{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002323","ANALYSIS_ID":"AN003791","VERSION":"1","CREATED_ON":"October 26, 2022, 11:45 am"},

"PROJECT":{"PROJECT_TITLE":"SETD1A regulates transcriptional pause release of heme biosynthesis genes in leukemia","PROJECT_SUMMARY":"Histone methyltransferase SETD1A is critical for acute myeloid leukemia (AML) cell survival, but the molecular mechanism driving SETD1A gene regulation remains elusive. To delineate the role of SETD1A, we utilize a protein degrader technology to induce rapid SETD1A degradation in AML cell lines. SETD1A degradation results in immediate downregulation of transcripts associated with DNA repair and heme biosynthesis pathways. CRISPR-based functional analyses and metabolomics reveal an essential role of SETD1A to maintain mitochondrial respiration in AML cells. These SETD1A targets are enriched in head-to-head (H2H) genes. SETD1A degradation disrupts a non-enzymatic SETD1A domain-dependent cyclin K function, increases the Ser5P RNA polymerase II (RNAP2) at TSS, and induces the promoter-proximal pausing of RNAP2 in a strand-specific manner. This study reveals a non-enzymatic role for SETD1A in transcriptional pause release and provides insight into the mechanism of RNAP2 pausing and its function in cancer.","INSTITUTE":"Chiba University","LAST_NAME":"Hoshii","FIRST_NAME":"Takayuki","ADDRESS":"1-8-1 Inohana Chuo-ku, Chiba, Chiba, 2608670, Japan","EMAIL":"hoshiit@chiba-u.jp","PHONE":"81432262039"},

"STUDY":{"STUDY_TITLE":"SETD1A regulates transcriptional pause release of heme biosynthesis genes in leukemia","STUDY_SUMMARY":"Histone methyltransferase SETD1A is critical for acute myeloid leukemia (AML) cell survival, but the molecular mechanism driving SETD1A gene regulation remains elusive. To delineate the role of SETD1A, we utilize a protein degrader technology to induce rapid SETD1A degradation in AML cell lines. SETD1A degradation results in immediate downregulation of transcripts associated with DNA repair and heme biosynthesis pathways. CRISPR-based functional analyses and metabolomics reveal an essential role of SETD1A to maintain mitochondrial respiration in AML cells. These SETD1A targets are enriched in head-to-head (H2H) genes. SETD1A degradation disrupts a non-enzymatic SETD1A domain-dependent cyclin K function, increases the Ser5P RNA polymerase II (RNAP2) at TSS, and induces the promoter-proximal pausing of RNAP2 in a strand-specific manner. This study reveals a non-enzymatic role for SETD1A in transcriptional pause release and provides insight into the mechanism of RNAP2 pausing and its function in cancer.","INSTITUTE":"Chiba University","LAST_NAME":"Hoshii","FIRST_NAME":"Takayuki","ADDRESS":"1-8-1 Inohana Chuo-ku, Chiba, Chiba, 2608670, Japan","EMAIL":"hoshiit@chiba-u.jp","PHONE":"81432262039"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","CELL_STRAIN_DETAILS":"MOLM-13 cells expressing FKBPF36V-tagged SETD1A"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"1",
"Factors":{"Condition":"DMSO_24h"}
},
{
"Subject ID":"-",
"Sample ID":"2",
"Factors":{"Condition":"DMSO_24h"}
},
{
"Subject ID":"-",
"Sample ID":"3",
"Factors":{"Condition":"DMSO_24h"}
