro","KEGG":"No result","pubchem":"194260","ret time":"1.323","m/z":"245.1145"},{"Metabolite":"Asn-Pro-Arg","KEGG":"No result","pubchem":"18219245","ret time":"9.744","m/z":"386.2149"},{"Metabolite":"Serotonin","KEGG":"C00780","pubchem":"5202","ret time":"6.027","m/z":"160.0755"},{"Metabolite":"Biliverdin","KEGG":"No result","pubchem":"5280353","ret time":"1.53","m/z":"583.2534"},{"Metabolite":"Hydroxybupropion","KEGG":"No result","pubchem":"9837966","ret time":"3.749","m/z":"256.1095"},{"Metabolite":"Acetyl-carnitine","KEGG":"No result","pubchem":"1","ret time":"7.262","m/z":"204.1229"},{"Metabolite":"Dehydrofelodipine","KEGG":"No result","pubchem":"62970","ret time":"1.887","m/z":"354.0285"},{"Metabolite":"Phe-Leu","KEGG":"No result","pubchem":"7010521","ret time":"5.779","m/z":"279.1702"},{"Metabolite":"Glycocholic acid","KEGG":"C01921","pubchem":"10140","ret time":"6.274","m/z":"466.3165"},{"Metabolite":"Fluconazole","KEGG":"D00322","pubchem":"3365","ret time":"1.426","m/z":"307.1107"},{"Metabolite":"1-Pentadecanoyl-glycero-3-phosphocholine","KEGG":"No result","pubchem":"24779458","ret time":"5.635","m/z":"482.3241"},{"Metabolite":"Pro-Gly","KEGG":"No result","pubchem":"6426709","ret time":"8.396","m/z":"173.092"},{"Metabolite":"trans-Nicotine-1'-oxide","KEGG":"No result","pubchem":"71751018","ret time":"6.409","m/z":"179.1177"},{"Metabolite":"Palmitoyl sphingomyelin","KEGG":"No result","pubchem":"9939941","ret time":"5.294","m/z":"703.5742"},{"Metabolite":"Fexofenadine","KEGG":"C06999","pubchem":"3348","ret time":"4.518","m/z":"502.2945"},{"Metabolite":"7-Hydroxy-3-oxo-4-cholestenoic acid","KEGG":"No result","pubchem":"91746147","ret time":"1.283","m/z":"431.3145"},{"Metabolite":"Pro-Gln","KEGG":"No result","pubchem":"7408109","ret time":"8.784","m/z":"244.1293"},{"Metabolite":"N-alpha-Acetyl-L-arginine","KEGG":"No result","pubchem":"1615663","ret time":"8.21","m/z":"217.1294"},{"Metabolite":"1,2-dioleoyl-glycero-3-phosphatidylcholine","KEGG":"No result","pubchem":"10350317","ret time":"4.599","m/z":"786.5991"},{"Metabolite":"Bupropion","KEGG":"C06860","pubchem":"444","ret time":"2.454","m/z":"240.1146"},{"Metabolite":"1-Heptadecanoyl-glycero-3-phosphocholine","KEGG":"No result","pubchem":"24779463","ret time":"5.574","m/z":"510.3552"},{"Metabolite":"Esomeprazole","KEGG":"D07917","pubchem":"9568614","ret time":"1.486","m/z":"346.1212"},{"Metabolite":"Glycero-3-phosphocholine","KEGG":"C00670","pubchem":"439285","ret time":"8.708","m/z":"258.1103"},{"Metabolite":"Stercobilin","KEGG":"No result","pubchem":"118144","ret time":"5.518","m/z":"595.3487"},{"Metabolite":"3-Hydroxybutyrylcarnitine","KEGG":"No result","pubchem":"90659885","ret time":"7.656","m/z":"248.1493"},{"Metabolite":"Propionylcarnitine","KEGG":"C03017","pubchem":"107738","ret time":"6.491","m/z":"218.1385"},{"Metabolite":"Gabapentin","KEGG":"D00332","pubchem":"3446","ret time":"6.334","m/z":"172.1331"},{"Metabolite":"2-Hydroxyibuprofen","KEGG":"No result","pubchem":"10443535","ret time":"1.323","m/z":"205.1219"},{"Metabolite":"Pantoprazole sulfide","KEGG":"No result","pubchem":"9799341","ret time":"1.128","m/z":"368.0865"},{"Metabolite":"Rizatriptan","KEGG":"D08485","pubchem":"5078","ret