{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002328","ANALYSIS_ID":"AN003797","VERSION":"1","CREATED_ON":"October 27, 2022, 7:16 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolome and transcriptome analysis of oral mucosa of HIV+ patients reveal a role for polyamine metabolic pathway in T cell dysfunction","PROJECT_TYPE":"Clinical research","PROJECT_SUMMARY":"Metabolic changes of immune cells contribute to both physiological and pathophysiological outcomes of immune reactions. How viruses alter the metabolic states of mucosal T cells and the precise mechanisms underlying the persisting immune dysfunction during chronic viral infections are key questions that have not been fully addressed. Here, by comparing transcriptome and salivary metabolome profiles of the uninfected individuals and people living with HIV (PLWH) on treatment, we found a role of polyamine metabolism in immune perturbations of the oral mucosa of HIV+ patients. Flow cytometry analysis confirmed the higher expression of ornithine decarboxylase (ODC-1) and eukaryotic translation initiation factor 5A (EIF5A), the polyamine metabolism intermediates in CD4+ T cells in PLWH. Mechanistic studies using an in vitro human tonsil organoid infection model revealed that HIV infection of activated T cells also resulted in increased polyamine synthesis, which was dependent on the activities of caspase-1, IL-1β, and ODC-1. HIV-1 also led to elevated dysfunctional regulatory T cells (TregDys) /Thelper 17 (Th17) cell ratios as well as heightened expression of ODC-1, EIF5A, and hypusinated EIF5A. Blockade of caspase-1, ODC-1, and EIF5A hypusination and not HIF-1⍺ or NLRP3 reversed the frequency of TregDys showing the direct impact of polyamine pathway in Treg dysfunction during HIV-1 infection. The addition of exogenous polyamines increased TregDys percentages independent of HIV-1 infection in vitro. Finally, oral mucosal TregDys/Th17 ratios and CD4 hyperactivation positively correlated with the increases in salivary putrescine levels, which were found to be elevated in the saliva of PLWH. Thus, by revealing the role of aberrantly increased polyamine synthesis during HIV infection, our study unveils a new mechanism by which chronic viral infections could drive distinct T cell effector programs and Treg dysfunction.","INSTITUTE":"Case Western Reserve University","DEPARTMENT":"Biological Sciences","LABORATORY":"Pushpa Pandiyan","LAST_NAME":"Pandiyan","FIRST_NAME":"Pushpa","ADDRESS":"Department of Biological Sciences, School of Dental Medicine, Case Western Reserve University, Cleveland, Ohio, 44106","EMAIL":"pxp226@case.edu","PHONE":"216-368-2939","FUNDING_SOURCE":"NIH/NIDCR RO1DE026923","PUBLICATIONS":"Under revision","CONTRIBUTORS":"Mahalingam SS, Jayaraman S, Bhaskaran N, Schneider E, Faddoul F, Paes da Silva A, Lederman MM, Asaad R, Adkins-Travis K, Shriver LP, and Pandiyan P"},

"STUDY":{"STUDY_TITLE":"Metabolome and transcriptome analysis of oral mucosa of HIV+ patients reveal a role for polyamine metabolic pathway in T cell dysfunction","STUDY_SUMMARY":"Metabolic changes of immune cells contribute to both physiological and pathophysiological outcomes of immune reactions. How viruses alter the metabolic states of mucosal T cells and the precise mechanisms underlying the persisting immune dysfunction during chronic viral infections are key questions that have not been fully addressed. Here, by comparing transcriptome and salivary metabolome profiles of the uninfected individuals and people living with HIV (PLWH) on treatment, we found a role of polyamine metabolism in immune perturbations of the oral mucosa of HIV+ patients. Flow cytometry analysis confirmed the higher expression of ornithine decarboxylase (ODC-1) and eukaryotic translation initiation factor 5A (EIF5A), the polyamine metabolism intermediates in CD4+ T cells in PLWH. Mechanistic studies using an in vitro human tonsil organoid infection model revealed that HIV infection of activated T cells also resulted in increased polyamine synthesis, which was dependent on the activities of caspase-1, IL-1β, and ODC-1. HIV-1 also led to elevated dysfunctional regulatory T cells (TregDys) /Thelper 17 (Th17) cell ratios as well as heightened expression of ODC-1, EIF5A, and hypusinated EIF5A. Blockade of caspase-1, ODC-1, and EIF5A hypusination and not HIF-1⍺ or NLRP3 reversed the frequency of TregDys showing the direct impact of polyamine pathway in Treg dysfunction during HIV-1 infection. The addition of exogenous polyamines increased TregDys percentages independent of HIV-1 infection in vitro. Finally, oral mucosal TregDys/Th17 ratios and CD4 hyperactivation positively correlated with the increases in salivary putrescine levels, which were found to be elevated in the saliva of PLWH. Thus, by revealing the role of aberrantly increased polyamine synthesis during HIV infection, our study unveils a new mechanism by which chronic viral infections could drive distinct T cell effector programs and Treg dysfunction.","INSTITUTE":"Case Western Reserve University","DEPARTMENT":"Biological Sciences","LABORATORY":"Pushpa Pandiyan","LAST_NAME":"Pandiyan","FIRST_NAME":"Pushpa","ADDRESS":"Department of Biological Sciences, School of Dental Medicine, Case Western Reserve University, Cleveland, Ohio, 44106","EMAIL":"pxp226@case.edu","PHONE":"216-269-2939","NUM_GROUPS":"2","TOTAL_SUBJECTS":"66","NUM_MALES":"41","NUM_FEMALES":"25","PUBLICATIONS":"Under revision"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENOTYPE_STRAIN":"N/A","AGE_OR_AGE_RANGE":"19-75","WEIGHT_OR_WEIGHT_RANGE":"N/A","HEIGHT_OR_HEIGHT_RANGE":"N/A","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"PP-FF-031-013118",
"Sample ID":"A1a",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A1a.raw"}
},
{
"Subject ID":"PP-FF-053-062718",
"Sample ID":"A1b",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A1b.raw"}
},
{
"Subject ID":"PP-FF-039-030718",
"Sample ID":"A1c",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A1c.raw"}
},
{
"Subject ID":"PP-FF-041-030718",
"Sample ID":"A1d",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A1d.raw"}
},
{
"Subject ID":"PP-FF-045-032818",
"Sample ID":"A1e",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A1e.raw"}
},
{
"Subject ID":"PP-FF-030-013118",
"Sample ID":"A1f",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A1f.raw"}
},
{
"Subject ID":"PP-FF-064-110818",
"Sample ID":"A2a",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A2a.raw"}
},
{
"Subject ID":"PP-FF-065-110818",
"Sample ID":"A2b",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A2b.raw"}
},
{
"Subject ID":"PP-FF-040-030718",
"Sample ID":"A2c",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A2c.raw"}
},
{
"Subject ID":"PP-AP-077-030519",
"Sample ID":"A2d",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A2d.raw"}
},
{
"Subject ID":"PP-AP-061-101818",
"Sample ID":"A2e",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A2e.raw"}
},
{
"Subject ID":"PP-AP-067-111418",
"Sample ID":"A2f",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A2f.raw"}
},
{
"Subject ID":"PP-FF-016-010318",
"Sample ID":"A3a",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3a.raw"}
},
{
"Subject ID":"PP-FF-021-010318",
"Sample ID":"A3b",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3b.raw"}
},
{
"Subject ID":"PP-FF-030-013118",
"Sample ID":"A3c",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3c.raw"}
},
{
"Subject ID":"PP-FF-031-013118",
"Sample ID":"A3d",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3d.raw"}
},
{
"Subject ID":"PP-FF-032-013118",
"Sample ID":"A3e",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3e.raw"}
},
{
"Subject ID":"PP-FF-036-022818",
"Sample ID":"A3f",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3f.raw"}
},
{
"Subject ID":"PP-FF-040-030718",
"Sample ID":"A3g",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3g.raw"}
},
{
"Subject ID":"PP-FF-041-030718",
"Sample ID":"A3h",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3h.raw"}
},
{
"Subject ID":"PP-AP-060-101818",
"Sample ID":"A3i",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3i.raw"}
},
{
"Subject ID":"PP-FF-063-110718",
"Sample ID":"A3j",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3j.raw"}
},
{
"Subject ID":"PP-FF-068-111418",
"Sample ID":"A3k",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3k.raw"}
},
{
"Subject ID":"PP-FF-074-011019",
"Sample ID":"A3l",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3l.raw"}
},
{
"Subject ID":"PP-FF-075-017019",
"Sample ID":"A3m",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3m.raw"}
},
{
"Subject ID":"PP-FF-078-030519",
"Sample ID":"A3n",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"A3n.raw"}
},
{
"Subject ID":"PP-FF-054-062718",
"Sample ID":"B1a",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B1a.raw"}
},
{
"Subject ID":"PP-FF-029-013118",
"Sample ID":"B1b",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B1b.raw"}
},
{
"Subject ID":"PP-FF-027-012418",
"Sample ID":"B1c",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B1c.raw"}
},
{
"Subject ID":"PP-FF-050-052318",
"Sample ID":"B1d",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B1d.raw"}
},
{
"Subject ID":"PP-FF-026-011718",
"Sample ID":"B1e",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B1e.raw"}
},
{
"Subject ID":"PP-FF-047-050218",
"Sample ID":"B1f",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B1f.raw"}
},
{
"Subject ID":"PP-FF-038-022818",
"Sample ID":"B2a",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B2a.raw"}
},
{
"Subject ID":"PP-FF-017-010318",
"Sample ID":"B2b",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B2b.raw"}
},
{
"Subject ID":"PP-FF-035-021418",
"Sample ID":"B2c",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B2c.raw"}
},
{
"Subject ID":"PP-FF-033-020718",
"Sample ID":"B2d",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B2d.raw"}
},
{
"Subject ID":"PP-FF-037-022818",
"Sample ID":"B2e",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B2e.raw"}
},
{
"Subject ID":"PP-FF-071-010919",
"Sample ID":"B2f",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B2f.raw"}
},
{
"Subject ID":"PP-FF-002-101817",
"Sample ID":"B3a",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3a.raw"}
},
{
"Subject ID":"PP-FF-003-110117",
"Sample ID":"B3b",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3b.raw"}
},
{
"Subject ID":"PP-FF-017-010318",
"Sample ID":"B3c",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3c.raw"}
},
{
"Subject ID":"PP-FF-018-010318",
"Sample ID":"B3d",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3d.raw"}
},
{
"Subject ID":"PP-FF-019-010318",
"Sample ID":"B3e",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3e.raw"}
},
{
"Subject ID":"PP-FF-023-011718",
"Sample ID":"B3f",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3f.raw"}
},
{
"Subject ID":"PP-FF-024-011718",
"Sample ID":"B3g",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3g.raw"}
},
{
"Subject ID":"PP-FF-028-012418",
"Sample ID":"B3h",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3h.raw"}
},
{
"Subject ID":"PP-FF-029-013118",
"Sample ID":"B3i",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3i.raw"}
},
{
"Subject ID":"PP-FF-035-021418",
"Sample ID":"B3j",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3j.raw"}
},
{
"Subject ID":"PP-FF-042-031418",
"Sample ID":"B3k",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3k.raw"}
},
{
"Subject ID":"PP-FF-043-031418",
"Sample ID":"B3l",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3l.raw"}
},
{
"Subject ID":"PP-FF-044-032818",
"Sample ID":"B3m",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3m.raw"}
},
{
"Subject ID":"PP-FF-046-032818",
"Sample ID":"B3n",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3n.raw"}
},
{
"Subject ID":"PP-FF-048-050918",
"Sample ID":"B3o",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3o.raw"}
},
{
"Subject ID":"PP-FF-049-052318",
"Sample ID":"B3p",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3p.raw"}
},
{
"Subject ID":"PP-FF-050-052318",
"Sample ID":"B3q",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3q.raw"}
},
{
"Subject ID":"PP-FF-051-053018",
"Sample ID":"B3r",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3r.raw"}
},
{
"Subject ID":"PP-FF-052-062718",
"Sample ID":"B3s",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3s.raw"}
},
{
"Subject ID":"PP-FF-055-072318",
"Sample ID":"B3t",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3t.raw"}
},
{
"Subject ID":"PP-FF-056-081518",
"Sample ID":"B3u",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3u.raw"}
},
{
"Subject ID":"PP-FF-057-081518",
"Sample ID":"B3v",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3v.raw"}
},
{
"Subject ID":"PP-FF-058-091918",
"Sample ID":"B3w",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3w.raw"}
},
{
"Subject ID":"PP-FF-059-101718",
"Sample ID":"B3x",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3x.raw"}