},
{
"Subject ID":"-",
"Sample ID":"4",
"Factors":{"Condition":"dTAG-13_24h"}
},
{
"Subject ID":"-",
"Sample ID":"5",
"Factors":{"Condition":"dTAG-13_24h"}
},
{
"Subject ID":"-",
"Sample ID":"6",
"Factors":{"Condition":"dTAG-13_24h"}
},
{
"Subject ID":"-",
"Sample ID":"7",
"Factors":{"Condition":"DMSO_48h"}
},
{
"Subject ID":"-",
"Sample ID":"8",
"Factors":{"Condition":"DMSO_48h"}
},
{
"Subject ID":"-",
"Sample ID":"9",
"Factors":{"Condition":"DMSO_48h"}
},
{
"Subject ID":"-",
"Sample ID":"10",
"Factors":{"Condition":"dTAG-13_48h"}
},
{
"Subject ID":"-",
"Sample ID":"11",
"Factors":{"Condition":"dTAG-13_48h"}
},
{
"Subject ID":"-",
"Sample ID":"12",
"Factors":{"Condition":"dTAG-13_48h"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Metabolomic profiling was conducted for triplicated DMSO/dTAG-13 treated leukemia cell extracts via capillary electrophoresis time-of-flight mass spectrometry (CE-TOFMS) by using Agilent 7100 CE capillary electrophoresis (Agilent Technologies), the Agilent 6230 LC/MSD TOF system (Agilent Technologies), an Agilent1100 series binary HPLC pump, and the G1603A Agilent CE-MS adapter- and G1607A Agilent CE-ESI-MS sprayer kit.","SAMPLE_TYPE":"Leukemia cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"Cells were treated with dTAG-13 for 24 h or 48 h.","TREATMENT_COMPOUND":"dTAG-13"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"For anionic metabolite analysis, the original Agilent stainless ESI needle was replaced with the Agilent G7100-60041 platinum ESI needle. System control and data acquisition were performed by Agilent MassHunter Workstation, and data analysis was done by Keio MasterHands software. For cationic metabolite analysis, separations were carried out in a fused silica capillary (50 µm i.d. x 100 cm total length) filled with 1 M formic acid as the electrolyte. Approximately 5 nL of sample solution were injected at 50 mbar for 5 sec and 30 kV of voltage was applied. The capillary temperature was maintained at 20 ºC and the sample tray was cooled below 5 ºC. Methanol-water (50 % v/v) containing 0.01 µM Hexakis(2,2-difluoroethoxy)phosphazene was delivered as the sheath liquid at 10 µL/min."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"For cationic metabolite analysis, separations were carried out in a fused silica capillary (50 µm i.d. x 100 cm total length) filled with 1 M formic acid as the electrolyte. Approximately 5 nL of sample solution were injected at 50 mbar for 5 sec and 30 kV of voltage was applied. The capillary temperature was maintained at 20 ºC and the sample tray was cooled below 5 ºC. Methanol-water (50 % v/v) containing 0.01 µM Hexakis(2,2-difluoroethoxy)phosphazene was delivered as the sheath liquid at 10 µL/min.","CHROMATOGRAPHY_TYPE":"CE","INSTRUMENT_NAME":"Agilent 7100 CE","COLUMN_NAME":"COSMO(+) (chemically coated with cationic polymer) capillary (50 µm i.d. x 105cm total length) (Nacalai Tesque, Kyoto, Japan)"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6230 TOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Electrospray ionization (ESI)-time-of-flight mass spectrometry (TOFMS) was conducted in the positive ion mode and