time":"5.388","m/z":"270.171"},{"Metabolite":"Noroxycodone","KEGG":"C08019","pubchem":"5284604","ret time":"5.594","m/z":"302.1386"},{"Metabolite":"Scutellarein tetramethyl ether","KEGG":"C14472","pubchem":"96118","ret time":"1.102","m/z":"343.1168"},{"Metabolite":"N5-(1-Iminoethyl)-ornithine","KEGG":"No result","pubchem":"107984","ret time":"9.394","m/z":"174.1238"},{"Metabolite":"Androstan-3-ol-17-one 3-glucuronide","KEGG":"C11136","pubchem":"443078","ret time":"6.122","m/z":"484.2906"},{"Metabolite":"Tangeritin","KEGG":"No result","pubchem":"35028119","ret time":"1.112","m/z":"373.1272"},{"Metabolite":"1-Hexadecyl-glycero-3-phosphocholine","KEGG":"No result","pubchem":"162126","ret time":"5.643","m/z":"482.3601"},{"Metabolite":"Guanidinosuccinic acid","KEGG":"No 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time":"2.406","m/z":"325.1705"},{"Metabolite":"2-Oleoyl-1-palmitoyl-glycero-3-phosphocholine","KEGG":"No result","pubchem":"5497103","ret time":"4.631","m/z":"760.5836"},{"Metabolite":"Arg-Ala","KEGG":"No result","pubchem":"7020333","ret time":"9.726","m/z":"246.1562"},{"Metabolite":"Glycodeoxycholic acid","KEGG":"No result","pubchem":"3493","ret time":"6.387","m/z":"414.3003"},{"Metabolite":"3-Hydroxy-5-cholestenoic acid","KEGG":"C17333","pubchem":"165511","ret time":"1.399","m/z":"399.3248"},{"Metabolite":"Desmethylranitidine","KEGG":"No result","pubchem":"10380064","ret time":"5.786","m/z":"301.1327"},{"Metabolite":"Lithocholylglycine","KEGG":"C15557","pubchem":"115245","ret time":"5.35","m/z":"416.3157"},{"Metabolite":"L-Homocitrulline","KEGG":"No result","pubchem":"231356","ret time":"8.75","m/z":"190.1186"},{"Metabolite":"Asn-Val-Arg","KEGG":"No result","pubchem":"18219342","ret time":"9.473","m/z":"388.2303"},{"Metabolite":"trans-3'-Hydroxycotinine","KEGG":"No result","pubchem":"107963","ret time":"2.089","m/z":"193.0969"},{"Metabolite":"Famotidine","KEGG":"D00318","pubchem":"3325","ret time":"5.842","m/z":"338.0521"},{"Metabolite":"Arg-Gly","KEGG":"No result","pubchem":"142765","ret time":"9.898","m/z":"232.1405"},{"Metabolite":"Cotinine-glucuronide","KEGG":"No result","pubchem":"178540","ret time":"8.95","m/z":"353.1346"},{"Metabolite":"Hydroxychloroquine","KEGG":"C07043","pubchem":"3652","ret time":"6.706","m/z":"336.1835"},{"Metabolite":"Metformin","KEGG":"C07151","pubchem":"4091","ret time":"5.734","m/z":"130.1085"},{"Metabolite":"1-Oleoyl-glycero-3-phosphocholine","KEGG":"No result","pubchem":"16081932","ret time":"5.56","m/z":"522.3552"},{"Metabolite":"Biotin","KEGG":"No result","pubchem":"253","ret time":"3.057","m/z":"245.0952"},{"Metabolite":"Capsaicin","KEGG":"C06866","pubchem":"1548943","ret time":"1.091","m/z":"306.2055"},{"Metabolite":"Irbesartan","KEGG":"C07469","pubchem":"3749","ret time":"1.266","m/z":"429.2388"},{"Metabolite":"trans-Hydroxyglimepiride","KEGG":"No result","pubchem":"No result","ret time":"1.453","m/z":"507.2261"},{"Metabolite":"1-Palmitoyl-2-hydroxy-glycero-3-phosphoethanolamine","KEGG":"No result","pubchem":"58177710","ret time":"5.867","m/z":"454.2925"},{"Metabolite":"Omeprazole sulfone N-oxide","KEGG":"No result","pubchem":"21256701","ret