},
{
"Subject ID":"PP-FF-062-102318",
"Sample ID":"B3y",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3y.raw"}
},
{
"Subject ID":"PP-FF-072-010919",
"Sample ID":"B3z",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3z.raw"}
},
{
"Subject ID":"PP-FF-073-010919",
"Sample ID":"B3aa",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3aa.raw"}
},
{
"Subject ID":"PP-FF-076-022019",
"Sample ID":"B3bb",
"Factors":{"Treatment":"PLWH"},
"Additional sample data":{"RAW_FILE_NAME":"B3bb.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Samples were collected in 50 mL sterile centrifuge tubes and immediately stored at −80°C. 100 μl frozen aliquots of human saliva samples were processed for metabolite extraction liquid chromatography-mass spectrometry (LC-MS) analysis commercially by Creative Proteomics.","COLLECTION_PROTOCOL_FILENAME":"Collection_protocol.pdf","SAMPLE_TYPE":"Saliva","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Samples were collected from both the healthy subjects (Control) and subjects living with HIV+ under anti-retroviral therapy (PLWH) in 50 ml sterile centrifuge tubes and immediately stored at −80°C. 100 μl frozen aliquots of human saliva samples were processed for metabolite extraction liquid chromatography-mass spectrometry (LC-MS) analysis commercially by Creative Proteomics.","TREATMENT_PROTOCOL_FILENAME":"Treatment_protocol.pdf"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"100 μl of saliva samples were thawed, transferred to new tubes, extracted with 200 μl of 80% methanol, and vortexed for 30 seconds. Then the samples were kept at -40 °C for 1 hour, vortexed for 30 s, and centrifuged at 12000 rpm, 4 °C for 15 minutes. Finally, 200 μl of supernatant and 5 μl of DL-o-Chlorophenylalanine (1 mg/ml) were transferred to the vial for LC-MS analysis. Quality control (QC) samples were used to evaluate the methodology. The same amount of extract was obtained from each sample and mixed with QC samples. The QC sample was prepared using the same sample preparation procedure. Instrumental setup Separation was performed by Ultimate 3000LC combined with Q Exactive MS (Thermo) and screened with ESI-MS (targeted MS/MS mode). The LC system is comprised of an ACQUITY UPLC HSS T3 (100 × 2.1mm 1.8 μm) with Ultimate 3000LC. The mobile phase was composed of solvent A (0.05% formic acid-water) and solvent B (acetonitrile) with a gradient elution (0-1.0 min, 95% A; 1.0-12.0 min,95%-5% A; 12.0-13.5 min,5% A; 13.5-13.6 min, 5%-95% A; 13.6-16 min, 95% A). The flow rate of the mobile phase was 0.3 ml/min. The column temperature was maintained at 40 °C, and the sample manager temperature is set at 4 °C. Mass spectrometry parameters in ESI+ and ESI- mode are listed as follows: ESI+: Heater Temp 300 °C; Sheath Gas Flow rate, 45 arb; Aux Gas Flow Rate, 15 arb; Sweep Gas Flow Rate, 1 arb; spray voltage, 3.0 kV; Capillary Temp, 350 °C; S-Lens RF Level, 30%. ESI-: Heater Temp 300 °C, Sheath Gas Flow rate, 45 arb; Aux Gas Flow Rate, 15arb; Sweep Gas Flow Rate, 1 arb; spray voltage, 3.2 kV; Capillary Temp,350 °C; S-Lens RF Level, 60%. Bioinformatic data analysis included multivariate statistical analysis, single variable analysis, cluster analysis, and correlation network of differential metabolites. Statistically significant metabolites (FC >1.5) were integrated with differentially expressed genes obtained from the RNAseq data and the combined data was visualized with Metaboanalyst (https://www.metaboanalyst.ca/) and Cytoscape v3.8 via Metscape v3.1 plugin (https://cytoscape.org/).","SAMPLEPREP_PROTOCOL_FILENAME":"Sample_preparation.pdf","PROCESSING_STORAGE_CONDITIONS":"Described in summary","EXTRACT_STORAGE":"Described in summary"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"Waters Acquity BEH HSS T3 (100 x 2.1mm, 1.8um)","FLOW_GRADIENT":"(0-1.0 min, 95% A; 1.0-12.0 min,95%-5% A; 12.0-13.5 min,5% A; 13.5-13.6 min, 5%- 629 95% A; 13.6-16 min, 95% A","FLOW_RATE":".3 ml/min","COLUMN_TEMPERATURE":"40","METHODS_FILENAME":"Chromatography_meta_data_queriesCP.pdf","SOLVENT_A":".05% formic acid in water","SOLVENT_B":"Acetonitrile","INJECTION_TEMPERATURE":"4"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Creative Proteomics","ANALYSIS_PROTOCOL_FILE":"MS_Metadata.docx"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Metabolomics was performed by Creative Proteomics. Gingival cells enriched in immune cells were prepared by removing epithelial cells based on gradient centrifugation. HOIL samples from three control individuals were pooled and compared with three independent HIV+ individuals. Separation was performed by Ultimate 3000LC combined with Q Exactive MS (Thermo) and screened with ESI-MS (targeted MS/MS mode). The software we used for metabolites identification is Compound Discoverer 3.1 SP1. For metabolites identification, the raw data are acquired and aligned using the Compound Discover based on the m/z value and the retention time of the ion signals. CD software offers a fully integrated suite of advanced software tools for known-parent and unknown data processing and interpretation. It is used for the initial metabolites identification. We also use mzMine2 software (with parameters of m/z tolerance=0.1 m/z ) for the online database search based on the MS1 and MS2 spectra acquired. The database used is HMDB."},

"MS_METABOLITE_DATA":{
"Units":"area",

"Data":[{"Metabolite":"Acrylic acid","A1a":"230.6279505","A1b":"61.04410902","A1c":"55.74268561","A1d":"101.1128084","A1e":"17.95919973","A1f":"185.8451893","A2a":"53.21983493","A2b":"15.66200858","A2c":"37.12223279","A2d":"40.85609225","A2e":"31.76750381","A2f":"13.49692701","A3a":"56.19021088","A3b":"21.53379759","A3c":"208.211997","A3d":"174.7469288","A3e":"82.29637872","A3f":"50.07389221","A3g":"29.08062585","A3h":"97.85098948","A3i":"46.54613572","A3j":"46.25965024","A3k":"73.33763473","A3l":"25.70469388","A3m":"54.47379423","A3n":"17.67711249","B1a":"93.71737569","B1b":"123.8114734","B1c":"171.0029333","B1d":"16.82183325","B1e":"36.63079128","B1f":"135.3889893","B2a":"53.02454447","B2b":"72.80542883","B2c":"18.94456375","B2d":"6.186561251","B2e":"12.91120613","B2f":"48.1926485","B3a":"65.4005888","B3aa":"25.0741279","B3b":"68.66366187","B3bb":"54.57680436","B3c":"73.44603568","B3d":"46.8589988","B3e":"39.93632627","B3f":"25.84949715","B3g":"58.90011417","B3h":"113.3141403","B3i":"168.9040464","B3j":"19.10488056","B3k":"61.82155997","B3l":"28.96243138","B3m":"34.29351129","B3n":"72.63865821","B3o":"97.7606876","B3p":"41.77856522","B3q":"16.40262582","B3r":"172.2949872","B3s":"61.91094653","B3t":"29.24069859","B3u":"120.6173631","B3v":"429.9661125","B3w":"158.9808523","B3x":"124.3244849","B3y":"50.55430377","B3z":"24.02220732"},{"Metabolite":"N,N-Dimethylformamide","A1a":"323.3651914","A1b":"270.2143571","A1c":"170.1140351","A1d":"287.9698368","A1e":"141.8318145","A1f":"219.1800694","A2a":"109.7795646","A2b":"131.6319463","A2c":"128.5120208","A2d":"146.777427","A2e":"108.4076745","A2f":"110.4320542","A3a":"105.7551816","A3b":"131.8997303","A3c":"190.015494","A3d":"167.8177486","A3e":"180.7751018","A3f":"125.2007051","A3g":"100.1200327","A3h":"190.9126221","A3i":"80.48412316","A3j":"101.1770263","A3k":"141.3100942","A3l":"112.1816491","A3m":"88.804823","A3n":"81.52498323","B1a":"161.9225605","B1b":"208.3124841","B1c":"187.5713244","B1d":"150.5668897","B1e":"123.4075987","B1f":"188.6214166","B2a":"178.5070226","B2b":"177.3340076","B2c":"109.3059079","B2d":"104.0732824","B2e":"116.0231083","B2f":"101.9911582","B3a":"216.9275597","B3aa":"84.90124803","B3b":"214.4117079","B3bb":"91.64289207","B3c":"145.6784196","B3d":"136.5902237","B3e":"97.92418878","B3f":"88.26809051","B3g":"82.48777214","B3h":"164.4564948","B3i":"158.44865","B3j":"76.57327497","B3k":"86.51163326","B3l":"108.0510728","B3m":"94.80205308","B3n":"135.7404526","B3o":"97.3372883","B3p":"67.15222653","B3q":"72.08289005","B3r":"164.2855059","B3s":"73.20596154","B3t":"90.16943083","B3u":"170.6464939","B3v":"112.8313739","B3w":"177.5450204","B3x":"137.0770901","B3y":"83.05502492","B3z":"76.06357579"},{"Metabolite":"Glycolic acid","A1a":"1.246824747","A1b":"3.387731958","A1c":"38.54937691","A1d":"2.538645661","A1e":"50.3220798","A1f":"1.139682698","A2a":"44.45469164","A2b":"73.99900687","A2c":"40.97054314","A2d":"49.27705717","A2e":"60.17856519","A2f":"73.36860238","A3a":"48.70005618","A3b":"57.87523727","A3c":"1.275763433","A3d":"1.124294055","A3e":"0.877424508","A3f":"48.56294766","A3g":"55.69534136","A3h":"5.582971689","A3i":"68.298931","A3j":"69.38773985","A3k":"29.9457774","A3l":"65.93217282","A3m":"69.13873118","A3n":"66.68987264","B1a":"3.75705022","B1b":"3.637344858","B1c":"2.169733777","B1d":"58.93194599","B1e":"72.69517431","B1f":"4.888227313","B2a":"1.618488355","B2b":"13.12907941","B2c":"66.84022627","B2d":"70.44851494","B2e":"60.09762909","B2f":"67.22717146","B3a":"12.9113497","B3aa":"69.43633213","B3b":"15.41566052","B3bb":"78.80599022","B3c":"12.5060242","B3d":"31.3659836","B3e":"25.91070319","B3f":"66.16574112","B3g":"58.96230576","B3h":"3.069376117","B3i":"1.264414175","B3j":"66.9639912","B3k":"60.34213157","B3l":"47.87706742","B3m":"85.93182582","B3n":"6.163138491","B3o":"63.5124425","B3p":"71.58409947","B3q":"85.80878559","B3r":"6.024413036","B3s":"53.62826794","B3t":"82.98269422","B3u":"3.829115929","B3v":"1.289639154","B3w":"1.62582528","B3x":"3.047233606","B3y":"79.15377292","B3z":"82.6878501"},{"Metabolite":"Orotic acid","A1a":"136.5778279","A1b":"188.1525465","A1c":"1783.060748","A1d":"97.71650742","A1e":"2082.150355","A1f":"58.36618548","A2a":"1953.182293","A2b":"2497.791369","A2c":"1369.462169","A2d":"1654.409412","A2e":"1632.116194","A2f":"1815.512555","A3a":"1393.381656","A3b":"1291.582095","A3c":"48.81403299","A3d":"39.59189278","A3e":"33.61603708","A3f":"887.6828178","A3g":"972.9176475","A3h":"176.8496255","A3i":"1398.405358","A3j":"1313.865167","A3k":"475.9658438","A3l":"1821.466108","A3m":"1218.112638","A3n":"1140.13401","B1a":"163.1055324","B1b":"128.9338147","B1c":"82.81350632","B1d":"1557.487378","B1e":"1612.855771","B1f":"140.0093108","B2a":"70.71244376","B2b":"479.7556683","B2c":"1527.857702","B2d":"1674.431935","B2e":"1762.977216","B2f":"1530.962635","B3a":"340.2704277","B3aa":"1037.115744","B3b":"297.5881021","B3bb":"773.2785473","B3c":"267.0859427","B3d":"825.4481037","B3e":"476.6243135","B3f":"1275.499693","B3g":"1141.514955","B3h":"92.51603625","B3i":"41.24090143","B3j":"1293.902702","B3k":"1068.543335","B3l":"1014.007569","B3m":"1189.346694","B3n":"114.9154594","B3o":"890.7503751","B3p":"1100.774266","B3q":"1372.406543","B3r":"113.5188985","B3s":"988.2063648","B3t":"1126.4561","B3u":"105.9230701","B3v":"38.49741646","B3w":"91.53657477","B3x":"75.82784556","B3y":"1078.698335","B3z":"1285.831401"},{"Metabolite":"Piperidine","A1a":"165.7933268","A1b":"84.83115588","A1c":"183.5824371","A1d":"29.32159353","A1e":"133.0176083","A1f":"199.3995104","A2a":"279.4203765","A2b":"61.04265609","A2c":"247.9893356","A2d":"97.84688084","A2e":"94.54552455","A2f":"85.51122636","A3a":"261.621137","A3b":"28.8824597","A3c":"422.4308729","A3d":"378.8505628","A3e":"754.4874688","A3f":"955.4136974","A3g":"296.1742365","A3h":"137.0117113","A3i":"314.4183122","A3j":"184.747839","A3k":"51.38423772","A3l":"25.59192045","A3m":"213.8940166","A3n":"55.99057922","B1a":"57.93628903","B1b":"58.92208104","B1c":"84.10555539","B1d":"142.1196854","B1e":"229.0428515","B1f":"27.33338412","B2a":"12.46979681","B2b":"128.269525","B2c":"154.0095438","B2d":"34.38152289","B2e":"29.4043499","B2f":"18.44552781","B3a":"39.5860617","B3aa":"116.8640505","B3b":"53.6813273","B3bb":"180.729453","B3c":"51.13580896","B3d":"79.49538193","B3e":"109.459349","B3f":"508.8843386","B3g":"202.5068771","B3h":"62.17200533","B3i":"209.0251145","B3j":"262.5303105","B3k":"203.4017282","B3l":"63.7198686","B3m":"38.00873011","B3n":"61.67749448","B3o":"380.2021243","B3p":"128.8066197","B3q":"69.77644323","B3r":"50.77135261","B3s":"215.3442616","B3t":"204.4715387","B3u":"25.96416002","B3v":"443.4311829","B3w":"80.42751229","B3x":"69.02722816","B3y":"686.8411883","B3z":"160.7122236"},{"Metabolite":"Ethyl