the capillary voltage was set at 4,000V. A flow rate of heated dry nitrogen gas (heater temperature 300 ºC) was maintained at 7 psig. In TOFMS, the fragmentor-, skimmer-, and Oct RFV voltage was set at 75 V, 50 V, and 500V, respectively. Automatic recalibration of each acquired spectrum was performed using reference masses of reference standards. The 13C isotopic ion of a protonated methanol dimer ([2MeOH+H]+, m/z 66.0631) and Hexakis(2,2-difluoroethoxy)phosphazene ([M+H]+, m/z 622.0290) provided the lock mass for exact mass measurements."},

"MS_METABOLITE_DATA":{
"Units":"fmol/cell",

"Data":[{"Metabolite":"Urea","1":"0.68","2":"0.77","3":"0.83","4":"0.74","5":"0.59","6":"0.86","7":"0.69","8":"0.85","9":"0.79","10":"0.70","11":"0.58","12":"0.91"},{"Metabolite":"Pyrazole","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D."},{"Metabolite":"3-Aminopropionitrile","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D."},{"Metabolite":"Methylguanidine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D."},{"Metabolite":"Isobutylamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D."},{"Metabolite":"1,3-Diaminopropane","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D."},{"Metabolite":"Gly","1":"1.5","2":"1.4","3":"1.6","4":"1.6","5":"1.5","6":"1.6","7":"1.3","8":"1.8","9":"1.8","10":"1.2","11":"1.7","12":"1.4"},{"Metabolite":"Trimethylamine 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m/z":"104.0708","Ave CorMT":"10.43"},{"Metabolite":"3-Aminoisobutyrate","Ave m/z":"104.0711","Ave CorMT":"10.61"},{"Metabolite":"2AB","Ave m/z":"104.0708","Ave CorMT":"12.86"},{"Metabolite":"N-Methylalanine","Ave m/z":"104.0710","Ave CorMT":"13.63"},{"Metabolite":"N,N-Dimethylglycine","Ave m/z":"104.0708","Ave CorMT":"14.41"},{"Metabolite":"Choline","Ave m/z":"104.1072","Ave CorMT":"9.38"},{"Metabolite":"2,3-Diaminopropionate","Ave m/z":"105.0661","Ave CorMT":"9.72"},{"Metabolite":"Ser","Ave m/z":"106.0498","Ave CorMT":"13.26"},{"Metabolite":"Diethanolamine","Ave m/z":"106.0867","Ave CorMT":"10.38"},{"Metabolite":"N-Methylaniline","Ave m/z":"108.0814","Ave CorMT":"10.06"},{"Metabolite":"beta-Ala-Lys","Ave m/z":"109.5799","Ave CorMT":"9.21"},{"Metabolite":"Hypotaurine","Ave m/z":"110.0272","Ave CorMT":"22.57"},{"Metabolite":"2-Aminophenol","Ave m/z":"110.0605","Ave CorMT":"10.59"},{"Metabolite":"Cytosine","Ave m/z":"112.0509","Ave CorMT":"9.87"},{"Metabolite":"Histamine","Ave m/z":"112.0872","Ave CorMT":"6.64"},{"Metabolite":"Uracil","Ave m/z":"113.0344","Ave CorMT":"26.38"},{"Metabolite":"Carnosine","Ave m/z":"114.0611","Ave CorMT":"9.25"},{"Metabolite":"Creatinine","Ave m/z":"114.0664","Ave CorMT":"9.94"},{"Metabolite":"Muscimol","Ave m/z":"115.0503","Ave CorMT":"10.51"},{"Metabolite":"beta-Cyanoalanine","Ave m/z":"115.0501","Ave CorMT":"18.14"},{"Metabolite":"Dihydrouracil","Ave m/z":"115.0385","Ave CorMT":"26.40"},{"Metabolite":"Pro","Ave m/z":"116.0712","Ave CorMT":"14.27"},{"Metabolite":"Guanidinoacetate","Ave m/z":"118.0611","Ave CorMT":"11.10"},{"Metabolite":"5-Aminovalerate","Ave m/z":"118.0866","Ave CorMT":"10.86"},{"Metabolite":"Val","Ave m/z":"118.0866","Ave CorMT":"13.33"},{"Metabolite":"Betaine","Ave