time":"1.497","m/z":"378.1109"},{"Metabolite":"Glipizide","KEGG":"D00335","pubchem":"3478","ret time":"1.281","m/z":"446.1847"},{"Metabolite":"Glibenclamide","KEGG":"C07022","pubchem":"3488","ret time":"1.162","m/z":"494.1499"},{"Metabolite":"Meloxicam","KEGG":"C08169","pubchem":"54677470","ret time":"1.109","m/z":"352.0411"},{"Metabolite":"3'-O-Methylinosine","KEGG":"No result","pubchem":"135121872","ret time":"4.554","m/z":"283.1035"},{"Metabolite":"4-Methyl-5-thiazoleethanol","KEGG":"C04294","pubchem":"1136","ret time":"1.263","m/z":"144.0474"},{"Metabolite":"Octadecanedioic acid","KEGG":"No result","pubchem":"70095","ret time":"1.162","m/z":"315.2521"},{"Metabolite":"Ala-Ala","KEGG":"No result","pubchem":"5460362","ret time":"8.46","m/z":"161.092"},{"Metabolite":"Glycine","KEGG":"C00037","pubchem":"5257127","ret time":"8.513","m/z":"76.0393"},{"Metabolite":"5-Hydroxy-3-indoleacetic acid","KEGG":"C05635","pubchem":"1826","ret time":"1.712","m/z":"192.0653"},{"Metabolite":"Cetraxate","KEGG":"No result","pubchem":"25201854","ret time":"5.202","m/z":"306.1703"},{"Metabolite":"N-Methylalanine","KEGG":"No result","pubchem":"25245686","ret time":"7.836","m/z":"104.0705"},{"Metabolite":"Ethanolamine","KEGG":"C00189","pubchem":"700","ret time":"7.381","m/z":"62.0602"},{"Metabolite":"Putrescine","KEGG":"C00134","pubchem":"1045","ret time":"9.381","m/z":"89.1072"},{"Metabolite":"N-Methylisoleucine","KEGG":"No result","pubchem":"560437","ret time":"6.637","m/z":"146.1176"},{"Metabolite":"Valine","KEGG":"C00183","pubchem":"6287","ret time":"7.85","m/z":"118.0861"},{"Metabolite":"Norleucine","KEGG":"C01933","pubchem":"21236","ret time":"7.121","m/z":"132.1018"},{"Metabolite":"4-Acetylbutyric acid","KEGG":"C02129","pubchem":"18407","ret time":"1.222","m/z":"131.0699"},{"Metabolite":"Actrarit","KEGG":"D01395","pubchem":"2018","ret time":"1.318","m/z":"194.0808"},{"Metabolite":"Galactosamine","KEGG":"C02262","pubchem":"24154","ret time":"8.503","m/z":"180.0865"},{"Metabolite":"Serine","KEGG":"C00065","pubchem":"5951","ret time":"8.788","m/z":"106.0499"},{"Metabolite":"5,6-Dihydrouracil","KEGG":"C00429","pubchem":"649","ret time":"1.744","m/z":"115.05"},{"Metabolite":"Indole-3-carboxaldehyde","KEGG":"C08493","pubchem":"10256","ret time":"1.152","m/z":"146.0597"},{"Metabolite":"Corticosterone","KEGG":"C02140","pubchem":"5753","ret time":"1.186","m/z":"347.221"},{"Metabolite":"Ecgonine","KEGG":"No result","pubchem":"40473221","ret time":"7.712","m/z":"186.1124"},{"Metabolite":"4-Hydroxyquinoline","KEGG":"C06343","pubchem":"69141","ret time":"1.762","m/z":"146.0597"},{"Metabolite":"Nicotinic acid","KEGG":"C00253","pubchem":"938","ret time":"4.214","m/z":"124.0392"},{"Metabolite":"Phloroglucinol","KEGG":"C02183","pubchem":"359","ret time":"1.003","m/z":"127.0386"},{"Metabolite":"5-Methoxytryptophol","KEGG":"No result","pubchem":"12835","ret time":"1.094","m/z":"192.1015"},{"Metabolite":"Alanine","KEGG":"C00041","pubchem":"5950","ret time":"8.216","m/z":"90.0549"},{"Metabolite":"4-Hydroxybenzaldehyde","KEGG":"C00633","pubchem":"126","ret time":"1.068","m/z":"123.0438"},{"Metabolite":"gamma-Glutamylmethionine","KEGG":"No result","pubchem":"7009567","ret