acetate","A1a":"10.36963019","A1b":"14.19294425","A1c":"8.102407182","A1d":"17.98765279","A1e":"9.040884883","A1f":"12.45012306","A2a":"46.02441025","A2b":"11.8199786","A2c":"8.31977771","A2d":"12.04903416","A2e":"8.501360042","A2f":"16.44161957","A3a":"9.200093262","A3b":"9.631790085","A3c":"14.57419336","A3d":"14.23963578","A3e":"13.78424245","A3f":"11.83668115","A3g":"16.15652488","A3h":"17.99608899","A3i":"7.819499855","A3j":"21.97540609","A3k":"20.67401668","A3l":"13.68028445","A3m":"14.25203998","A3n":"11.28572907","B1a":"13.21206316","B1b":"12.97340346","B1c":"14.73965346","B1d":"11.96544668","B1e":"8.489319864","B1f":"19.6389224","B2a":"12.10484773","B2b":"13.7508076","B2c":"9.969956022","B2d":"9.933227269","B2e":"7.748852754","B2f":"8.086294855","B3a":"28.62174382","B3aa":"5.303050345","B3b":"21.77971853","B3bb":"14.53665023","B3c":"17.08248086","B3d":"9.918404467","B3e":"11.63738427","B3f":"8.747606587","B3g":"10.34107683","B3h":"17.95231824","B3i":"17.9182477","B3j":"12.64120651","B3k":"10.53725696","B3l":"13.65704734","B3m":"10.79024765","B3n":"17.46975456","B3o":"12.34869211","B3p":"10.8105615","B3q":"13.70821181","B3r":"20.88239059","B3s":"7.809510018","B3t":"7.829270454","B3u":"16.75518864","B3v":"11.23698289","B3w":"17.68738292","B3x":"16.63308091","B3y":"9.19384791","B3z":"9.928129304"},{"Metabolite":"L-Alanine","A1a":"239.431001","A1b":"60.76681196","A1c":"55.94114879","A1d":"96.25355369","A1e":"24.64846496","A1f":"230.4122125","A2a":"64.867749","A2b":"33.89970018","A2c":"62.39852943","A2d":"39.52587027","A2e":"34.6364529","A2f":"81.98388007","A3a":"91.78980889","A3b":"35.89453531","A3c":"334.9462788","A3d":"196.3756627","A3e":"123.8149199","A3f":"80.25695858","A3g":"32.75532595","A3h":"298.4881481","A3i":"232.64093","A3j":"177.6097979","A3k":"98.03714057","A3l":"25.39209338","A3m":"77.49962426","A3n":"23.27663421","B1a":"104.3707744","B1b":"149.538839","B1c":"142.8320258","B1d":"15.23914995","B1e":"35.92670931","B1f":"185.5653519","B2a":"55.88104595","B2b":"108.6427235","B2c":"47.75877343","B2d":"7.796809205","B2e":"14.93595179","B2f":"200.2209584","B3a":"67.24070534","B3aa":"27.92216135","B3b":"71.67256545","B3bb":"55.12996978","B3c":"75.92234141","B3d":"5134.021976","B3e":"5781.277142","B3f":"90.43864563","B3g":"119.1601628","B3h":"106.0967932","B3i":"177.0720074","B3j":"37.55318915","B3k":"208.1247689","B3l":"30.42197574","B3m":"111.8515121","B3n":"13212.49771","B3o":"114.1004689","B3p":"49.4833249","B3q":"137.6528809","B3r":"186.8921445","B3s":"74.67809558","B3t":"170.8377951","B3u":"122.0513431","B3v":"450.9432323","B3w":"166.2132242","B3x":"267.627438","B3y":"247.2567247","B3z":"38.35232559"},{"Metabolite":"Glycerol","A1a":"6.299063891","A1b":"3.405590029","A1c":"171.839197","A1d":"19.62811064","A1e":"2.72066182","A1f":"9.881664054","A2a":"1.133773611","A2b":"3.73383019","A2c":"28.8280542","A2d":"1.206286435","A2e":"1.061504742","A2f":"66.6134475","A3a":"7.267101766","A3b":"2.686009688","A3c":"31.08333484","A3d":"4.314536181","A3e":"22.04776735","A3f":"15.12205483","A3g":"2.911671931","A3h":"51.78232533","A3i":"70.41071661","A3j":"54.86211539","A3k":"3.081662901","A3l":"3.253458621","A3m":"4.237031056","A3n":"2.927725484","B1a":"102.1231187","B1b":"22.5257369","B1c":"14.58002917","B1d":"2.365659904","B1e":"1.146635173","B1f":"0.687448042","B2a":"23.45401426","B2b":"6.854696521","B2c":"5.194805856","B2d":"3.660562999","B2e":"3.832141978","B2f":"21.54233497","B3a":"2.103187793","B3aa":"1.621536841","B3b":"3.090739424","B3bb":"1.74490612","B3c":"1.64887464","B3d":"7.997237294","B3e":"11.77959727","B3f":"36.90022273","B3g":"9.142288933","B3h":"1.197207644","B3i":"1.532860291","B3j":"7.863201384","B3k":"102.5785903","B3l":"2.315759909","B3m":"28.41567673","B3n":"14.27435598","B3o":"2.449721894","B3p":"3.363605705","B3q":"93.59394315","B3r":"1.435908742","B3s":"6.977857534","B3t":"38.69639253","B3u":"4.257299008","B3v":"2.305356591","B3w":"1.210586614","B3x":"118.9393458","B3y":"87.15238811","B3z":"3.593003186"},{"Metabolite":"2-Methylpyridine","A1a":"3.234941671","A1b":"7.204300566","A1c":"1.916901807","A1d":"86.04561309","A1e":"10.16686297","A1f":"3.309540337","A2a":"1.726078602","A2b":"2.970907298","A2c":"2.250293887","A2d":"2.144121699","A2e":"139.9169083","A2f":"1.573009456","A3a":"86.18391251","A3b":"39.14825838","A3c":"3.837598462","A3d":"8.263712175","A3e":"2.997633158","A3f":"2.040351606","A3g":"2.202506148","A3h":"87.99294447","A3i":"2.350412414","A3j":"5.175236843","A3k":"3.52430333","A3l":"2.710104672","A3m":"7.424467674","A3n":"2.484200843","B1a":"2.357157613","B1b":"2.600674407","B1c":"197.0412046","B1d":"9.383191728","B1e":"1.738904971","B1f":"3.078701531","B2a":"18.27348615","B2b":"27.63356125","B2c":"2.597104942","B2d":"1.448527908","B2e":"2.800437367","B2f":"2.692913437","B3a":"10.41849565","B3aa":"4.340727631","B3b":"17.13015862","B3bb":"4.685936588","B3c":"8.30788506","B3d":"64.81997222","B3e":"29.70138186","B3f":"1.30026878","B3g":"1.323176033","B3h":"3.267840822","B3i":"3.097486727","B3j":"2.939329715","B3k":"5.546519394","B3l":"4.520871506","B3m":"5.743354651","B3n":"5.298272286","B3o":"2.912440986","B3p":"11.95058618","B3q":"4.568399138","B3r":"5.435089664","B3s":"11.2686705","B3t":"2.34153464","B3u":"8.256539308","B3v":"4.162502551","B3w":"4.142983559","B3x":"11.82115139","B3y":"2.196529134","B3z":"4.413695188"},{"Metabolite":"Phosphate","A1a":"923.2307828","A1b":"597.2288073","A1c":"4.137204823","A1d":"785.2667015","A1e":"29.49619253","A1f":"1901.73509","A2a":"5.400736604","A2b":"1.472955444","A2c":"2.643636253","A2d":"1.718396966","A2e":"2.338211614","A2f":"2.536744533","A3a":"2.299072442","A3b":"1.327292114","A3c":"1965.698366","A3d":"17.37551062","A3e":"1064.104249","A3f":"2.947422941","A3g":"2.57626868","A3h":"4.112079708","A3i":"5.672283237","A3j":"2.287099364","A3k":"1.520351903","A3l":"1.54911866","A3m":"2.315298233","A3n":"1.814942467","B1a":"672.5171849","B1b":"1487.002142","B1c":"2551.718724","B1d":"1.266846503","B1e":"1.860094112","B1f":"1121.236258","B2a":"5.234912849","B2b":"1.913579967","B2c":"1.256278801","B2d":"0.990356704","B2e":"1.119366389","B2f":"4.132454345","B3a":"4.342058971","B3aa":"1.738884839","B3b":"3.12259426","B3bb":"1.868030173","B3c":"16.58600086","B3d":"3.174180769","B3e":"3.192700138","B3f":"3.290019492","B3g":"1.632647888","B3h":"1731.164928","B3i":"1349.550311","B3j":"2.27321895","B3k":"4.503915699","B3l":"2.142898159","B3m":"1.624126093","B3n":"5.956204623","B3o":"2.196929808","B3p":"6.01447905","B3q":"1.353530986","B3r":"937.5365126","B3s":"6.883546552","B3t":"2.832531443","B3u":"2187.224636","B3v":"1245.564161","B3w":"924.4752353","B3x":"1330.865806","B3y":"3.281209035","B3z":"1.558522154"},{"Metabolite":"2-Piperidinone","A1a":"15096.31042","A1b":"543.4516051","A1c":"1242.362382","A1d":"1047.618362","A1e":"43.98583842","A1f":"12596.04604","A2a":"6566.31666","A2b":"1205.656247","A2c":"1575.065103","A2d":"395.5337564","A2e":"2347.563981","A2f":"716.0625777","A3a":"303.2233172","A3b":"93.3678484","A3c":"21511.29163","A3d":"11878.78728","A3e":"9661.618969","A3f":"6469.135204","A3g":"1744.117504","A3h":"1927.045035","A3i":"5237.222137","A3j":"1082.620032","A3k":"452.7196515","A3l":"1091.178359","A3m":"1817.404408","A3n":"794.9782032","B1a":"1307.249045","B1b":"1834.433662","B1c":"1880.062247","B1d":"291.2768054","B1e":"1151.971331","B1f":"578.1735306","B2a":"401.8759288","B2b":"2032.199354","B2c":"1162.226831","B2d":"228.3426065","B2e":"717.1044691","B2f":"30.18640717","B3a":"825.8154473","B3aa":"968.2806266","B3b":"1067.099391","B3bb":"1302.742598","B3c":"676.600113","B3d":"2523.569468","B3e":"2495.767243","B3f":"5802.480385","B3g":"1845.322202","B3h":"2104.595372","B3i":"5141.382781","B3j":"2201.543494","B3k":"3342.79635","B3l":"2108.73811","B3m":"2031.910942","B3n":"1012.050766","B3o":"4280.234784","B3p":"12754.52126","B3q":"555.1127319","B3r":"1401.895595","B3s":"16856.61364","B3t":"1760.961197","B3u":"532.2423468","B3v":"25356.85629","B3w":"1345.564298","B3x":"629.1446252","B3y":"3353.593902","B3z":"1660.810772"},{"Metabolite":"2-Ketobutyric acid","A1a":"190.5499259","A1b":"77.25929178","A1c":"93.53512731","A1d":"274.8772556","A1e":"36.9174431","A1f":"159.2471743","A2a":"30.73927447","A2b":"35.41949306","A2c":"47.98006161","A2d":"46.99512701","A2e":"24.71740037","A2f":"14.84541703","A3a":"56.75338465","A3b":"28.78105901","A3c":"145.7751354","A3d":"157.4142045","A3e":"97.53911215","A3f":"63.94531702","A3g":"50.16097782","A3h":"241.3645485","A3i":"43.68887624","A3j":"38.08341927","A3k":"75.55967953","A3l":"24.84026253","A3m":"36.21073968","A3n":"13.11859349","B1a":"122.9882324","B1b":"140.1737384","B1c":"204.5322239","B1d":"36.70536528","B1e":"44.20795735","B1f":"187.6519231","B2a":"89.48854182","B2b":"71.44188256","B2c":"14.96352951","B2d":"28.68875383","B2e":"26.26493148","B2f":"2379.544053","B3a":"75.22244716","B3aa":"25.36650776","B3b":"69.69325211","B3bb":"62.5697638","B3c":"70.46917798","B3d":"47.6100711","B3e":"42.9801096","B3f":"33.02495521","B3g":"50.08951747","B3h":"121.2291297","B3i":"160.4018851","B3j":"32.96428771","B3k":"35.79941038","B3l":"51.69404066","B3m":"51.3300718","B3n":"50.00887425","B3o":"99.08502728","B3p":"34.9574022","B3q":"18.09918497","B3r":"156.6450016","B3s":"31.72706369","B3t":"36.11667237","B3u":"93.51507215","B3v":"303.396789","B3w":"181.7669125","B3x":"67.85832551","B3y":"51.41609363","B3z":"36.9285848"},{"Metabolite":"Cadaverine","A1a":"31.57196559","A1b":"54.33090944","A1c":"114.9974093","A1d":"17.66263655","A1e":"89.21586742","A1f":"50.49810842","A2a":"205.9624652","A2b":"17.48143426","A2c":"169.9016072","A2d":"55.43820996","A2e":"32.33531536","A2f":"39.2620521","A3a":"179.1029152","A3b":"13.77366955","A3c":"152.1773211","A3d":"175.046516","A3e":"433.1301628","A3f":"597.3383657","A3g":"204.3116444","A3h":"87.06386783","A3i":"129.3218514","A3j":"44.47987636","A3k":"17.99328955","A3l":"8.4790563","A3m":"93.20915559","A3n":"16.64302691","B1a":"28.21797805","B1b":"22.46739144","B1c":"30.29040616","B1d":"89.00752046","B1e":"146.7856882","B1f":"15.98538264","B2a":"7.499359074","B2b":"12.82992239","B2c":"109.9166996","B2d":"22.32965639","B2e":"16.60310259","B2f":"7.94775711","B3a":"14.6568476","B3aa":"38.88823641","B3b":"9.898102777","B3bb":"78.9909629","B3c":"10.05716704","B3d":"7.374027422","B3e":"22.25417395","B3f":"293.4134017","B3g":"131.967446","B3h":"16.81101204","B3i":"90.49103045","B3j":"177.3837435","B3k":"132.0875355","B3l":"36.52108304","B3m":"23.12103572","B3n":"33.05568665","B3o":"253.1714057","B3p":"73.28162896","B3q":"25.40565264","B3r":"18.60423198","B3s":"138.3475108","B3t":"111.0414602","B3u":"9.54421257","B3v":"252.3439495","B3w":"38.37111111","B3x":"33.35120137","B3y":"438.1214086","B3z":"85.28473758"},{"Metabolite":"Dimethylglycine","A1a":"52.78918488","A1b":"45.47028534","A1c":"37.70718223","A1d":"170.1900796","A1e":"24.22161282","A1f":"53.25812164","A2a":"55.91726694","A2b":"10.38812639","A2c":"31.1706094","A2d":"17.88339326","A2e":"43.06810848","A2f":"8.333260895","A3a":"24.06891635","A3b":"21.40443732","A3c":"74.22961259","A3d":"48.95062724","A3e":"62.5840895","A3f":"24.39020611","A3g":"31.09263292","A3h":"78.35856366","A3i":"43.52145135","A3j":"40.97963212","A3k":"9.384191222","A3l":"22.23509131","A3m":"22.54401677","A3n":"7.694017779","B1a":"42.06043948","B1b":"93.49487507","B1c":"148.3675873","B1d":"6.318796196","B1e":"25.83129056","B1f":"164.4633816","B2a":"34.49794465","B2b":"24.60747563","B2c":"15.81081538","B2d":"18.11783559","B2e":"7.226094409","B2f":"15.99679923","B3a":"16.01184323","B3aa":"9.3227558","B3b":"17.05709471","B3bb":"23.74842562","B3c":"20.48224756","B3d":"211.1973625","B3e":"222.6669151","B3f":"14.37804942","B3g":"38.0378856","B3h":"108.8799287","B3i":"210.8175503","B3j":"9.39023628","B3k":"26.54902012","B3l":"12.16573708","B3m":"23.8995927","B3n":"482.0600562","B3o":"51.89644299","B3p":"60.86074464","B3q":"15.03879295","B3r":"152.8367154","B3s":"84.57835097","B3t":"24.95109915","B3u":"126.0503866","B3v":"130.5798113","B3w":"75.18412117","B3x":"145.9881561","B3y":"80.4434741","B3z":"9.941125359"},{"Metabolite":"Styrene","A1a":"13.44760109","A1b":"6.746937254","A1c":"9.38498772","A1d":"8.616823699","A1e":"4.41761641","A1f":"13.87414782","A2a":"6.302792604","A2b":"10.41471805","A2c":"5.301802352","A2d":"8.012602003","A2e":"7.747751272","A2f":"6.859072123","A3a":"2.65104519","A3b":"10.01136038","A3c":"16.15653122","A3d":"2.457630993","A3e":"8.782009909","A3f":"6.293555886","A3g":"10.24266285","A3h":"16.22754345","A3i":"6.489143227","A3j":"7.671652523","A3k":"13.16321939","A3l":"8.188933397","A3m":"5.651055418","A3n":"5.666461923","B1a":"6.771305246","B1b":"8.288931808","B1c":"12.25052342","B1d":"10.11264633","B1e":"7.381451143","B1f":"2.650005194","B2a":"7.781454736","B2b":"10.9094475","B2c":"6.22284879","B2d":"5.798764449","B2e":"8.244818656","B2f":"5.067480212","B3a":"17.58303969","B3aa":"8.068950466","B3b":"16.47218204","B3bb":"17.18024776","B3c":"14.01323421","B3d":"2.336432986","B3e":"4.64170054","B3f":"5.717821942","B3g":"6.807939272","B3h":"14.78259308","B3i":"13.12776225","B3j":"10.32366149","B3k":"6.175468887","B3l":"8.614433902","B3m":"4.254626474","B3n":"14.94418501","B3o":"71.48944383","B3p":"8.228078276","B3q":"10.02764639","B3r":"18.89587003","B3s":"7.911600381","B3t":"8.030981457","B3u":"16.31875069","B3v":"13.27970361","B3w":"52.15997583","B3x":"17.20795094","B3y":"11.35011094","B3z":"6.874841135"},{"Metabolite":"L-Serine","A1a":"566.1863929","A1b":"396.4750676","A1c":"103.2651462","A1d":"318.0582715","A1e":"72.59666367","A1f":"597.696922","A2a":"659.9113478","A2b":"55.96965267","A2c":"103.4460384","A2d":"166.3825177","A2e":"62.74380898","A2f":"129.2061172","A3a":"317.9184064","A3b":"141.2515016","A3c":"698.8882496","A3d":"643.2681684","A3e":"304.8379267","A3f":"194.7407218","A3g":"106.5448445","A3h":"276.1202072","A3i":"261.2541325","A3j":"76.85471275","A3k":"340.0856757","A3l":"18.74623044","A3m":"127.525209","A3n":"96.63173699","B1a":"913.1126443","B1b":"909.4955731","B1c":"791.4280858","B1d":"49.63776701","B1e":"178.1732899","B1f":"632.3609518","B2a":"378.9290932","B2b":"310.7606238","B2c":"23.9456205","B2d":"29.16181725","B2e":"19.14523187","B2f":"114.176693","B3a":"275.9570118","B3aa":"70.52338755","B3b":"244.6566773","B3bb":"184.9418969","B3c":"398.2225402","B3d":"164.4590535","B3e":"206.7977034","B3f":"91.09301165","B3g":"191.9506801","B3h":"608.3073421","B3i":"813.0170636","B3j":"77.43893627","B3k":"165.2139382","B3l":"247.950661","B3m":"143.3029412","B3n":"188.8783246","B3o":"186.5876935","B3p":"144.2516808","B3q":"44.78514262","B3r":"726.5784676","B3s":"136.2926102","B3t":"166.711365","B3u":"576.2895235","B3v":"1824.388785","B3w":"1599.854078","B3x":"555.3274167","B3y":"296.9957828","B3z":"42.26845889"},{"Metabolite":"Glyceric