m/z":"118.0864","Ave CorMT":"14.81"},{"Metabolite":"Benzimidazole","Ave m/z":"119.0612","Ave CorMT":"9.76"},{"Metabolite":"2,4-Diaminobutyrate","Ave m/z":"119.0818","Ave CorMT":"9.41"},{"Metabolite":"4-Amino-3-hydroxybutyrate","Ave m/z":"120.0656","Ave CorMT":"10.95"},{"Metabolite":"Homoserine","Ave m/z":"120.0657","Ave CorMT":"13.38"},{"Metabolite":"Alpha-Methylserine","Ave m/z":"120.0657","Ave CorMT":"13.74"},{"Metabolite":"Thr","Ave m/z":"120.0656","Ave CorMT":"13.90"},{"Metabolite":"Purine","Ave m/z":"121.0517","Ave CorMT":"10.94"},{"Metabolite":"Anserine","Ave m/z":"121.0698","Ave CorMT":"9.35"},{"Metabolite":"Homocarnosine","Ave m/z":"121.0697","Ave CorMT":"9.44"},{"Metabolite":"Benzamidine","Ave m/z":"121.0766","Ave CorMT":"10.38"},{"Metabolite":"Cys","Ave m/z":"122.0277","Ave CorMT":"14.85"},{"Metabolite":"Benzamide","Ave m/z":"122.0584","Ave CorMT":"26.27"},{"Metabolite":"Phenethylamine","Ave m/z":"122.0969","Ave CorMT":"10.49"},{"Metabolite":"alpha-Methylbenzylamine","Ave m/z":"122.0970","Ave CorMT":"10.81"},{"Metabolite":"2,4-Dimethylaniline","Ave m/z":"122.0970","Ave CorMT":"11.00"},{"Metabolite":"Isonicotinamide","Ave m/z":"123.0556","Ave CorMT":"9.96"},{"Metabolite":"Nicotinamide","Ave m/z":"123.0559","Ave CorMT":"10.05"},{"Metabolite":"Picolinamide","Ave m/z":"123.0556","Ave CorMT":"13.67"},{"Metabolite":"N1-Acetylspermine","Ave m/z":"123.1218","Ave CorMT":"7.72"},{"Metabolite":"3-Chloroalanine","Ave m/z":"124.0161","Ave CorMT":"16.77"},{"Metabolite":"Taurine","Ave m/z":"126.0220","Ave CorMT":"26.37"},{"Metabolite":"5-Methylcytosine","Ave m/z":"126.0666","Ave CorMT":"10.55"},{"Metabolite":"1-Methylhistamine","Ave m/z":"126.1033","Ave CorMT":"6.84"},{"Metabolite":"Imidazole-4-acetate","Ave m/z":"127.0505","Ave CorMT":"10.83"},{"Metabolite":"Thymine","Ave m/z":"127.0510","Ave CorMT":"26.65"},{"Metabolite":"Melamine","Ave m/z":"127.0730","Ave CorMT":"10.32"},{"Metabolite":"1-Amino-1-cyclopentanecarboxylate","Ave m/z":"130.0869","Ave CorMT":"12.81"},{"Metabolite":"Pipecolate","Ave m/z":"130.0868","Ave CorMT":"13.64"},{"Metabolite":"Metformin","Ave m/z":"130.1089","Ave CorMT":"7.79"},{"Metabolite":"Octylamine","Ave m/z":"130.1598","Ave CorMT":"11.29"},{"Metabolite":"N-Acetylputrescine","Ave m/z":"131.1183","Ave CorMT":"11.38"},{"Metabolite":"Agmatine","Ave m/z":"131.1297","Ave CorMT":"7.16"},{"Metabolite":"Hydroxyproline","Ave m/z":"132.0660","Ave CorMT":"15.71"},{"Metabolite":"5-Aminolevulinate","Ave m/z":"132.0661","Ave CorMT":"10.80"},{"Metabolite":"Creatine","Ave m/z":"132.0773","Ave CorMT":"11.91"},{"Metabolite":"6-Aminohexanoate","Ave m/z":"132.1025","Ave CorMT":"11.27"},{"Metabolite":"beta-Leucine","Ave m/z":"132.1026","Ave CorMT":"11.73"},{"Metabolite":"Ile","Ave m/z":"132.1024","Ave CorMT":"13.56"},{"Metabolite":"Leu","Ave m/z":"132.1024","Ave CorMT":"13.69"},{"Metabolite":"Bis(3-aminopropyl)amine","Ave m/z":"132.1503","Ave CorMT":"6.08"},{"Metabolite":"Gly-Gly","Ave m/z":"133.0632","Ave CorMT":"11.27"},{"Metabolite":"Asn","Ave m/z":"133.0610","Ave CorMT":"13.85"},{"Metabolite":"Ornithine","Ave m/z":"133.0972","Ave CorMT":"9.32"},{"Metabolite":"Asp","Ave m/z":"134.0450","Ave CorMT":"15.13"},{"Metabolite":"2-Aminobenzimidazole","Ave