time":"8.585","m/z":"279.1009"},{"Metabolite":"N2,N2-Dimethylguanosine","KEGG":"No result","pubchem":"92919","ret time":"5.697","m/z":"312.1301"},{"Metabolite":"Cytidine","KEGG":"C00475","pubchem":"6175","ret time":"7.027","m/z":"244.0928"},{"Metabolite":"Guanine","KEGG":"C00242","pubchem":"764","ret time":"6.61","m/z":"152.0566"},{"Metabolite":"4-Acetamidobutyric acid","KEGG":"C02946","pubchem":"18189","ret time":"2.346","m/z":"146.0809"},{"Metabolite":"3-Hydroxyanthranilic acid","KEGG":"C00632","pubchem":"86","ret time":"1.374","m/z":"154.0496"},{"Metabolite":"Benzoic acid","KEGG":"C00180","pubchem":"20144841","ret time":"0.972","m/z":"123.0437"},{"Metabolite":"N-Methylanthranilic acid","KEGG":"C03005","pubchem":"67069","ret time":"1.107","m/z":"152.0702"},{"Metabolite":"Indolelactic acid","KEGG":"C02043","pubchem":"92904","ret time":"2.303","m/z":"206.0808"},{"Metabolite":"N-Methylleucine","KEGG":"No result","pubchem":"567743","ret time":"6.534","m/z":"146.1175"},{"Metabolite":"Gly-Gly-Gly","KEGG":"No result","pubchem":"11161","ret time":"9.344","m/z":"190.0824"},{"Metabolite":"Taurine","KEGG":"C00245","pubchem":"1123","ret time":"7.893","m/z":"126.022"},{"Metabolite":"N-Acetylmethionine","KEGG":"No result","pubchem":"6180","ret time":"3.353","m/z":"192.0683"},{"Metabolite":"Ala-Ile","KEGG":"No result","pubchem":"7408078","ret time":"7.835","m/z":"203.1391"},{"Metabolite":"Coumarin","KEGG":"C05851","pubchem":"323","ret time":"1.046","m/z":"147.0469"},{"Metabolite":"Monosaccharide","KEGG":"No result","pubchem":"6904","ret time":"8.242","m/z":"203.0525"},{"Metabolite":"Hydroxycholesterol acetate","KEGG":"No result","pubchem":"No result","ret time":"0.96","m/z":"367.3349"},{"Metabolite":"Disaccharide A","KEGG":"C00089","pubchem":"5988","ret time":"8.551","m/z":"365.1053"},{"Metabolite":"Disaccharide B","KEGG":"C00252","pubchem":"439193","ret time":"8.867","m/z":"365.1055"},{"Metabolite":"Trisaccharide A","KEGG":"No result","pubchem":"193471","ret time":"9.326","m/z":"527.1583"},{"Metabolite":"N-Acetyl-lactosamine or Galacto-N-biose","KEGG":"No result","pubchem":"119547","ret time":"8.374","m/z":"406.132"},{"Metabolite":"Cholesterol OR Cholesterol ester fragment","KEGG":"No result","pubchem":"No result","ret time":"0.956","m/z":"369.3506"},{"Metabolite":"Tyrosine","KEGG":"C00082","pubchem":"6057","ret time":"7.776","m/z":"182.0787"},{"Metabolite":"N-Acetyl-hexosamine","KEGG":"No result","pubchem":"84265","ret time":"3.723","m/z":"204.0865"},{"Metabolite":"5-Acetylamino-6-amino-3-methyluracil OR 5-Acetylamino-6-formylamino-3-methyluracil","KEGG":"C16366","pubchem":"88299","ret time":"5.676","m/z":"181.0719"},{"Metabolite":"Butyrylcarnitine OR isobutyrl carnitine","KEGG":"No result","pubchem":"213144","ret time":"5.869","m/z":"232.1543"},{"Metabolite":"Trisaccharide B","KEGG":"No result","pubchem":"92146","ret time":"9.699","m/z":"527.1582"},{"Metabolite":"15-Deoxy-12,14-prostaglandin J2 (or Prostoglandin A2)","KEGG":"C14717","pubchem":"5311211","ret time":"1.197","m/z":"317.2104"},{"Metabolite":"Dodecalactone OR cis-5-Dodecenoic acid","KEGG":"No result","pubchem":"16821","ret time":"1.19","m/z":"181.1581"}]
}

}