acid","A1a":"2.314390326","A1b":"1.222578452","A1c":"110.7007906","A1d":"4.120902948","A1e":"3.174656127","A1f":"2.75500201","A2a":"28.39919983","A2b":"11.57501303","A2c":"31.0973954","A2d":"2.202764076","A2e":"2.686844233","A2f":"180.3040474","A3a":"22.3851491","A3b":"7.92243647","A3c":"8.134791665","A3d":"3.863404962","A3e":"5.303457592","A3f":"18.89958461","A3g":"5.124222384","A3h":"22.4872348","A3i":"287.673734","A3j":"173.3096177","A3k":"3.969536987","A3l":"9.38288771","A3m":"12.48517528","A3n":"10.82805566","B1a":"30.13178203","B1b":"10.20641602","B1c":"3.893368539","B1d":"3.672725564","B1e":"3.304384882","B1f":"1.264779907","B2a":"13.1252034","B2b":"7.637035466","B2c":"19.3977068","B2d":"12.02505436","B2e":"9.979174059","B2f":"54.07132943","B3a":"3.272228621","B3aa":"4.095785213","B3b":"3.932728518","B3bb":"1.927798022","B3c":"2.303827811","B3d":"8.674010479","B3e":"11.75245038","B3f":"124.9389011","B3g":"27.56871548","B3h":"1.40222809","B3i":"1.975974161","B3j":"26.47382264","B3k":"226.95351","B3l":"6.265942976","B3m":"86.09533343","B3n":"5.862349129","B3o":"7.49118587","B3p":"15.50767354","B3q":"293.5967206","B3r":"2.777504828","B3s":"16.4297845","B3t":"140.2304839","B3u":"2.73183198","B3v":"4.121513149","B3w":"1.86592604","B3x":"46.42881499","B3y":"183.5286156","B3z":"15.48064743"},{"Metabolite":"Benzaldehyde","A1a":"28.8211229","A1b":"38.43468452","A1c":"21.26445985","A1d":"37.93198712","A1e":"20.34351091","A1f":"11.32814988","A2a":"13.5904653","A2b":"16.76040406","A2c":"21.70376266","A2d":"183.8589514","A2e":"19.90515603","A2f":"16.11515729","A3a":"17.61596251","A3b":"22.08068381","A3c":"27.37352775","A3d":"33.85803458","A3e":"31.00603319","A3f":"22.66421887","A3g":"22.86031127","A3h":"35.44342472","A3i":"15.00190439","A3j":"15.43655831","A3k":"24.81158578","A3l":"17.90047696","A3m":"6.348864762","A3n":"2.393622386","B1a":"27.52613832","B1b":"9.002832668","B1c":"10.63605665","B1d":"24.77167205","B1e":"20.66217802","B1f":"32.92936132","B2a":"35.51223433","B2b":"29.71242011","B2c":"5.521783193","B2d":"19.25888878","B2e":"14.63811121","B2f":"17.34693474","B3a":"36.80400573","B3aa":"30.23468987","B3b":"12.84419318","B3bb":"33.40571849","B3c":"33.85580887","B3d":"36.49832804","B3e":"38.63964346","B3f":"15.02947108","B3g":"19.88236659","B3h":"8.72031557","B3i":"9.585465452","B3j":"14.03854932","B3k":"16.51362532","B3l":"19.3793507","B3m":"23.67168701","B3n":"31.19409721","B3o":"22.65450718","B3p":"20.22119435","B3q":"24.0253874","B3r":"37.79335749","B3s":"20.4731039","B3t":"19.55186759","B3u":"36.64286466","B3v":"32.04945236","B3w":"33.79198513","B3x":"34.96887738","B3y":"24.43456846","B3z":"20.36037382"},{"Metabolite":"Trihydroxybutane","A1a":"9.841614089","A1b":"9.982161682","A1c":"6.181342443","A1d":"12.74458484","A1e":"8.534193169","A1f":"12.08377024","A2a":"147.2683332","A2b":"28.99255697","A2c":"8.734417371","A2d":"10.7940768","A2e":"7.299569023","A2f":"58.90672153","A3a":"7.109687134","A3b":"8.013851888","A3c":"12.27568688","A3d":"12.67155349","A3e":"12.28902472","A3f":"13.7583487","A3g":"11.94794978","A3h":"13.8649892","A3i":"8.114412636","A3j":"49.64067244","A3k":"15.84083782","A3l":"17.34497589","A3m":"12.14520946","A3n":"11.73656079","B1a":"9.445837436","B1b":"14.72905659","B1c":"14.50332309","B1d":"9.854468883","B1e":"8.86449838","B1f":"13.80876263","B2a":"20.8257326","B2b":"10.61763447","B2c":"7.666685238","B2d":"7.503124721","B2e":"8.153849726","B2f":"5.744954237","B3a":"18.49249728","B3aa":"11.84978842","B3b":"20.69659046","B3bb":"12.8662602","B3c":"15.10920912","B3d":"14.48263124","B3e":"10.9037099","B3f":"9.017917054","B3g":"8.954994294","B3h":"18.94137023","B3i":"16.5457012","B3j":"6.327392983","B3k":"8.328382728","B3l":"11.19650971","B3m":"9.828311817","B3n":"12.43834654","B3o":"10.49919145","B3p":"7.143502789","B3q":"8.953262374","B3r":"12.55685505","B3s":"9.45853336","B3t":"8.150123617","B3u":"16.56139344","B3v":"10.56943834","B3w":"12.65358478","B3x":"10.85114292","B3y":"7.2446207","B3z":"7.939226536"},{"Metabolite":"p-Cresol","A1a":"5.237297859","A1b":"8.513321832","A1c":"4.125785743","A1d":"7.321408102","A1e":"4.203235152","A1f":"6.275068195","A2a":"2.927611137","A2b":"3.661050668","A2c":"0.787878767","A2d":"4.977542281","A2e":"3.169104331","A2f":"4.70314547","A3a":"1.118645465","A3b":"4.308132051","A3c":"6.353899448","A3d":"5.713503311","A3e":"6.446126413","A3f":"3.845371134","A3g":"3.7543698","A3h":"6.34409318","A3i":"3.215754012","A3j":"4.109105741","A3k":"6.035301929","A3l":"4.25253407","A3m":"4.305470432","A3n":"2.876805699","B1a":"5.353258748","B1b":"6.646724985","B1c":"6.134189246","B1d":"5.214277068","B1e":"3.360675796","B1f":"7.934732211","B2a":"8.289289714","B2b":"5.300965578","B2c":"3.795361903","B2d":"3.505902796","B2e":"1.375563289","B2f":"4.316320573","B3a":"6.855023385","B3aa":"7.534535436","B3b":"2.995194301","B3bb":"1.198656483","B3c":"6.310085423","B3d":"4.383167","B3e":"4.00273154","B3f":"3.604081665","B3g":"3.913182652","B3h":"7.966913297","B3i":"5.953883937","B3j":"4.217108509","B3k":"4.149286391","B3l":"4.687983937","B3m":"5.309555367","B3n":"20.96127265","B3o":"5.593581647","B3p":"3.655187206","B3q":"4.766881575","B3r":"47.24687398","B3s":"4.202103711","B3t":"4.192893116","B3u":"7.43380575","B3v":"6.824707152","B3w":"14.81360759","B3x":"5.550380308","B3y":"6.037250174","B3z":"5.049533841"},{"Metabolite":"Cytosine","A1a":"50.84537325","A1b":"11.65018102","A1c":"5.397845179","A1d":"30.07777253","A1e":"9.816478496","A1f":"7.912643954","A2a":"2.005767178","A2b":"0.890115081","A2c":"6.806197688","A2d":"5.297467759","A2e":"1.381273838","A2f":"0.744739486","A3a":"17.94033947","A3b":"14.03923451","A3c":"51.39740528","A3d":"58.30783416","A3e":"86.95792704","A3f":"30.36844163","A3g":"4.204935045","A3h":"30.74899758","A3i":"4.501601587","A3j":"6.169417567","A3k":"3.063245692","A3l":"3.418007153","A3m":"6.176511528","A3n":"1.892516108","B1a":"131.1577863","B1b":"13.77994818","B1c":"109.832952","B1d":"2.488817286","B1e":"14.85648631","B1f":"27.7039648","B2a":"15.69998772","B2b":"26.64554221","B2c":"2.814791634","B2d":"2.767277464","B2e":"0.994536983","B2f":"3.581510873","B3a":"14.0495717","B3aa":"3.455294278","B3b":"14.41117421","B3bb":"4.28534574","B3c":"14.30737257","B3d":"31.22971317","B3e":"28.92532911","B3f":"4.246136117","B3g":"17.11445158","B3h":"10.65169215","B3i":"25.8832353","B3j":"11.03173059","B3k":"11.99320203","B3l":"29.56918668","B3m":"17.57902822","B3n":"29.93650602","B3o":"32.14734198","B3p":"59.05539767","B3q":"5.918235841","B3r":"88.16541476","B3s":"32.79976597","B3t":"4.907257816","B3u":"18.8355579","B3v":"412.4132043","B3w":"96.62859093","B3x":"23.86431507","B3y":"9.283462982","B3z":"3.248631261"},{"Metabolite":"Histamine","A1a":"44.84750372","A1b":"70.28891167","A1c":"48.3305968","A1d":"94.15528686","A1e":"50.88313836","A1f":"60.18173964","A2a":"37.36651139","A2b":"40.14458576","A2c":"55.20469016","A2d":"45.05707656","A2e":"50.94610944","A2f":"41.27879216","A3a":"33.7814563","A3b":"59.09566353","A3c":"112.0931331","A3d":"69.02835326","A3e":"85.51020688","A3f":"49.70167349","A3g":"77.12418673","A3h":"75.37185417","A3i":"44.18712176","A3j":"33.54248272","A3k":"74.35989804","A3l":"28.39997764","A3m":"47.2352332","A3n":"46.89465252","B1a":"61.66171775","B1b":"70.02397924","B1c":"91.96324873","B1d":"49.6417884","B1e":"60.19491215","B1f":"77.99534088","B2a":"96.10868051","B2b":"52.03232699","B2c":"50.38253992","B2d":"32.56062933","B2e":"61.57919253","B2f":"53.57805973","B3a":"95.21663759","B3aa":"65.24281728","B3b":"125.3106032","B3bb":"48.78744818","B3c":"83.47200103","B3d":"60.10048083","B3e":"58.45595465","B3f":"41.16195909","B3g":"36.16878333","B3h":"61.23674908","B3i":"72.9240156","B3j":"39.18628906","B3k":"33.51999533","B3l":"68.07949965","B3m":"38.73247448","B3n":"59.05833411","B3o":"68.57027435","B3p":"32.39874121","B3q":"79.63346835","B3r":"66.289797","B3s":"51.72532559","B3t":"37.50202378","B3u":"106.3556726","B3v":"66.35809131","B3w":"60.82953567","B3x":"62.28661103","B3y":"74.41051216","B3z":"48.91030508"},{"Metabolite":"Uracil","A1a":"156.8653749","A1b":"11.27446423","A1c":"37.31742643","A1d":"34.53712493","A1e":"18.54116011","A1f":"24.21775552","A2a":"2.655638023","A2b":"2.083381999","A2c":"20.21023762","A2d":"31.45230462","A2e":"5.213372157","A2f":"3.298045247","A3a":"33.4527769","A3b":"24.80769073","A3c":"42.60478088","A3d":"155.6888528","A3e":"57.78253761","A3f":"50.81668608","A3g":"15.68777066","A3h":"44.21481051","A3i":"1.870819559","A3j":"5.132120462","A3k":"7.905746628","A3l":"14.62693584","A3m":"15.31654899","A3n":"1.870721158","B1a":"102.8151537","B1b":"61.55015643","B1c":"107.3361139","B1d":"3.619298958","B1e":"24.08712472","B1f":"18.22868669","B2a":"15.93054481","B2b":"116.5090426","B2c":"8.118642715","B2d":"2.908017852","B2e":"2.772170188","B2f":"5.661239046","B3a":"40.87638552","B3aa":"5.559661904","B3b":"52.15065186","B3bb":"13.39599837","B3c":"38.90168884","B3d":"121.2882502","B3e":"100.7006586","B3f":"19.93285005","B3g":"47.9530283","B3h":"41.54571122","B3i":"97.68853444","B3j":"22.05327069","B3k":"20.21677746","B3l":"63.06371164","B3m":"40.26558014","B3n":"36.75196886","B3o":"53.58504485","B3p":"106.0792452","B3q":"9.543637476","B3r":"110.7529013","B3s":"75.43513378","B3t":"8.081767694","B3u":"43.47445534","B3v":"220.5477418","B3w":"74.7660186","B3x":"45.58483852","B3y":"8.677820902","B3z":"4.09315612"},{"Metabolite":"Creatinine","A1a":"239.4078085","A1b":"176.8478258","A1c":"281.0365546","A1d":"432.0439506","A1e":"149.4863474","A1f":"279.4002515","A2a":"226.0310844","A2b":"86.27660342","A2c":"132.653826","A2d":"128.6193195","A2e":"70.27639609","A2f":"70.83093694","A3a":"149.1168402","A3b":"1791.749162","A3c":"400.198335","A3d":"267.1275385","A3e":"451.7471862","A3f":"221.4513628","A3g":"128.6700798","A3h":"424.0409425","A3i":"4346.707442","A3j":"128.004453","A3k":"1284.522336","A3l":"69.66321063","A3m":"243.5412448","A3n":"111.916186","B1a":"342.3324096","B1b":"4310.564831","B1c":"5291.029056","B1d":"723.5514911","B1e":"83.81627557","B1f":"4861.424565","B2a":"2228.463636","B2b":"1373.833836","B2c":"423.3511336","B2d":"214.7855353","B2e":"97.87076957","B2f":"897.1830911","B3a":"629.6328723","B3aa":"195.2617165","B3b":"737.8217079","B3bb":"2078.614224","B3c":"651.9712834","B3d":"377.4623271","B3e":"274.3675622","B3f":"268.4261099","B3g":"119.8482415","B3h":"2378.561051","B3i":"475.0884811","B3j":"297.3876102","B3k":"710.3258648","B3l":"296.6289242","B3m":"254.0968659","B3n":"3158.802564","B3o":"237.7936179","B3p":"365.5413821","B3q":"143.9562776","B3r":"540.5419217","B3s":"550.2274951","B3t":"177.6314686","B3u":"3160.7961","B3v":"361.0018541","B3w":"348.2681504","B3x":"16861.58642","B3y":"243.3321867","B3z":"193.4241372"},{"Metabolite":"Dihydrouracil","A1a":"36.82310384","A1b":"14.75105471","A1c":"24.23646979","A1d":"24.88239137","A1e":"7.603096176","A1f":"16.20583698","A2a":"7.761373641","A2b":"6.945650159","A2c":"5.185123294","A2d":"18.02610505","A2e":"10.63715446","A2f":"25.78410077","A3a":"29.99048665","A3b":"7.223933835","A3c":"22.82307304","A3d":"30.01062098","A3e":"21.02950483","A3f":"12.25022385","A3g":"9.510383604","A3h":"28.34283655","A3i":"15.4053147","A3j":"13.04528472","A3k":"6.31873129","A3l":"20.91501697","A3m":"28.34761786","A3n":"14.50399915","B1a":"10.55230269","B1b":"16.28897315","B1c":"21.25470523","B1d":"4.280604905","B1e":"7.850045736","B1f":"5.564419518","B2a":"6.388623805","B2b":"9.632578934","B2c":"2.895743045","B2d":"2.801222192","B2e":"4.041686674","B2f":"2.710108892","B3a":"4.82441121","B3aa":"22.94565376","B3b":"6.553955782","B3bb":"33.67645285","B3c":"7.721581599","B3d":"25.19063706","B3e":"15.5424957","B3f":"20.04223971","B3g":"56.57311745","B3h":"46.22719812","B3i":"106.4493841","B3j":"9.142443268","B3k":"11.57898851","B3l":"8.840406561","B3m":"18.2228652","B3n":"47.97423289","B3o":"21.26642648","B3p":"7.454567486","B3q":"11.39646452","B3r":"77.4960335","B3s":"21.67694074","B3t":"52.32645552","B3u":"11.96468716","B3v":"12.77899521","B3w":"12.54517581","B3x":"67.87968879","B3y":"7.493633988","B3z":"29.02512854"},{"Metabolite":"L-Proline","A1a":"6575.933655","A1b":"2046.463144","A1c":"799.3164589","A1d":"2207.201987","A1e":"1069.974869","A1f":"4448.320083","A2a":"7420.051089","A2b":"389.4444554","A2c":"2135.014275","A2d":"2722.060881","A2e":"1579.215919","A2f":"3505.828949","A3a":"5238.290344","A3b":"1633.894748","A3c":"6541.310463","A3d":"8987.095932","A3e":"8482.361393","A3f":"2869.894829","A3g":"1949.421759","A3h":"2897.971679","A3i":"4445.278472","A3j":"1419.888848","A3k":"1328.193953","A3l":"196.3120618","A3m":"2253.028672","A3n":"1616.988082","B1a":"7526.241237","B1b":"4056.001493","B1c":"4992.698787","B1d":"622.2782306","B1e":"2084.899474","B1f":"5788.013821","B2a":"2060.912644","B2b":"1224.759167","B2c":"127.9865741","B2d":"1062.146618","B2e":"199.4982955","B2f":"834.3021614","B3a":"661.0881888","B3aa":"1817.620964","B3b":"913.1747817","B3bb":"2077.512472","B3c":"720.1977994","B3d":"1039.253801","B3e":"4757.709286","B3f":"2982.282962","B3g":"2554.486651","B3h":"2198.950174","B3i":"5312.186454","B3j":"802.0585064","B3k":"8583.784204","B3l":"1798.039071","B3m":"2224.645446","B3n":"2647.570762","B3o":"1511.937636","B3p":"3034.602944","B3q":"1118.862579","B3r":"9073.621705","B3s":"2912.790254","B3t":"1354.722582","B3u":"3064.285449","B3v":"17689.17476","B3w":"7665.440864","B3x":"19460.31232","B3y":"2674.284424","B3z":"1814.785203"},{"Metabolite":"Methyl