m/z":"134.0719","Ave CorMT":"10.18"},{"Metabolite":"Homocysteine","Ave m/z":"136.0431","Ave CorMT":"13.87"},{"Metabolite":"Adenine","Ave m/z":"136.0625","Ave CorMT":"10.32"},{"Metabolite":"Hypoxanthine","Ave m/z":"137.0460","Ave CorMT":"14.55"},{"Metabolite":"1-Methylnicotinamide","Ave m/z":"137.0717","Ave CorMT":"9.99"},{"Metabolite":"p-Aminobenzoate","Ave m/z":"138.0550","Ave CorMT":"12.87"},{"Metabolite":"Trigonelline","Ave m/z":"138.0551","Ave CorMT":"13.85"},{"Metabolite":"Anthranilate","Ave m/z":"138.0552","Ave CorMT":"14.00"},{"Metabolite":"Phenylethanolamine","Ave m/z":"138.0913","Ave CorMT":"11.03"},{"Metabolite":"Tyramine","Ave m/z":"138.0916","Ave CorMT":"11.16"},{"Metabolite":"Urocanate","Ave m/z":"139.0527","Ave CorMT":"11.17"},{"Metabolite":"6-Hydroxynicotinate","Ave m/z":"140.0345","Ave CorMT":"27.18"},{"Metabolite":"Tropinone","Ave m/z":"140.1075","Ave CorMT":"10.27"},{"Metabolite":"Histidinol","Ave m/z":"142.0979","Ave CorMT":"7.37"},{"Metabolite":"Tropine","Ave m/z":"142.1236","Ave CorMT":"10.87"},{"Metabolite":"Ectoine","Ave m/z":"143.0818","Ave CorMT":"12.62"},{"Metabolite":"4-Methyl-5-thiazoleethanol","Ave m/z":"144.0484","Ave CorMT":"10.85"},{"Metabolite":"Proline betaine","Ave m/z":"144.1022","Ave CorMT":"15.14"},{"Metabolite":"N1,N12-Diacetylspermine","Ave m/z":"144.1274","Ave CorMT":"10.27"},{"Metabolite":"gamma-Guanidinobutyrate","Ave m/z":"146.0930","Ave CorMT":"11.16"},{"Metabolite":"Acetylcholine","Ave m/z":"146.1209","Ave CorMT":"10.33"},{"Metabolite":"gamma-Butyrobetaine","Ave m/z":"146.1183","Ave CorMT":"10.95"},{"Metabolite":"Lysinamide","Ave m/z":"146.1293","Ave CorMT":"7.84"},{"Metabolite":"Spermidine","Ave m/z":"146.1641","Ave CorMT":"6.31"},{"Metabolite":"Gln","Ave m/z":"147.0764","Ave CorMT":"14.20"},{"Metabolite":"5,6-Dimethylbenzimidazole","Ave m/z":"147.0925","Ave CorMT":"10.82"},{"Metabolite":"Lys","Ave m/z":"147.1129","Ave CorMT":"9.41"},{"Metabolite":"Trientine","Ave m/z":"147.1608","Ave CorMT":"5.86"},{"Metabolite":"Glu","Ave m/z":"148.0617","Ave CorMT":"14.42"},{"Metabolite":"O-Acetylserine","Ave m/z":"148.0609","Ave CorMT":"16.40"},{"Metabolite":"Nornicotine","Ave m/z":"149.1077","Ave CorMT":"7.17"},{"Metabolite":"Met","Ave m/z":"150.0585","Ave CorMT":"14.17"},{"Metabolite":"3-Methyladenine","Ave m/z":"150.0778","Ave CorMT":"10.52"},{"Metabolite":"6-Methylaminopurine","Ave m/z":"150.0776","Ave CorMT":"11.00"},{"Metabolite":"Guanine","Ave m/z":"152.0567","Ave CorMT":"11.18"},{"Metabolite":"Amantadine","Ave m/z":"152.1444","Ave CorMT":"11.58"},{"Metabolite":"Xanthine","Ave m/z":"153.0404","Ave CorMT":"23.96"},{"Metabolite":"4-Aminosalicylate","Ave m/z":"154.0501","Ave CorMT":"16.71"},{"Metabolite":"3-Hydroxyanthranilate","Ave m/z":"154.0502","Ave CorMT":"14.29"},{"Metabolite":"Dopamine","Ave m/z":"154.0868","Ave CorMT":"11.70"},{"Metabolite":"4-(beta-Acetylaminoethyl)imidazole","Ave m/z":"154.0979","Ave CorMT":"11.36"},{"Metabolite":"Pseudopelletierine","Ave m/z":"154.1232","Ave CorMT":"10.70"},{"Metabolite":"His","Ave m/z":"156.0768","Ave CorMT":"9.93"},{"Metabolite":"beta-Imidazolelactate","Ave m/z":"157.0625","Ave CorMT":"11.86"},{"Metabolite":"Ibotenate","Ave m/z":"159.0403","Ave CorMT":"22.68"},{"Metabolite":"Allantoin","Ave m/z":"159.0507","Ave CorMT":"26.41"},{"Metabolite":"Indole-3-acetaldehyde","Ave m/z":"160.0727","Ave CorMT":"26.40"},{"Metabolite":"Betonicine","Ave m/z":"160.0972","Ave CorMT":"16.99"},{"Metabolite":"N-Acetylvaline","Ave m/z":"160.0973","Ave CorMT":"27.23"},{"Metabolite":"Ala-Ala","Ave m/z":"161.0926","Ave CorMT":"12.39"},{"Metabolite":"Tryptamine","Ave m/z":"161.1080","Ave CorMT":"11.20"},{"Metabolite":"alpha-Aminoadipate","Ave m/z":"162.0755","Ave CorMT":"14.46"},{"Metabolite":"N-Methylglutamate","Ave m/z":"162.0763","Ave CorMT":"16.42"},{"Metabolite":"Indole-3-ethanol","Ave m/z":"162.0913","Ave CorMT":"26.62"},{"Metabolite":"Carnitine","Ave m/z":"162.1127","Ave CorMT":"11.47"},{"Metabolite":"2-Deoxystreptamine","Ave m/z":"163.1082","Ave CorMT":"8.30"},{"Metabolite":"5-Hydroxylysine","Ave m/z":"163.1081","Ave CorMT":"9.73"},{"Metabolite":"Nicotine","Ave m/z":"163.1240","Ave CorMT":"7.38"},{"Metabolite":"Pterin","Ave m/z":"164.0571","Ave CorMT":"13.52"},{"Metabolite":"S-Methylmethionine","Ave m/z":"164.0739","Ave CorMT":"9.92"},{"Metabolite":"Methionine sulfoxide","Ave m/z":"166.0538","Ave CorMT":"15.50"},{"Metabolite":"7-Methylguanine","Ave m/z":"166.0726","Ave CorMT":"11.09"},{"Metabolite":"3-Methylguanine","Ave m/z":"166.0726","Ave CorMT":"11.29"},{"Metabolite":"Phe","Ave m/z":"166.0867","Ave CorMT":"14.60"},{"Metabolite":"Taurocyamine","Ave m/z":"168.0497","Ave CorMT":"26.64"},{"Metabolite":"Pyridoxal","Ave m/z":"168.0659","Ave CorMT":"11.78"},{"Metabolite":"3-Methoxytyramine","Ave m/z":"168.1024","Ave CorMT":"11.87"},{"Metabolite":"Synephrine","Ave m/z":"168.1025","Ave CorMT":"12.02"},{"Metabolite":"Pyridoxamine","Ave m/z":"169.0981","Ave CorMT":"8.19"},{"Metabolite":"Pyridoxine","Ave m/z":"170.0819","Ave CorMT":"11.61"},{"Metabolite":"Noradrenaline","Ave m/z":"170.0817","Ave CorMT":"12.12"},{"Metabolite":"3-Methylhistidine","Ave m/z":"170.0925","Ave CorMT":"10.17"},{"Metabolite":"Indole-3-acetamide","Ave m/z":"175.0854","Ave CorMT":"26.57"},{"Metabolite":"N-Acetylornithine","Ave m/z":"175.1083","Ave CorMT":"12.77"},{"Metabolite":"N-gamma-Ethylglutamine","Ave m/z":"175.1082","Ave CorMT":"15.07"},{"Metabolite":"Arg","Ave m/z":"175.1198","Ave CorMT":"9.70"},{"Metabolite":"Gramine","Ave m/z":"175.1238","Ave CorMT":"11.33"},{"Metabolite":"N-omega-Methyltryptamine","Ave m/z":"175.1238","Ave CorMT":"11.56"},{"Metabolite":"Guanidinosuccinate","Ave m/z":"176.0667","Ave CorMT":"13.42"},{"Metabolite":"Indole-3-acetate","Ave m/z":"176.0729","Ave CorMT":"26.56"},{"Metabolite":"2-Guanidinobenzimidazole","Ave m/z":"176.0937","Ave CorMT":"11.04"},{"Metabolite":"Citrulline","Ave m/z":"176.1026","Ave CorMT":"14.56"},{"Metabolite":"Canavanine","Ave m/z":"177.0988","Ave CorMT":"10.06"},{"Metabolite":"Serotonin","Ave m/z":"177.1023","Ave CorMT":"11.78"},{"Metabolite":"Alliin","Ave m/z":"178.0532","Ave CorMT":"18.12"},{"Metabolite":"Cys-Gly","Ave m/z":"179.0488","Ave CorMT":"12.33"},{"Metabolite":"Xanthopterin","Ave m/z":"180.0516","Ave CorMT":"16.99"},{"Metabolite":"Mannosamine","Ave m/z":"180.0869","Ave CorMT":"12.24"},{"Metabolite":"Glucosamine","Ave m/z":"180.0866","Ave