acetate","A1a":"6571.964778","A1b":"2045.037314","A1c":"867.0953418","A1d":"2212.689605","A1e":"1074.552482","A1f":"4452.134143","A2a":"7415.569115","A2b":"392.3606188","A2c":"2147.069318","A2d":"2721.421393","A2e":"1583.625412","A2f":"3531.279546","A3a":"5243.00035","A3b":"1796.95179","A3c":"6553.559777","A3d":"8981.973174","A3e":"8485.002993","A3f":"2871.900599","A3g":"1955.113605","A3h":"2915.3776","A3i":"4488.454816","A3j":"1448.744007","A3k":"1240.059803","A3l":"200.6537037","A3m":"2251.727367","A3n":"1618.337446","B1a":"7565.930269","B1b":"4058.04339","B1c":"4996.124363","B1d":"627.9167281","B1e":"2087.953379","B1f":"5787.930438","B2a":"2029.455887","B2b":"1205.277466","B2c":"124.701853","B2d":"1065.011558","B2e":"203.2522428","B2f":"843.2849953","B3a":"671.2019464","B3aa":"1817.347224","B3b":"921.7630569","B3bb":"1514.711097","B3c":"722.0776904","B3d":"1040.156598","B3e":"4747.389932","B3f":"2997.013016","B3g":"2554.889729","B3h":"2199.739936","B3i":"5309.919293","B3j":"807.819994","B3k":"8624.362289","B3l":"1800.593332","B3m":"2233.659933","B3n":"2648.132226","B3o":"1514.021032","B3p":"3029.279844","B3q":"1155.308962","B3r":"9070.752734","B3s":"2908.899478","B3t":"1378.358666","B3u":"3015.516013","B3v":"17687.09169","B3w":"7668.276335","B3x":"19494.86781","B3y":"2721.935387","B3z":"1817.46812"},{"Metabolite":"Levulinic acid","A1a":"14.41106228","A1b":"80.08909642","A1c":"91.5776029","A1d":"36.10577306","A1e":"48.56715506","A1f":"9.632483139","A2a":"27.67201663","A2b":"9.564994332","A2c":"47.8018943","A2d":"39.52708883","A2e":"35.45022753","A2f":"6.599916564","A3a":"29.96809309","A3b":"36.48642327","A3c":"50.1031403","A3d":"15.99527813","A3e":"50.80158943","A3f":"44.09569492","A3g":"39.60804795","A3h":"31.95588485","A3i":"23.25724587","A3j":"25.50838611","A3k":"43.01881736","A3l":"26.44643293","A3m":"24.7338825","A3n":"24.02815948","B1a":"57.18599586","B1b":"64.60523033","B1c":"63.64199163","B1d":"46.00139794","B1e":"16.46479166","B1f":"64.20889291","B2a":"64.23304891","B2b":"52.93571801","B2c":"20.39141358","B2d":"32.72728046","B2e":"33.05662717","B2f":"1134.951135","B3a":"65.63435092","B3aa":"38.1812998","B3b":"60.47191798","B3bb":"43.21328974","B3c":"57.85801368","B3d":"41.810043","B3e":"11.42850424","B3f":"27.18769909","B3g":"25.52308067","B3h":"15.87799382","B3i":"39.26156397","B3j":"10.0362077","B3k":"22.67059554","B3l":"32.68906104","B3m":"29.28894834","B3n":"21.24600248","B3o":"32.02634389","B3p":"19.77327679","B3q":"11.88390181","B3r":"20.26305344","B3s":"27.94646093","B3t":"9.163862274","B3u":"59.47810376","B3v":"17.75464121","B3w":"16.14722625","B3x":"55.18629242","B3y":"38.24713103","B3z":"28.08106455"},{"Metabolite":"Acetylglycine ","A1a":"16.97917209","A1b":"14.3759456","A1c":"7.16170116","A1d":"8.016537871","A1e":"9.154937631","A1f":"9.656225201","A2a":"11.06404087","A2b":"7.724293805","A2c":"3.57130208","A2d":"9.089374874","A2e":"11.84248752","A2f":"5.980302583","A3a":"16.88921441","A3b":"2.757476408","A3c":"18.7453847","A3d":"18.12718219","A3e":"14.1172188","A3f":"7.580959174","A3g":"3.299613837","A3h":"7.935136727","A3i":"19.77629037","A3j":"20.73895727","A3k":"1.7938124","A3l":"11.37396483","A3m":"10.81935298","A3n":"13.96606528","B1a":"19.87448968","B1b":"16.95294565","B1c":"19.56913913","B1d":"2.823869322","B1e":"8.818427156","B1f":"13.53551126","B2a":"3.756535385","B2b":"9.191537921","B2c":"3.161483493","B2d":"2.980271951","B2e":"3.041649002","B2f":"1.021002865","B3a":"2.195674691","B3aa":"15.90845874","B3b":"2.979133906","B3bb":"15.35301021","B3c":"5.29906513","B3d":"26.00588371","B3e":"19.50494061","B3f":"6.33412017","B3g":"8.808533114","B3h":"11.54575732","B3i":"30.67187691","B3j":"5.294731089","B3k":"5.133965609","B3l":"8.217612997","B3m":"7.743710512","B3n":"29.23066738","B3o":"4.864586867","B3p":"12.27316122","B3q":"6.643186517","B3r":"17.41569582","B3s":"16.94400569","B3t":"18.1240297","B3u":"9.572303453","B3v":"26.52204621","B3w":"27.74207994","B3x":"19.92768866","B3y":"12.11552361","B3z":"15.4247659"},{"Metabolite":"Indole","A1a":"43.39808686","A1b":"46.92641152","A1c":"34.9947391","A1d":"50.4901659","A1e":"32.37848657","A1f":"41.46606028","A2a":"21.30597118","A2b":"23.43601266","A2c":"32.07230208","A2d":"31.95717327","A2e":"22.78685605","A2f":"22.3310505","A3a":"27.33273879","A3b":"29.858367","A3c":"44.94498541","A3d":"43.30284743","A3e":"40.5028153","A3f":"32.20707319","A3g":"34.98173233","A3h":"59.22467324","A3i":"30.44874894","A3j":"29.26876598","A3k":"49.91103826","A3l":"26.5669041","A3m":"25.41328069","A3n":"23.95256422","B1a":"46.13139357","B1b":"44.48384936","B1c":"54.9709063","B1d":"33.14253936","B1e":"27.47890851","B1f":"49.94816547","B2a":"54.25511901","B2b":"45.3526608","B2c":"29.35352069","B2d":"30.51275234","B2e":"26.86352495","B2f":"26.86409247","B3a":"63.26584927","B3aa":"30.12280237","B3b":"59.67651742","B3bb":"34.13440361","B3c":"52.22349663","B3d":"35.03129351","B3e":"29.94930252","B3f":"24.81259595","B3g":"27.15279345","B3h":"58.77468497","B3i":"52.8060613","B3j":"30.52504286","B3k":"23.21837906","B3l":"28.58437942","B3m":"35.95245657","B3n":"42.36741992","B3o":"30.70261216","B3p":"30.10030357","B3q":"21.6830467","B3r":"47.1800515","B3s":"23.94856113","B3t":"25.96543167","B3u":"57.87348733","B3v":"37.51633756","B3w":"43.06807238","B3x":"55.02019784","B3y":"34.50744576","B3z":"26.85289654"},{"Metabolite":"L-Valine","A1a":"17457.32808","A1b":"1636.875804","A1c":"8839.421714","A1d":"10401.70167","A1e":"3292.467787","A1f":"20737.67274","A2a":"12194.13282","A2b":"2944.642595","A2c":"6280.740414","A2d":"2369.178709","A2e":"5514.174216","A2f":"4797.634523","A3a":"2936.23859","A3b":"1176.774205","A3c":"30760.89577","A3d":"12392.82049","A3e":"12615.8776","A3f":"5753.250734","A3g":"6534.856128","A3h":"11446.22801","A3i":"15246.95584","A3j":"5585.645381","A3k":"1741.178048","A3l":"2862.103294","A3m":"4002.894734","A3n":"3746.51972","B1a":"2246.488487","B1b":"3735.503988","B1c":"7137.123439","B1d":"1485.822034","B1e":"4001.481343","B1f":"2590.244878","B2a":"1427.693604","B2b":"2432.246806","B2c":"1855.784502","B2d":"793.0714706","B2e":"1723.290385","B2f":"2997.656202","B3a":"1252.299022","B3aa":"1924.300838","B3b":"1481.024172","B3bb":"2806.60453","B3c":"1127.419579","B3d":"2222.014709","B3e":"1640.791096","B3f":"1273.092928","B3g":"2414.06586","B3h":"4488.146597","B3i":"7637.083473","B3j":"2360.620796","B3k":"9569.612231","B3l":"2148.892969","B3m":"2279.418774","B3n":"3334.271893","B3o":"6245.11404","B3p":"16366.14221","B3q":"2203.596411","B3r":"5092.785712","B3s":"20371.30807","B3t":"6549.864044","B3u":"4067.79187","B3v":"24103.5787","B3w":"5108.687354","B3x":"4049.61547","B3y":"7702.962772","B3z":"2167.543123"},{"Metabolite":"Succinic acid","A1a":"6.282020075","A1b":"7.947738674","A1c":"54.85990107","A1d":"4.434999295","A1e":"49.00525261","A1f":"1.991743604","A2a":"41.43228151","A2b":"39.97298829","A2c":"45.12585939","A2d":"46.7445457","A2e":"44.88594795","A2f":"30.51042622","A3a":"22.57389673","A3b":"42.59690072","A3c":"2.953283083","A3d":"2.701379722","A3e":"2.153901298","A3f":"20.38450428","A3g":"31.56415558","A3h":"7.000632305","A3i":"16.74996153","A3j":"41.99938419","A3k":"21.50121606","A3l":"49.40959316","A3m":"21.70097458","A3n":"29.93486016","B1a":"8.868112488","B1b":"4.312549497","B1c":"3.85454542","B1d":"56.43978926","B1e":"42.52693498","B1f":"4.631020248","B2a":"7.65791252","B2b":"8.340654972","B2c":"44.3901046","B2d":"49.04292777","B2e":"27.40586806","B2f":"46.17844928","B3a":"24.36551722","B3aa":"33.90369659","B3b":"10.57355417","B3bb":"38.79146078","B3c":"16.6559124","B3d":"29.97988621","B3e":"28.32706176","B3f":"32.47954156","B3g":"44.66852454","B3h":"6.287064939","B3i":"1.405581332","B3j":"43.30358116","B3k":"38.10068359","B3l":"32.49402593","B3m":"33.84688665","B3n":"5.142272077","B3o":"26.29957759","B3p":"40.9759368","B3q":"42.41447475","B3r":"10.98191043","B3s":"33.7249279","B3t":"45.94964572","B3u":"5.322714939","B3v":"6.352877568","B3w":"4.856019248","B3x":"5.547617989","B3y":"22.82413341","B3z":"51.65624953"},{"Metabolite":"alpha-Methylstyrene","A1a":"127.643495","A1b":"233.7272243","A1c":"134.9418804","A1d":"202.3320969","A1e":"126.0510402","A1f":"152.752896","A2a":"87.68251337","A2b":"109.0041301","A2c":"120.7430029","A2d":"114.3539882","A2e":"106.7679757","A2f":"83.04290379","A3a":"112.7883521","A3b":"118.5719717","A3c":"191.831776","A3d":"145.0911756","A3e":"159.2186171","A3f":"138.7118203","A3g":"120.8246385","A3h":"181.7636319","A3i":"86.87915696","A3j":"103.5606132","A3k":"156.3496348","A3l":"106.401918","A3m":"98.09630989","A3n":"89.31624937","B1a":"142.1940431","B1b":"157.1777935","B1c":"155.3800053","B1d":"139.3025159","B1e":"118.2732478","B1f":"182.9145217","B2a":"195.1336058","B2b":"144.7676778","B2c":"96.13976733","B2d":"96.60375548","B2e":"94.69372613","B2f":"90.27642336","B3a":"227.005291","B3aa":"172.4643893","B3b":"206.8972637","B3bb":"127.6110365","B3c":"179.3855123","B3d":"128.3566959","B3e":"109.7567986","B3f":"107.8983075","B3g":"120.1468639","B3h":"216.0901035","B3i":"168.7470859","B3j":"132.9596008","B3k":"104.2655969","B3l":"129.6806672","B3m":"129.147193","B3n":"204.232282","B3o":"144.2270039","B3p":"81.80094363","B3q":"148.9914338","B3r":"189.820496","B3s":"81.40006593","B3t":"99.31499422","B3u":"206.3900765","B3v":"121.6303167","B3w":"163.1630029","B3x":"169.2507225","B3y":"159.6041985","B3z":"80.02052312"},{"Metabolite":"Homoserine","A1a":"226.214677","A1b":"81.367758","A1c":"32.21260828","A1d":"75.81524572","A1e":"24.48813698","A1f":"183.6380253","A2a":"28.95256223","A2b":"36.2990971","A2c":"34.75165406","A2d":"54.35617613","A2e":"10.89375076","A2f":"21.29679227","A3a":"55.58038176","A3b":"27.7354235","A3c":"245.3258784","A3d":"175.4799524","A3e":"119.3134377","A3f":"62.89096729","A3g":"36.16830202","A3h":"76.5171341","A3i":"57.12834625","A3j":"40.67132393","A3k":"54.25680576","A3l":"29.30570503","A3m":"46.4231735","A3n":"19.23512321","B1a":"164.2925734","B1b":"147.7921094","B1c":"202.8498813","B1d":"18.83351637","B1e":"61.06456965","B1f":"238.5685443","B2a":"103.4574318","B2b":"44.98768885","B2c":"20.51765388","B2d":"17.7416947","B2e":"20.82257525","B2f":"39.49170079","B3a":"41.87793456","B3aa":"20.62125059","B3b":"52.58835427","B3bb":"57.3367494","B3c":"48.34881145","B3d":"31.78060995","B3e":"37.50788754","B3f":"63.88633343","B3g":"58.36370587","B3h":"114.5456341","B3i":"196.4792109","B3j":"25.95594287","B3k":"39.15094216","B3l":"57.5971551","B3m":"54.31679456","B3n":"59.13763599","B3o":"98.43238846","B3p":"33.3230202","B3q":"23.98798833","B3r":"214.366675","B3s":"27.4480882","B3t":"24.41429293","B3u":"98.31693065","B3v":"430.0585174","B3w":"238.2252964","B3x":"86.97001557","B3y":"50.30312353","B3z":"22.97769649"},{"Metabolite":"Acetophenone ","A1a":"140.5209567","A1b":"339.8777829","A1c":"89.79848792","A1d":"64.626652","A1e":"93.51474222","A1f":"118.6666016","A2a":"72.4821109","A2b":"7.576008514","A2c":"24.38484869","A2d":"9.88431157","A2e":"85.4839323","A2f":"61.24119314","A3a":"257.0526939","A3b":"154.3788517","A3c":"426.3160426","A3d":"68.34910669","A3e":"444.1111907","A3f":"516.8415022","A3g":"18.17375289","A3h":"96.0825053","A3i":"79.7877919","A3j":"21.21285641","A3k":"8.59885743","A3l":"71.52601482","A3m":"94.5353927","A3n":"62.30773341","B1a":"523.117532","B1b":"156.9693936","B1c":"107.2659047","B1d":"201.1093357","B1e":"1165.064451","B1f":"129.081045","B2a":"190.3758983","B2b":"136.7698472","B2c":"28.52229275","B2d":"71.41996391","B2e":"101.2275399","B2f":"355.1448556","B3a":"151.3719759","B3aa":"118.3392966","B3b":"141.5152924","B3bb":"91.45052081","B3c":"16.61588783","B3d":"102.9315967","B3e":"85.98363383","B3f":"52.37339251","B3g":"238.856642","B3h":"164.6044848","B3i":"451.7001098","B3j":"34.44009589","B3k":"725.3421696","B3l":"94.37827987","B3m":"11.09400432","B3n":"140.2116664","B3o":"1307.454652","B3p":"5071.580624","B3q":"314.0120183","B3r":"448.3299186","B3s":"6552.957173","B3t":"312.8677023","B3u":"370.1240629","B3v":"271.9991807","B3w":"1916.41844","B3x":"718.6454643","B3y":"99.39353453","B3z":"260.1159282"},{"Metabolite":"Benzamide","A1a":"102.485639","A1b":"25.93711418","A1c":"11.48698102","A1d":"29.47123405","A1e":"13.80660941","A1f":"41.61297766","A2a":"9.277943726","A2b":"12.7430469","A2c":"11.54050683","A2d":"15.16176534","A2e":"12.02084936","A2f":"11.8403286","A3a":"13.51647683","A3b":"14.18419905","A3c":"73.40789096","A3d":"108.7896675","A3e":"47.84371952","A3f":"13.72942809","A3g":"13.21487734","A3h":"31.78191274","A3i":"11.64030066","A3j":"12.64404381","A3k":"25.0484168","A3l":"12.8665087","A3m":"13.86146862","A3n":"10.71931547","B1a":"32.44290702","B1b":"74.34051503","B1c":"28.92440435","B1d":"14.25821853","B1e":"13.54501359","B1f":"25.61881787","B2a":"12.45976242","B2b":"25.36416205","B2c":"13.12345394","B2d":"12.9319327","B2e":"14.20934578","B2f":"12.55575763","B3a":"8.841645911","B3aa":"13.82927917","B3b":"14.43864058","B3bb":"15.0984441","B3c":"16.44884445","B3d":"17.49139029","B3e":"18.43394669","B3f":"12.16894518","B3g":"23.46194052","B3h":"88.00953924","B3i":"138.3500963","B3j":"14.93136785","B3k":"12.11651538","B3l":"15.48167729","B3m":"14.12693587","B3n":"48.55843676","B3o":"12.80501515","B3p":"10.66922162","B3q":"14.2410404","B3r":"143.3433515","B3s":"11.17881507","B3t":"12.55884243","B3u":"85.84293647","B3v":"114.8075188","B3w":"52.84208041","B3x":"73.89065731","B3y":"15.5475058","B3z":"12.80424901"},{"Metabolite":"Cytidine","A1a":"4029.532336","A1b":"10340.80993","A1c":"3243.930276","A1d":"5659.383338","A1e":"3123.608102","A1f":"4192.420452","A2a":"2758.170148","A2b":"3218.763651","A2c":"3321.052673","A2d":"3481.751352","A2e":"2932.9221","A2f":"2626.332512","A3a":"2797.131244","A3b":"3648.698284","A3c":"4547.18756","A3d":"4970.250993","A3e":"4757.660268","A3f":"3490.433064","A3g":"3326.805622","A3h":"5243.460679","A3i":"2382.48433","A3j":"2947.882474","A3k":"4605.176647","A3l":"3724.98935","A3m":"3161.970958","A3n":"2794.363703","B1a":"4119.170397","B1b":"5591.320497","B1c":"5869.58611","B1d":"3875.111577","B1e":"2792.006707","B1f":"5103.654583","B2a":"5648.301901","B2b":"4187.657922","B2c":"3748.712866","B2d":"3404.422836","B2e":"3339.212468","B2f":"3384.575683","B3a":"6045.636433","B3aa":"3145.559803","B3b":"6627.670092","B3bb":"4401.949534","B3c":"5965.649215","B3d":"3994.103627","B3e":"2978.099964","B3f":"2908.885878","B3g":"3103.402235","B3h":"6127.789986","B3i":"5012.304572","B3j":"2819.347053","B3k":"3138.809573","B3l":"3267.014729","B3m":"3850.474469","B3n":"4888.873257","B3o":"3157.133713","B3p":"2894.773611","B3q":"3125.389145","B3r":"5188.373436","B3s":"2947.229313","B3t":"2890.406456","B3u":"5805.118176","B3v":"2764.159682","B3w":"4331.249646","B3x":"5428.167379","B3y":"3263.166807","B3z":"2584.962799"},{"Metabolite":"Uridine","A1a":"11.7961187","A1b":"54.6344811","A1c":"379.8557372","A1d":"50.78234321","A1e":"240.8443834","A1f":"16.41685312","A2a":"189.837084","A2b":"155.6421292","A2c":"382.3862207","A2d":"354.2398254","A2e":"308.2858176","A2f":"152.2719465","A3a":"466.1090289","A3b":"458.5844668","A3c":"10.9024401","A3d":"36.7232112","A3e":"14.92299037","A3f":"592.082533","A3g":"475.130715","A3h":"870.7934","A3i":"190.0815846","A3j":"316.3163365","A3k":"145.8272931","A3l":"260.9492443","A3m":"377.7462541","A3n":"130.6630047","B1a":"30.83947125","B1b":"33.26646018","B1c":"17.73998003","B1d":"252.4614714","B1e":"327.3080353","B1f":"595.3392432","B2a":"831.6436594","B2b":"1019.845951","B2c":"161.1040964","B2d":"187.0952786","B2e":"129.00116","B2f":"275.4602016","B3a":"479.626872","B3aa":"300.2329893","B3b":"615.9499065","B3bb":"535.8777541","B3c":"475.07834","B3d":"1049.000694","B3e":"1114.458457","B3f":"225.9937815","B3g":"352.2569258","B3h":"37.56550324","B3i":"15.53176211","B3j":"80.83310665","B3k":"501.1493194","B3l":"445.3749062","B3m":"427.8253646","B3n":"500.8209846","B3o":"849.6260218","B3p":"244.808973","B3q":"296.5605767","B3r":"25.11615239","B3s":"506.9538557","B3t":"301.8545953","B3u":"34.54424919","B3v":"19.92838973","B3w":"28.23873337","B3x":"16.99586347","B3y":"463.2589926","B3z":"282.6910213"},{"Metabolite":"Benzoic acid","A1a":"11.599726","A1b":"50.28764555","A1c":"307.8964819","A1d":"50.4655233","A1e":"248.5355308","A1f":"8.759699542","A2a":"162.013494","A2b":"101.8778199","A2c":"352.5180895","A2d":"356.3036195","A2e":"271.2851567","A2f":"107.0337369","A3a":"433.5232304","A3b":"408.9716342","A3c":"7.996895041","A3d":"35.5348453","A3e":"13.38399038","A3f":"571.9100484","A3g":"443.620059","A3h":"788.2235914","A3i":"153.9339114","A3j":"245.3086197","A3k":"146.0281933","A3l":"214.3803878","A3m":"315.8196639","A3n":"130.0012918","B1a":"25.55369511","B1b":"41.65148305","B1c":"14.19027898","B1d":"250.0236207","B1e":"294.9962732","B1f":"538.3331078","B2a":"760.7597235","B2b":"1032.548166","B2c":"190.0881803","B2d":"147.7627329","B2e":"72.33269821","B2f":"274.1311203","B3a":"466.2010574","B3aa":"264.6602158","B3b":"629.5203148","B3bb":"510.620474","B3c":"476.7590947","B3d":"1043.558568","B3e":"1127.243204","B3f":"222.5348313","B3g":"311.2904031","B3h":"31.46231187","B3i":"12.94354725","B3j":"292.4327773","B3k":"462.2391387","B3l":"410.6225068","B3m":"429.0251104","B3n":"440.3956783","B3o":"864.0947875","B3p":"208.2715199","B3q":"254.3657469","B3r":"15.25210628","B3s":"450.2261195","B3t":"293.314296","B3u":"31.01339557","B3v":"17.47033161","B3w":"26.17599353","B3x":"13.26608961","B3y":"443.4269513","B3z":"252.1947877"},{"Metabolite":"Biotin","A1a":"358.619783","A1b":"497.6878815","A1c":"296.9916386","A1d":"555.2858141","A1e":"298.249505","A1f":"399.4811352","A2a":"239.5229418","A2b":"287.8247632","A2c":"312.757573","A2d":"311.2896401","A2e":"262.2405083","A2f":"263.212753","A3a":"249.7189173","A3b":"300.2424933","A3c":"499.6525515","A3d":"473.6554643","A3e":"346.7201342","A3f":"303.8020003","A3g":"297.8229886","A3h":"433.8937524","A3i":"253.669078","A3j":"246.4375578","A3k":"406.9405025","A3l":"336.6964325","A3m":"297.8001645","A3n":"224.5792188","B1a":"459.8873715","B1b":"469.5529221","B1c":"497.8277532","B1d":"316.530688","B1e":"282.6575646","B1f":"407.454098","B2a":"569.0328981","B2b":"370.8614584","B2c":"263.0511598","B2d":"312.1836927","B2e":"291.796328","B2f":"266.4016521","B3a":"603.9617018","B3aa":"280.3270061","B3b":"558.413402","B3bb":"408.3172023","B3c":"481.0047954","B3d":"319.6521543","B3e":"283.227618","B3f":"225.7903371","B3g":"288.1589229","B3h":"719.0757767","B3i":"462.6144876","B3j":"527.1489609","B3k":"260.5791194","B3l":"288.3621125","B3m":"284.6915161","B3n":"477.9711179","B3o":"259.5254519","B3p":"262.5525885","B3q":"322.5788714","B3r":"553.7264661","B3s":"194.2329515","B3t":"281.7366588","B3u":"496.3690108","B3v":"292.3413267","B3w":"394.9157924","B3x":"496.5014998","B3y":"265.5565029","B3z":"247.4178478"},{"Metabolite":"Nicotinic acid","A1a":"365.7651939","A1b":"76.36682311","A1c":"139.51109","A1d":"118.9155782","A1e":"134.6802172","A1f":"199.4242169","A2a":"319.4944492","A2b":"323.9908667","A2c":"125.7244546","A2d":"74.65245308","A2e":"215.5636493","A2f":"52.59323032","A3a":"191.7256775","A3b":"104.7412541","A3c":"343.4249559","A3d":"303.982667","A3e":"166.7521175","A3f":"156.0305393","A3g":"101.2656213","A3h":"110.3185581","A3i":"378.3590971","A3j":"448.5112422","A3k":"54.91680187","A3l":"230.3762517","A3m":"90.80492394","A3n":"171.340329","B1a":"210.3298499","B1b":"230.9594104","B1c":"315.6488146","B1d":"48.21493689","B1e":"155.3351259","B1f":"129.1909318","B2a":"45.99208246","B2b":"130.2618425","B2c":"38.87783717","B2d":"28.37672205","B2e":"34.95309822","B2f":"36.81266042","B3a":"38.7839514","B3aa":"244.4310885","B3b":"45.61897978","B3bb":"215.1224348","B3c":"35.67351615","B3d":"96.69458766","B3e":"105.2045191","B3f":"212.0504954","B3g":"149.9026229","B3h":"205.8100767","B3i":"492.5923665","B3j":"63.01686845","B3k":"133.1787511","B3l":"133.9684865","B3m":"256.5585908","B3n":"99.82682962","B3o":"326.9333491","B3p":"363.5323856","B3q":"50.77166258","B3r":"291.5249949","B3s":"146.5861956","B3t":"154.5300533","B3u":"157.6129297","B3v":"397.0184353","B3w":"188.7947867","B3x":"158.6348265","B3y":"310.2524065","B3z":"263.4116364"},{"Metabolite":"Dichloromethane","A1a":"1666.558841","A1b":"2038.559315","A1c":"28110.73374","A1d":"1017.159495","A1e":"34614.71012","A1f":"555.1090326","A2a":"34154.9694","A2b":"44022.41547","A2c":"28816.07202","A2d":"31991.17403","A2e":"32026.11943","A2f":"40686.07137","A3a":"38487.71731","A3b":"40680.81005","A3c":"787.8926664","A3d":"782.441767","A3e":"678.6169515","A3f":"29260.45409","A3g":"33273.08225","A3h":"5052.236321","A3i":"42853.28549","A3j":"45533.37638","A3k":"19727.48145","A3l":"54324.46234","A3m":"42726.09296","A3n":"38541.78393","B1a":"2905.145951","B1b":"2067.657376","B1c":"1227.580929","B1d":"39460.95335","B1e":"41319.78825","B1f":"2699.725177","B2a":"1482.047349","B2b":"15975.43223","B2c":"43231.34097","B2d":"50641.87728","B2e":"47272.83034","B2f":"40822.90074","B3a":"11518.72902","B3aa":"40595.03131","B3b":"10570.27056","B3bb":"29876.63121","B3c":"9339.139526","B3d":"28882.46064","B3e":"19978.3427","B3f":"45463.39937","B3g":"43515.26141","B3h":"2078.21236","B3i":"848.3204914","B3j":"49630.88121","B3k":"38407.97268","B3l":"38035.15292","B3m":"44575.82309","B3n":"3155.264911","B3o":"36413.33497","B3p":"41383.70146","B3q":"53234.42764","B3r":"3048.873447","B3s":"36239.11568","B3t":"46841.30049","B3u":"2671.843421","B3v":"1057.301897","B3w":"2229.386518","B3x":"1685.533271","B3y":"40576.20511","B3z":"48581.38295"},{"Metabolite":"Taurine","A1a":"327.7102377","A1b":"259.5451189","A1c":"219.2006053","A1d":"330.5618896","A1e":"169.5277068","A1f":"763.8447073","A2a":"231.726132","A2b":"160.8472323","A2c":"219.8443218","A2d":"253.5749339","A2e":"355.9086236","A2f":"59.22557329","A3a":"143.9720897","A3b":"90.26197309","A3c":"782.96129","A3d":"343.2102274","A3e":"238.580192","A3f":"261.8622497","A3g":"231.2680353","A3h":"290.2075622","A3i":"224.2534292","A3j":"343.6733076","A3k":"131.3731894","A3l":"136.1248082","A3m":"100.7217544","A3n":"95.59337063","B1a":"347.1696244","B1b":"477.6769371","B1c":"477.027168","B1d":"91.18602501","B1e":"95.80384096","B1f":"444.443793","B2a":"480.0304548","B2b":"187.4839571","B2c":"49.87957322","B2d":"61.70802415","B2e":"62.95933862","B2f":"36.88151274","B3a":"193.6159676","B3aa":"122.7308882","B3b":"193.420269","B3bb":"202.9771712","B3c":"187.0816579","B3d":"129.8265605","B3e":"94.8594883","B3f":"120.7702671","B3g":"147.4910066","B3h":"650.9589208","B3i":"690.9605766","B3j":"63.62167928","B3k":"116.0024671","B3l":"78.29470859","B3m":"129.5134872","B3n":"214.3517574","B3o":"593.7740528","B3p":"110.9891044","B3q":"72.26603006","B3r":"443.8496567","B3s":"150.1683794","B3t":"192.28397","B3u":"338.9138591","B3v":"417.6216618","B3w":"248.0978469","B3x":"278.2536844","B3y":"217.5569401","B3z":"77.84577673"},{"Metabolite":"2-(Dimethylamino)acetonitrile","A1a":"40.40596001","A1b":"55.62597825","A1c":"39.99611649","A1d":"90.6624233","A1e":"34.70614082","A1f":"44.20651414","A2a":"27.05940054","A2b":"36.39683061","A2c":"45.45266803","A2d":"38.15870583","A2e":"21.84977677","A2f":"34.81240069","A3a":"24.61517368","A3b":"43.40015469","A3c":"79.10489733","A3d":"45.69134881","A3e":"69.65330059","A3f":"64.87691476","A3g":"65.61157711","A3h":"63.49507767","A3i":"24.63510164","A3j":"29.09729752","A3k":"68.08509089","A3l":"23.57945944","A3m":"43.76002763","A3n":"33.45740494","B1a":"49.44597897","B1b":"54.49542275","B1c":"65.37707263","B1d":"43.6748838","B1e":"26.24024634","B1f":"81.11869202","B2a":"72.9075067","B2b":"41.23661896","B2c":"46.37485645","B2d":"26.78910335","B2e":"59.99421294","B2f":"41.35605477","B3a":"76.05423552","B3aa":"55.66023599","B3b":"85.14385622","B3bb":"34.2490618","B3c":"59.98427276","B3d":"38.41612204","B3e":"44.53889513","B3f":"32.40056425","B3g":"37.25596379","B3h":"65.56556507","B3i":"55.37979806","B3j":"30.99124877","B3k":"25.77244798","B3l":"48.76578302","B3m":"25.74145133","B3n":"52.80276895","B3o":"56.00016273","B3p":"19.15297459","B3q":"45.51315168","B3r":"53.40114739","B3s":"36.65143382","B3t":"39.29693082","B3u":"70.64698071","B3v":"53.09348556","B3w":"49.74327465","B3x":"48.44846098","B3y":"49.24530023","B3z":"45.16163066"},{"Metabolite":"1-Methylhistamine","A1a":"42.62709698","A1b":"58.66438398","A1c":"41.72509519","A1d":"129.9115853","A1e":"36.25934938","A1f":"46.06919823","A2a":"29.08917273","A2b":"65.09225254","A2c":"48.751227","A2d":"40.16723345","A2e":"25.23193538","A2f":"38.06391776","A3a":"26.2647875","A3b":"46.76177319","A3c":"84.04166137","A3d":"48.71475653","A