CorMT":"12.39"},{"Metabolite":"n-Butyl a-Picolinate","Ave m/z":"180.1028","Ave CorMT":"13.79"},{"Metabolite":"Methionine sulfoximine","Ave m/z":"181.0649","Ave CorMT":"11.35"},{"Metabolite":"Tyr","Ave m/z":"182.0815","Ave CorMT":"14.92"},{"Metabolite":"Harman","Ave m/z":"183.0929","Ave CorMT":"11.56"},{"Metabolite":"Phosphorylcholine","Ave m/z":"184.0735","Ave CorMT":"25.05"},{"Metabolite":"Epinephrine","Ave m/z":"184.0972","Ave CorMT":"12.44"},{"Metabolite":"N-alpha,N-alpha-Dimethylhistidine","Ave m/z":"184.1088","Ave CorMT":"11.19"},{"Metabolite":"N8-Acetylspermidine","Ave m/z":"188.1768","Ave CorMT":"8.81"},{"Metabolite":"N1-Acetylspermidine","Ave m/z":"188.1770","Ave CorMT":"8.71"},{"Metabolite":"Gly-Leu","Ave m/z":"189.1244","Ave CorMT":"12.95"},{"Metabolite":"N-epsilon-Acetyllysine","Ave m/z":"189.1241","Ave CorMT":"15.02"},{"Metabolite":"N6,N6,N6-Trimethyllysine","Ave m/z":"189.1608","Ave CorMT":"9.79"},{"Metabolite":"Castanospermine","Ave m/z":"190.1080","Ave CorMT":"12.25"},{"Metabolite":"5-Methoxytryptamine","Ave m/z":"191.1187","Ave CorMT":"11.81"},{"Metabolite":"5-Hydroxyindoleacetate","Ave m/z":"192.0622","Ave CorMT":"26.86"},{"Metabolite":"SAH","Ave m/z":"193.0700","Ave CorMT":"11.74"},{"Metabolite":"Glucosaminate","Ave m/z":"196.0816","Ave CorMT":"15.58"},{"Metabolite":"DOPA","Ave m/z":"198.0763","Ave CorMT":"15.30"},{"Metabolite":"N-Acetylhistidine","Ave m/z":"198.0880","Ave CorMT":"13.07"},{"Metabolite":"SAM+","Ave m/z":"200.0775","Ave CorMT":"9.70"},{"Metabolite":"Arginine ethyl ester","Ave m/z":"203.1519","Ave CorMT":"8.51"},{"Metabolite":"ADMA","Ave m/z":"203.1514","Ave CorMT":"10.40"},{"Metabolite":"SDMA","Ave m/z":"203.1513","Ave CorMT":"10.56"},{"Metabolite":"o-Acetylcarnitine","Ave m/z":"204.1227","Ave CorMT":"12.14"},{"Metabolite":"Trp","Ave m/z":"205.0973","Ave CorMT":"14.51"},{"Metabolite":"5-Methoxyindoleacetate","Ave m/z":"206.0814","Ave CorMT":"26.60"},{"Metabolite":"Kynurenine","Ave m/z":"209.0931","Ave CorMT":"13.12"},{"Metabolite":"Cysteine-glutathione disulphide","Ave m/z":"214.0532","Ave CorMT":"15.25"},{"Metabolite":"Desthiobiotin","Ave m/z":"215.1386","Ave CorMT":"26.73"},{"Metabolite":"o-Succinylhomoserine","Ave m/z":"220.0816","Ave CorMT":"27.38"},{"Metabolite":"trans-Zeatin","Ave m/z":"220.1202","Ave CorMT":"12.85"},{"Metabolite":"5-Hydroxytryptophan","Ave m/z":"221.0926","Ave CorMT":"14.88"},{"Metabolite":"N-Acetylglucosylamine","Ave m/z":"221.1136","Ave CorMT":"13.21"},{"Metabolite":"N-Acetylglucosamine","Ave m/z":"222.0888","Ave CorMT":"26.54"},{"Metabolite":"Cystathionine","Ave m/z":"223.0754","Ave CorMT":"13.17"},{"Metabolite":"3-Hydroxykynurenine","Ave m/z":"225.0879","Ave CorMT":"12.93"},{"Metabolite":"2'-Deoxycytidine","Ave m/z":"228.0984","Ave CorMT":"12.58"},{"Metabolite":"N1,N8-Diacetylspermidine","Ave m/z":"230.1878","Ave CorMT":"13.61"},{"Metabolite":"gamma-Glu-2AB","Ave m/z":"233.1138","Ave CorMT":"16.28"},{"Metabolite":"Melatonin","Ave m/z":"233.1286","Ave CorMT":"26.52"},{"Metabolite":"Sepiapterin","Ave m/z":"238.0939","Ave CorMT":"22.50"},{"Metabolite":"7,8-Dihydrobiopterin","Ave m/z":"240.1095","Ave CorMT":"14.45"},{"Metabolite":"Cystine","Ave m/z":"241.0314","Ave CorMT":"14.48"},{"Metabolite":"5-Methyl-2'-deoxycytidine","Ave m/z":"242.1146","Ave CorMT":"13.00"},{"Metabolite":"Thymidine","Ave m/z":"243.1182","Ave CorMT":"26.70"},{"Metabolite":"Cytidine","Ave m/z":"244.0937","Ave CorMT":"12.88"},{"Metabolite":"Uridine","Ave m/z":"245.0801","Ave CorMT":"26.60"},{"Metabolite":"Octopine","Ave m/z":"247.1407","Ave CorMT":"14.16"},{"Metabolite":"Pyridoxamine 5'-phosphate","Ave m/z":"249.0641","Ave CorMT":"13.84"},{"Metabolite":"gamma-Glu-cys","Ave m/z":"251.0701","Ave CorMT":"16.62"},{"Metabolite":"Muramate","Ave m/z":"252.1084","Ave CorMT":"14.45"},{"Metabolite":"5'-Deoxyadenosine","Ave m/z":"252.1100","Ave CorMT":"12.90"},{"Metabolite":"Purine riboside","Ave m/z":"253.0941","Ave CorMT":"16.36"},{"Metabolite":"2'-Deoxyinosine","Ave m/z":"253.0928","Ave CorMT":"22.45"},{"Metabolite":"7,8-Dihydroneopterin","Ave m/z":"256.1027","Ave CorMT":"14.63"},{"Metabolite":"Glycerophosphorylcholine","Ave m/z":"258.1105","Ave CorMT":"26.15"},{"Metabolite":"Thiamine","Ave m/z":"265.1128","Ave CorMT":"9.06"},{"Metabolite":"N6-Methyl-2'-deoxyadenosine","Ave m/z":"266.1262","Ave CorMT":"13.31"},{"Metabolite":"Adenosine","Ave m/z":"268.1051","Ave CorMT":"13.12"},{"Metabolite":"2'-Deoxyguanosine","Ave m/z":"268.1046","Ave CorMT":"15.04"},{"Metabolite":"Homocystine","Ave m/z":"269.0628","Ave CorMT":"12.81"},{"Metabolite":"Inosine","Ave m/z":"269.0885","Ave CorMT":"23.95"},{"Metabolite":"Glu-Glu","Ave m/z":"277.1040","Ave CorMT":"14.37"},{"Metabolite":"Saccharopine","Ave m/z":"277.1404","Ave CorMT":"14.19"},{"Metabolite":"1-Methyladenosine","Ave m/z":"282.1211","Ave CorMT":"13.24"},{"Metabolite":"Guanosine","Ave m/z":"284.0999","Ave CorMT":"16.23"},{"Metabolite":"Xanthosine","Ave m/z":"285.0835","Ave CorMT":"25.49"},{"Metabolite":"Ophthalmate","Ave m/z":"290.1358","Ave CorMT":"17.07"},{"Metabolite":"Argininosuccinate","Ave m/z":"291.1310","Ave CorMT":"12.58"},{"Metabolite":"5-Methylthioadenosine","Ave m/z":"298.0973","Ave CorMT":"13.40"},{"Metabolite":"Glutathione(ox)","Ave m/z":"307.0861","Ave CorMT":"15.88"},{"Metabolite":"N-alpha-Benzenolarginine ethylester","Ave m/z":"307.1784","Ave CorMT":"13.93"},{"Metabolite":"3-Iodotyrosine","Ave m/z":"307.9787","Ave CorMT":"15.73"},{"Metabolite":"Glutathione(red)","Ave m/z":"308.1027","Ave CorMT":"17.12"},{"Metabolite":"Phe-Phe","Ave m/z":"313.1565","Ave CorMT":"14.42"},{"Metabolite":"AICAR","Ave m/z":"339.0717","Ave CorMT":"26.80"},{"Metabolite":"Thiamine monophosphate","Ave m/z":"345.0793","Ave CorMT":"14.20"},{"Metabolite":"Tetrahydropalmatine","Ave m/z":"356.1872","Ave CorMT":"14.65"},{"Metabolite":"TRH","Ave m/z":"363.1793","Ave CorMT":"14.23"},{"Metabolite":"Riboflavin","Ave m/z":"377.1470","Ave CorMT":"26.51"},{"Metabolite":"S-Lactoylglutathione","Ave m/z":"380.1132","Ave CorMT":"17.71"},{"Metabolite":"Leu-Leu-Tyr","Ave m/z":"408.2519","Ave CorMT":"15.57"},{"Metabolite":"3,5-Diiodo-tyrosine","Ave m/z":"433.8760","Ave CorMT":"16.33"},{"Metabolite":"5-Methyltetrahydrofolate","Ave m/z":"460.1955","Ave CorMT":"15.50"},{"Metabolite":"3,3',5-Triiodothyronine","Ave m/z":"651.7976","Ave CorMT":"18.03"},{"Metabolite":"NMN","Ave m/z":"335.0647","Ave CorMT":"25.26"}]
}

}