3e":"70.97604306","A3f":"33.99010436","A3g":"69.46621477","A3h":"58.05288722","A3i":"25.76645892","A3j":"30.89046949","A3k":"76.74117327","A3l":"32.45132725","A3m":"47.22248303","A3n":"35.5244189","B1a":"51.37971987","B1b":"56.95523409","B1c":"71.23027199","B1d":"45.68590049","B1e":"49.73557524","B1f":"71.12214222","B2a":"76.2025301","B2b":"42.60154507","B2c":"49.26687988","B2d":"27.89555977","B2e":"64.5198181","B2f":"42.53379169","B3a":"79.91845284","B3aa":"59.68575465","B3b":"89.69408083","B3bb":"35.96164774","B3c":"63.52813193","B3d":"40.29866651","B3e":"46.52971991","B3f":"32.2687023","B3g":"55.68644129","B3h":"65.56556507","B3i":"57.82671901","B3j":"31.2657225","B3k":"26.59535072","B3l":"52.27897165","B3m":"26.89711918","B3n":"51.29792294","B3o":"65.18017629","B3p":"20.11752842","B3q":"46.37807133","B3r":"57.01854472","B3s":"39.05388603","B3t":"39.29693082","B3u":"73.43417394","B3v":"55.86554304","B3w":"48.64566169","B3x":"48.06902264","B3y":"52.16561234","B3z":"43.52231143"},{"Metabolite":"Thymine","A1a":"254.355562","A1b":"13.25910537","A1c":"12.09711914","A1d":"14.24988002","A1e":"7.166121582","A1f":"56.97290652","A2a":"77.99200018","A2b":"14.92856563","A2c":"5.92561148","A2d":"15.13182799","A2e":"31.71610575","A2f":"8.815532923","A3a":"23.99520982","A3b":"7.577411183","A3c":"113.8989002","A3d":"254.2243176","A3e":"46.64531993","A3f":"30.28102037","A3g":"4.868506876","A3h":"16.31875078","A3i":"37.57419747","A3j":"47.57754023","A3k":"2.165228032","A3l":"49.89323647","A3m":"16.8453866","A3n":"14.03669607","B1a":"47.58816975","B1b":"20.99697594","B1c":"45.98277349","B1d":"5.868855544","B1e":"14.14948436","B1f":"16.3596326","B2a":"7.640880228","B2b":"12.05757966","B2c":"5.337894841","B2d":"2.372776181","B2e":"2.112660843","B2f":"1.910238783","B3a":"4.538641061","B3aa":"10.71855977","B3b":"5.148803794","B3bb":"15.95676124","B3c":"3.595704246","B3d":"17.28643824","B3e":"13.94361695","B3f":"9.437524787","B3g":"29.23775532","B3h":"18.83699792","B3i":"49.86005053","B3j":"11.32383276","B3k":"21.77953035","B3l":"13.81270174","B3m":"18.24636426","B3n":"15.56446148","B3o":"80.85486043","B3p":"55.8374291","B3q":"10.91477478","B3r":"40.43247958","B3s":"62.99810126","B3t":"37.17402063","B3u":"18.19022682","B3v":"882.2675201","B3w":"82.27947983","B3x":"53.07573382","B3y":"31.2617","B3z":"16.58256679"},{"Metabolite":"Dihydrothymine","A1a":"125.1873803","A1b":"61.86303732","A1c":"51.58167971","A1d":"43.05643002","A1e":"43.9171215","A1f":"39.71338516","A2a":"25.73907713","A2b":"9.902678176","A2c":"42.30518093","A2d":"38.27031537","A2e":"42.8546349","A2f":"9.549743383","A3a":"42.55455397","A3b":"26.11396862","A3c":"73.82868195","A3d":"112.0660116","A3e":"43.64147482","A3f":"16.73819374","A3g":"44.22042164","A3h":"48.20463882","A3i":"27.43332755","A3j":"44.64219954","A3k":"26.22742899","A3l":"10.45604834","A3m":"33.7699203","A3n":"10.14892473","B1a":"78.10333235","B1b":"41.79207667","B1c":"86.83098256","B1d":"8.961470454","B1e":"22.01327292","B1f":"58.21750366","B2a":"105.1913817","B2b":"100.9744473","B2c":"25.98737059","B2d":"6.553700337","B2e":"9.299146326","B2f":"77.3508788","B3a":"78.9197011","B3aa":"22.94720036","B3b":"78.13409093","B3bb":"26.3309742","B3c":"80.94571955","B3d":"82.14798629","B3e":"66.67785268","B3f":"26.17072134","B3g":"25.93400428","B3h":"45.19022597","B3i":"88.59399587","B3j":"33.17499754","B3k":"56.09761281","B3l":"40.84178959","B3m":"30.46299448","B3n":"59.51681284","B3o":"143.5552891","B3p":"120.9672153","B3q":"14.0977507","B3r":"186.8905021","B3s":"161.0776034","B3t":"21.89577384","B3u":"152.0697097","B3v":"135.4517857","B3w":"104.758795","B3x":"95.67509823","B3y":"81.46455798","B3z":"20.63311517"},{"Metabolite":"Pyroglutamic acid ","A1a":"669.8028546","A1b":"502.9690765","A1c":"156.5023216","A1d":"456.4349497","A1e":"105.933191","A1f":"662.6762615","A2a":"817.5843838","A2b":"21.18529543","A2c":"108.3283434","A2d":"172.6859699","A2e":"97.25937423","A2f":"173.0809484","A3a":"342.1499228","A3b":"168.3845717","A3c":"798.6307155","A3d":"705.7210729","A3e":"310.6228724","A3f":"185.7180925","A3g":"132.9460003","A3h":"338.9242833","A3i":"321.0444067","A3j":"98.34685844","A3k":"358.4045167","A3l":"111.8682908","A3m":"163.611614","A3n":"117.2143491","B1a":"1004.306275","B1b":"1032.573507","B1c":"965.3189599","B1d":"63.49743271","B1e":"229.413885","B1f":"720.1924592","B2a":"413.6736041","B2b":"343.0366935","B2c":"54.11553778","B2d":"44.07608089","B2e":"39.44946323","B2f":"146.5406681","B3a":"279.940738","B3aa":"91.13802337","B3b":"219.3849753","B3bb":"205.9269391","B3c":"336.8171662","B3d":"172.1989984","B3e":"201.5834842","B3f":"98.52520667","B3g":"234.6061078","B3h":"709.3115626","B3i":"953.7407024","B3j":"88.45230253","B3k":"258.0248695","B3l":"286.4189711","B3m":"199.4974949","B3n":"202.6335892","B3o":"190.7682488","B3p":"195.5227958","B3q":"63.62681863","B3r":"839.2639324","B3s":"255.3149981","B3t":"105.558211","B3u":"609.1591413","B3v":"2020.938962","B3w":"1583.30675","B3x":"624.729218","B3y":"357.5415731","B3z":"59.08681057"},{"Metabolite":"Pipecolic acid","A1a":"946.1767021","A1b":"281.8849312","A1c":"151.7266135","A1d":"273.9802106","A1e":"139.4718605","A1f":"579.1057124","A2a":"511.9829254","A2b":"116.1123092","A2c":"264.1422404","A2d":"283.8964261","A2e":"238.8333558","A2f":"113.4904789","A3a":"278.0038343","A3b":"154.6247695","A3c":"926.74028","A3d":"1208.761203","A3e":"936.9796607","A3f":"460.5882483","A3g":"273.1136562","A3h":"438.5313479","A3i":"289.4060944","A3j":"170.697923","A3k":"255.2823681","A3l":"19.40452913","A3m":"195.1631209","A3n":"218.2787167","B1a":"617.6822104","B1b":"739.9898728","B1c":"730.8260005","B1d":"87.94037626","B1e":"203.1767201","B1f":"1006.478853","B2a":"324.0448946","B2b":"390.3071802","B2c":"50.77917817","B2d":"10.19361664","B2e":"10.41632618","B2f":"59.8452126","B3a":"167.0633296","B3aa":"280.2538184","B3b":"189.111119","B3bb":"427.2186714","B3c":"185.6699296","B3d":"272.2369211","B3e":"359.953325","B3f":"129.4460594","B3g":"227.9428148","B3h":"530.1485364","B3i":"1353.817519","B3j":"103.7293913","B3k":"393.948918","B3l":"310.1379447","B3m":"320.0157744","B3n":"421.0209745","B3o":"608.0434136","B3p":"134.2846274","B3q":"63.96193768","B3r":"802.1031","B3s":"268.8970156","B3t":"241.8375332","B3u":"601.9873591","B3v":"3165.538199","B3w":"1432.644355","B3x":"1171.057294","B3y":"259.6424787","B3z":"130.2833088"},{"Metabolite":"Acetylputrescine","A1a":"154.7401692","A1b":"38.45281106","A1c":"176.169484","A1d":"19.69246632","A1e":"72.17565574","A1f":"136.0810608","A2a":"434.0130875","A2b":"79.42370576","A2c":"59.61990469","A2d":"40.26690497","A2e":"82.33147878","A2f":"60.36731252","A3a":"55.03348545","A3b":"17.28198338","A3c":"283.4552704","A3d":"152.6337388","A3e":"140.9098826","A3f":"84.25079667","A3g":"72.70315863","A3h":"42.67174825","A3i":"82.2657155","A3j":"69.64841958","A3k":"50.54534841","A3l":"43.22606806","A3m":"99.07087916","A3n":"86.10501777","B1a":"54.157559","B1b":"46.23321043","B1c":"38.92900597","B1d":"46.18629052","B1e":"62.92660923","B1f":"53.34744108","B2a":"13.29069563","B2b":"37.39500655","B2c":"54.96883366","B2d":"20.1299952","B2e":"4.032351467","B2f":"24.67351464","B3a":"19.16850231","B3aa":"39.0402742","B3b":"19.91561927","B3bb":"41.03083233","B3c":"26.90291035","B3d":"30.36376776","B3e":"30.33649877","B3f":"133.425266","B3g":"50.20272082","B3h":"41.7065679","B3i":"127.5866489","B3j":"43.26131893","B3k":"200.2182073","B3l":"41.80068839","B3m":"27.9172824","B3n":"49.194626","B3o":"68.408107","B3p":"183.8911139","B3q":"55.66181227","B3r":"128.9528954","B3s":"302.2708452","B3t":"42.04709226","B3u":"22.28179464","B3v":"305.5822673","B3w":"85.27854465","B3x":"103.0477272","B3y":"127.428903","B3z":"15.70814057"},{"Metabolite":"5-Aminolevulinic acid","A1a":"13.1647812","A1b":"10.83453504","A1c":"7.43218736","A1d":"12.33874081","A1e":"7.483040606","A1f":"15.25900435","A2a":"6.913410863","A2b":"8.200186962","A2c":"9.175166106","A2d":"8.815886245","A2e":"15.22151243","A2f":"4.587355277","A3a":"10.50029374","A3b":"5.628329151","A3c":"21.86442419","A3d":"15.31904584","A3e":"7.539068921","A3f":"10.5115971","A3g":"8.28489234","A3h":"15.83130581","A3i":"10.5972796","A3j":"16.6198035","A3k":"6.764571453","A3l":"3.987705398","A3m":"7.008153801","A3n":"2.177643627","B1a":"18.38553879","B1b":"9.317590914","B1c":"21.76489353","B1d":"2.890884795","B1e":"7.965595295","B1f":"13.55708741","B2a":"6.398830193","B2b":"10.04104982","B2c":"3.249425045","B2d":"1.322080162","B2e":"2.091819418","B2f":"4.895411587","B3a":"3.851645151","B3aa":"5.348477264","B3b":"4.870428358","B3bb":"7.03783948","B3c":"3.430603244","B3d":"14.045001","B3e":"7.99982522","B3f":"6.619532499","B3g":"6.786438267","B3h":"10.15176462","B3i":"8.54358005","B3j":"3.92263041","B3k":"7.674767624","B3l":"4.69888381","B3m":"6.369463829","B3n":"64.69302287","B3o":"21.6221283","B3p":"4.650014138","B3q":"4.100046811","B3r":"6.77530591","B3s":"15.48536562","B3t":"4.245403301","B3u":"11.33183025","B3v":"5.347172271","B3w":"13.24103468","B3x":"10.86996002","B3y":"5.997061147","B3z":"6.258426157"},{"Metabolite":"Creatine","A1a":"1688.897973","A1b":"994.6598947","A1c":"1430.116823","A1d":"2460.663126","A1e":"628.6977387","A1f":"1626.736366","A2a":"852.6141957","A2b":"253.4972105","A2c":"681.442887","A2d":"629.444718","A2e":"1053.798038","A2f":"250.5026318","A3a":"600.6989551","A3b":"2005.831901","A3c":"2060.450718","A3d":"1305.103033","A3e":"1212.200328","A3f":"733.3327164","A3g":"682.7600119","A3h":"2143.94167","A3i":"5103.704091","A3j":"947.5043353","A3k":"1487.969225","A3l":"472.4695424","A3m":"524.4539305","A3n":"368.3725588","B1a":"1509.827235","B1b":"5132.172051","B1c":"7252.415617","B1d":"1002.96984","B1e":"430.6629525","B1f":"5997.106055","B2a":"3271.653455","B2b":"2243.67976","B2c":"470.3729397","B2d":"334.1189244","B2e":"208.0857354","B2f":"1590.680816","B3a":"1171.93632","B3aa":"511.1620023","B3b":"1314.492092","B3bb":"2651.934151","B3c":"1228.335465","B3d":"945.6342548","B3e":"817.8949568","B3f":"497.4229817","B3g":"478.524106","B3h":"3527.35008","B3i":"2297.159253","B3j":"420.8430063","B3k":"1368.598851","B3l":"574.4921205","B3m":"562.2923714","B3n":"3781.859468","B3o":"1223.099422","B3p":"948.7107026","B3q":"548.8571278","B3r":"2763.051801","B3s":"1498.217273","B3t":"939.401354","B3u":"4660.381434","B3v":"1646.88532","B3w":"1327.833318","B3x":"18753.48581","B3y":"850.6173352","B3z":"542.7797289"},{"Metabolite":"L-Leucine","A1a":"7560.316976","A1b":"2325.903337","A1c":"698.5081151","A1d":"949.6952239","A1e":"608.2435536","A1f":"3990.716265","A2a":"4471.163164","A2b":"1974.60306","A2c":"696.2930986","A2d":"2759.408381","A2e":"1924.715898","A2f":"1163.473528","A3a":"2993.900235","A3b":"947.3617145","A3c":"6711.573104","A3d":"8810.31648","A3e":"5133.923604","A3f":"2162.929491","A3g":"551.0820624","A3h":"1363.264822","A3i":"4718.033312","A3j":"4660.262547","A3k":"974.1633109","A3l":"1029.664326","A3m":"2872.907669","A3n":"2096.928475","B1a":"5186.397928","B1b":"3342.866934","B1c":"5659.310638","B1d":"178.4227482","B1e":"1544.358089","B1f":"1367.843391","B2a":"1255.759938","B2b":"1464.831171","B2c":"118.1137739","B2d":"170.113009","B2e":"186.176671","B2f":"191.6466717","B3a":"466.1760401","B3aa":"1328.821663","B3b":"805.8011911","B3bb":"1476.199596","B3c":"425.0087973","B3d":"2202.559376","B3e":"2836.903298","B3f":"1606.091605","B3g":"3041.5191","B3h":"1711.417012","B3i":"5394.94384","B3j":"781.3361344","B3k":"1003.514524","B3l":"2266.129477","B3m":"1638.591132","B3n":"1369.807729","B3o":"4075.513591","B3p":"3075.924156","B3q":"391.7515367","B3r":"3692.798869","B3s":"2887.499529","B3t":"2224.779583","B3u":"2102.736495","B3v":"19926.98853","B3w":"7055.860018","B3x":"3739.702382","B3y":"2086.749814","B3z":"1382.711172"},{"Metabolite":"6-Hydroxyhexanoic acid","A1a":"18.77874399","A1b":"3.987028735","A1c":"12.51356062","A1d":"19.77419793","A1e":"13.83452494","A1f":"4.409514393","A2a":"9.718954437","A2b":"11.11108586","A2c":"2.439702497","A2d":"12.47834788","A2e":"11.22893971","A2f":"10.06416924","A3a":"10.04279444","A3b":"13.05053545","A3c":"17.60673896","A3d":"17.50977522","A3e":"15.02959523","A3f":"12.53328764","A3g":"14.14609353","A3h":"20.2668422","A3i":"2.735432966","A3j":"8.844602776","A3k":"18.13415446","A3l":"8.887096273","A3m":"9.549947309","A3n":"60.74640677","B1a":"18.80659121","B1b":"18.40957434","B1c":"27.50559455","B1d":"14.74028071","B1e":"12.60106571","B1f":"4.880890152","B2a":"23.50495444","B2b":"17.23855724","B2c":"11.8851282","B2d":"10.0150569","B2e":"11.03758218","B2f":"11.14479261","B3a":"28.34371236","B3aa":"10.35114183","B3b":"22.01204765","B3bb":"14.76631904","B3c":"23.70103177","B3d":"14.78423547","B3e":"12.31249173","B3f":"10.12859679","B3g":"12.07525174","B3h":"23.16989618","B3i":"20.03534966","B3j":"14.10895861","B3k":"1.845043733","B3l":"14.47599182","B3m":"10.44169053","B3n":"15.20249479","B3o":"12.92727376","B3p":"9.222740832","B3q":"11.69453042","B3r":"21.480312","B3s":"10.41423985","B3t":"10.89177971","B3u":"18.10913024","B3v":"7.499452673","B3w":"15.42667344","B3x":"16.0013225","B3y":"10.3906345","B3z":"1.671555997"},{"Metabolite":"Ornithine","A1a":"6858.682533","A1b":"2315.66861","A1c":"886.5531606","A1d":"2307.954627","A1e":"1143.304342","A1f":"4844.436609","A2a":"7452.240203","A2b":"423.0315928","A2c":"2227.570408","A2d":"2804.642204","A2e":"1641.962873","A2f":"3562.628789","A3a":"5330.414213","A3b":"1838.063141","A3c":"815.6364598","A3d":"9297.91202","A3e":"8908.639905","A3f":"3024.688428","A3g":"2032.452104","A3h":"3048.391334","A3i":"4558.281761","A3j":"1452.295619","A3k":"1333.577616","A3l":"212.6052836","A3m":"2330.513035","A3n":"1757.435893","B1a":"7620.620304","B1b":"4196.465592","B1c":"5104.393593","B1d":"683.1064521","B1e":"2163.435396","B1f":"6206.162548","B2a":"2065.809295","B2b":"1330.864415","B2c":"144.256123","B2d":"1078.756435","B2e":"216.9830252","B2f":"877.9575216","B3a":"704.5072143","B3aa":"2037.893363","B3b":"971.0919492","B3bb":"1739.840661","B3c":"785.9393209","B3d":"1113.404308","B3e":"4811.446807","B3f":"3066.884015","B3g":"2634.004125","B3h":"2334.898687","B3i":"5620.754326","B3j":"850.5322345","B3k":"8708.173756","B3l":"1917.192025","B3m":"2372.249791","B3n":"2749.114757","B3o":"1716.842131","B3p":"3073.745289","B3q":"1167.632029","B3r":"9427.788866","B3s":"3000.096424","B3t":"1582.54008","B3u":"2943.6152","B3v":"18239.08972","B3w":"8185.125595","B3x":"1204.827385","B3y":"270.8714049","B3z":"1930.612551"},{"Metabolite":"L-Aspartic acid","A1a":"430.6162775","A1b":"222.7024716","A1c":"32.19199065","A1d":"105.2612422","A1e":"13.61226237","A1f":"333.6241276","A2a":"38.87541389","A2b":"18.13814722","A2c":"37.0718123","A2d":"15.4826019","A2e":"20.6695589","A2f":"19.21697632","A3a":"20.63873775","A3b":"12.95311144","A3c":"294.5093652","A3d":"292.0347101","A3e":"141.1679036","A3f":"18.8627148","A3g":"24.6550018","A3h":"47.42330389","A3i":"47.04522063","A3j":"14.24304122","A3k":"41.75795462","A3l":"11.3848368","A3m":"15.82864179","A3n":"22.23693608","B1a":"226.0967167","B1b":"230.3669003","B1c":"216.8219681","B1d":"5.926007434","B1e":"63.21904172","B1f":"266.9417663","B2a":"69.37726837","B2b":"36.65675849","B2c":"6.513162818","B2d":"6.751202431","B2e":"4.401569691","B2f":"23.7733843","B3a":"34.4658794","B3aa":"17.91414644","B3b":"37.6820456","B3bb":"19.50756976","B3c":"70.24726166","B3d":"20.66343227","B3e":"14.06158599","B3f":"9.639589321","B3g":"15.79629508","B3h":"258.3378006","B3i":"331.6551043","B3j":"10.19368957","B3k":"10.79493163","B3l":"25.16719234","B3m":"34.65431392","B3n":"61.27000869","B3o":"17.71303714","B3p":"13.03588352","B3q":"6.937077079","B3r":"382.2044788","B3s":"16.29556839","B3t":"14.17439534","B3u":"267.7276184","B3v":"644.0195187","B3w":"416.8107637","B3x":"215.5961275","B3y":"19.39712857","B3z":"8.98736712"},{"Metabolite":"Homocysteine","A1a":"1.69521577","A1b":"28.75726196","A1c":"41.56162346","A1d":"2.077401675","A1e":"0.640192983","A1f":"0.880125552","A2a":"0.483339244","A2b":"5.895358779","A2c":"0.662191081","A2d":"17.786801","A2e":"0.565645015","A2f":"0.527091602","A3a":"2.158374756","A3b":"0.606599794","A3c":"11.74913919","A3d":"0.962959715","A3e":"0.893152247","A3f":"13.64072207","A3g":"22.45850433","A3h":"27.54692661","A3i":"0.501982582","A3j":"0.538552525","A3k":"0.836673861","A3l":"0.524979078","A3m":"0.531067552","A3n":"0.995450705","B1a":"16.85225518","B1b":"58.10452554","B1c":"0.972210825","B1d":"17.83622672","B1e":"0.588484816","B1f":"1.013705366","B2a":"28.33348196","B2b":"0.957274649","B2c":"0.612636702","B2d":"0.554033883","B2e":"1.012585594","B2f":"1.361714455","B3a":"54.0101285","B3aa":"1.189297547","B3b":"2.206500341","B3bb":"0.773925252","B3c":"28.48601983","B3d":"0.753199","B3e":"16.9484406","B3f":"0.561376773","B3g":"0.554920141","B3h":"11.37607136","B3i":"2.924145154","B3j":"1.339882004","B3k":"0.532230156","B3l":"0.654134362","B3m":"0.613146521","B3n":"0.955792505","B3o":"21.38384868","B3p":"0.466087526","B3q":"0.594881067","B3r":"25.61347766","B3s":"0.901691064","B3t":"17.55707267","B3u":"1.032291568","B3v":"0.731662825","B3w":"0.905914963","B3x":"0.961587404","B3y":"0.656098564","B3z":"0.540514099"},{"Metabolite":"Adenine","A1a":"68.98299882","A1b":"79.68552665","A1c":"27.97653735","A1d":"36.43815889","A1e":"4.925734463","A1f":"48.58428642","A2a":"7.345820494","A2b":"0.541669973","A2c":"12.43492956","A2d":"47.96531087","A2e":"0.693062313","A2f":"1.816932181","A3a":"30.83830616","A3b":"25.45939236","A3c":"79.58521761","A3d":"58.21688235","A3e":"32.11568938","A3f":"23.95999104","A3g":"15.98148555","A3h":"40.45081603","A3i":"5.419595115","A3j":"5.96185912","A3k":"6.433832966","A3l":"104.4999794","A3m":"10.06087002","A3n":"1.376750585","B1a":"30.12054436","B1b":"50.65900733","B1c":"235.3565325","B1d":"21.69081844","B1e":"43.99556722","B1f":"58.07562465","B2a":"53.33746073","B2b":"84.34106133","B2c":"2.936924162","B2d":"8.45900651","B2e":"3.327379243","B2f":"34.05759809","B3a":"78.04867288","B3aa":"0.879596046","B3b":"100.6398926","B3bb":"17.04231095","B3c":"47.65625506","B3d":"69.42876611","B3e":"63.79102209","B3f":"27.77038796","B3g":"107.047729","B3h":"62.64245869","B3i":"116.8599727","B3j":"45.88790451","B3k":"13.55179079","B3l":"61.76732525","B3m":"59.09824445","B3n":"82.82647719","B3o":"117.6070069","B3p":"120.0334745","B3q":"29.09371517","B3r":"170.8368782","B3s":"89.15032444","B3t":"7.740973062","B3u":"42.07960997","B3v":"5.901963253","B3w":"115.7915341","B3x":"168.2801568","B3y":"23.99860385","B3z":"1.188209045"},{"Metabolite":"Hypoxanthine","A1a":"288.7461105","A1b":"135.6279767","A1c":"47.71502139","A1d":"235.6518497","A1e":"24.19474079","A1f":"109.439303","A2a":"5.58676856","A2b":"3.217238019","A2c":"62.00288956","A2d":"165.8251913","A2e":"3.073817225","A2f":"5.579690747","A3a":"76.56315436","A3b":"62.20799233","A3c":"241.7522496","A3d":"461.3306606","A3e":"197.4833454","A3f":"184.3304624","A3g":"62.28599741","A3h":"230.5934356","A3i":"3.854217648","A3j":"6.569735786","A3k":"11.85267864","A3l":"18.35268108","A3m":"15.56153393","A3n":"2.47546155","B1a":"371.8122318","B1b":"202.3236","B1c":"315.227163","B1d":"36.5533943","B1e":"16.10038169","B1f":"23.16802552","B2a":"135.0306683","B2b":"317.2848582","B2c":"16.1283497","B2d":"16.19840914","B2e":"13.0736937","B2f":"21.7000744","B3a":"172.5591146","B3aa":"5.470652084","B3b":"191.1500807","B3bb":"88.76948638","B3c":"134.4846243","B3d":"214.0040888","B3e":"155.5676009","B3f":"51.09477109","B3g":"181.5291967","B3h":"255.4259022","B3i":"509.6151236","B3j":"64.07948546","B3k":"19.04622662","B3l":"121.8976101","B3m":"104.6621844","B3n":"96.54854885","B3o":"199.1336969","B3p":"121.8054798","B3q":"39.62578265","B3r":"295.9028251","B3s":"151.2263389","B3t":"5.907908957","B3u":"55.00808476","B3v":"880.2746628","B3w":"220.8837311","B3x":"62.99671523","B3y":"38.43837035","B3z":"3.614729971"},{"Metabolite":"Tyramine","A1a":"13.12230652","A1b":"131.5141575","A1c":"2.974522626","A1d":"29.04861794","A1e":"2.829869555","A1f":"49.57683192","A2a":"5.424758441","A2b":"1.709561472","A2c":"5.33765872","A2d":"1.63391504","A2e":"2.895088658","A2f":"1.561340016","A3a":"54.7889012","A3b":"53.08265694","A3c":"83.09286133","A3d":"27.77270289","A3e":"167.6230828","A3f":"98.27224569","A3g":"5.692413585","A3h":"35.76844452","A3i":"1.631106688","A3j":"5.058418464","A3k":"2.678831372","A3l":"2.095054684","A3m":"10.81855086","A3n":"1.546421403","B1a":"141.7065281","B1b":"57.44013378","B1c":"50.30191875","B1d":"65.933789","B1e":"455.9970059","B1f":"52.5874732","B2a":"15.11640816","B2b":"1.113346303","B2c":"11.79315925","B2d":"0.87553185","B2e":"5.80858753","B2f":"42.81977766","B3a":"3.210661136","B3aa":"6.41055423","B3b":"3.78641267","B3bb":"29.6555463","B3c":"3.336724488","B3d":"2.462842643","B3e":"0.53711931","B3f":"20.81435967","B3g":"39.44397204","B3h":"65.49614927","B3i":"174.7505376","B3j":"14.96274311","B3k":"281.2799128","B3l":"2.506932616","B3m":"1.753784771","B3n":"47.19185638","B3o":"529.3939289","B3p":"2040.369643","B3q":"121.6852705","B3r":"162.7515873","B3s":"2527.404069","B3t":"119.7972657","B3u":"122.5376936","B3v":"40.11770372","B3w":"734.1537961","B3x":"286.2682266","B3y":"42.07991223","B3z":"47.82059889"},{"Metabolite":"Hydroxyhexanoycarnitine","A1a":"73.62167768","A1b":"1.29076951","A1c":"4.795461043","A1d":"6.375741188","A1e":"1.403054094","A1f":"24.65345239","A2a":"1.638936781","A2b":"0.634358922","A2c":"4.632007565","A2d":"4.332803594","A2e":"1.502835295","A2f":"36.00483636","A3a":"35.16116066","A3b":"6.244557818","A3c":"73.72502601","A3d":"96.08955708","A3e":"58.45845561","A3f":"17.88853718","A3g":"3.287697315","A3h":"10.85139773","A3i":"15.89458029","A3j":"5.240323043","A3k":"1.451776006","A3l":"7.403577357","A3m":"17.71059526","A3n":"8.939932065","B1a":"17.26075608","B1b":"7.554260983","B1c":"11.83729593","B1d":"0.583547961","B1e":"7.23497503","B1f":"2.661264555","B2a":"0.936044458","B2b":"5.470753449","B2c":"0.468791106","B2d":"1.219164459","B2e":"1.320157445","B2f":"0.473307812","B3a":"1.005892406","B3aa":"14.65041564","B3b":"0.947134046","B3bb":"11.58512255","B3c":"1.277303905","B3d":"6.628358796","B3e":"7.776799249","B3f":"13.96815675","B3g":"24.01025508","B3h":"5.319404398","B3i":"22.90066015","B3j":"7.627136108","B3k":"29.49645841","B3l":"15.79519902","B3m":"13.91959004","B3n":"9.181110692","B3o":"23.32297712","B3p":"25.15252047","B3q":"4.003532456","B3r":"9.36416384","B3s":"12.99873577","B3t":"24.43068691","B3u":"53.95465724","B3v":"129.5953061","B3w":"25.93546091","B3x":"41.24104751","B3y":"34.39885571","B3z":"14.97576744"},{"Metabolite":"4-Hydroxybenzoic acid","A1a":"12.20245255","A1b":"10.7853471","A1c":"6.188568526","A1d":"16.12825977","A1e":"6.697750821","A1f":"10.13345524","A2a":"3.741468851","A2b":"55.59462147","A2c":"4.550975675","A2d":"58.54993172","A2e":"4.658479044","A2f":"2.227078082","A3a":"47.15468872","A3b":"49.11374203","A3c":"7.907183227","A3d":"3.285221875","A3e":"3.598799461","A3f":"60.30912376","A3g":"60.55532522","A3h":"5.321032799","A3i":"38.45782584","A3j":"3.617428076","A3k":"66.57206573","A3l":"2.939575229","A3m":"41.67529482","A3n":"4.014869045","B1a":"81.42012806","B1b":"84.000834","B1c":"10.79967659","B1d":"5.678033347","B1e":"53.51751364","B1f":"9.220665009","B2a":"10.94355509","B2b":"5.0827295","B2c":"48.54869688","B2d":"3.342450063","B2e":"46.49652756","B2f":"50.44450367","B3a":"7.800529602","B3aa":"4.18461676","B3b":"11.93382553","B3bb":"73.56003763","B3c":"10.60070081","B3d":"52.99765974","B3e":"47.99370463","B3f":"2.000104781","B3g":"3.773945825","B3h":"9.803261377","B3i":"79.03824669","B3j":"42.23997886","B3k":"34.71997769","B3l":"46.38641603","B3m":"51.38826524","B3n":"77.35740722","B3o":"9.517528009","B3p":"45.27394053","B3q":"53.78155837","B3r":"7.163096325","B3s":"7.509201005","B3t":"3.185814039","B3u":"12.10192611","B3v":"72.15864035","B3w":"8.751425135","B3x":"7.437149337","B3y":"6.033904413","B3z":"7.990252627"},{"Metabolite":"Urocanic acid","A1a":"629.4610732","A1b":"245.8911443","A1c":"99.57419866","A1d":"152.9206097","A1e":"78.8915043","A1f":"436.5146003","A2a":"68.84257059","A2b":"322.4016763","A2c":"203.827993","A2d":"158.2637946","A2e":"127.6841397","A2f":"67.51000729","A3a":"289.2953403","A3b":"51.70710663","A3c":"756.7273642","A3d":"514.2259748","A3e":"640.7902498","A3f":"391.7697776","A3g":"223.1504734","A3h":"235.0525772","A3i":"220.1180616","A3j":"73.19499597","A3k":"39.0733448","A3l":"327.7337625","A3m":"142.8463662","A3n":"158.214401","B1a":"303.0024688","B1b":"91.78483124","B1c":"312.6072531","B1d":"26.1811279","B1e":"275.1325141","B1f":"251.0927404","B2a":"286.9783519","B2b":"221.2155544","B2c":"26.89374684","B2d":"26.7739462","B2e":"44.35214995","B2f":"34.88407222","B3a":"90.54560364","B3aa":"197.0238121","B3b":"142.6091254","B3bb":"183.0122386","B3c":"84.68304247","B3d":"246.4873501","B3e":"207.9892736","B3f":"566.714221","B3g":"230.4593255","B3h":"174.7144463","B3i":"309.5288464","B3j":"59.36553271","B3k":"91.2563914","B3l":"90.18930334","B3m":"251.9515053","B3n":"551.7447266","B3o":"726.5962369","B3p":"105.2894067","B3q":"45.14789708","B3r":"1113.590785","B3s":"118.058658","B3t":"113.6954039","B3u":"213.3766293","B3v":"989.8464411","B3w":"485.0464856","B3x":"327.383561","B3y":"187.5598742","B3z":"213.050137"},{"Metabolite":"Sulfate","A1a":"13.02977879","A1b":"22.28295968","A1c":"160.1434022","A1d":"18.02731559","A1e":"185.8597874","A1f":"6.821785315","A2a":"190.1142922","A2b":"261.7625345","A2c":"159.8438051","A2d":"177.0207352","A2e":"179.6760584","A2f":"246.6211315","A3a":"205.8703406","A3b":"251.9249929","A3c":"7.507997055","A3d":"10.75583158","A3e":"7.571630423","A3f":"170.1145153","A3g":"166.7865878","A3h":"83.17047652","A3i":"252.9471084","A3j":"267.9736198","A3k":"114.1346293","A3l":"277.9317014","A3m":"301.1844602","A3n":"256.6705646","B1a":"20.74775195","B1b":"16.01229333","B1c":"12.6676164","B1d":"237.3730119","B1e":"246.9770144","B1f":"79.20404464","B2a":"93.65291957","B2b":"93.66192731","B2c":"280.1613686","B2d":"272.3237756","B2e":"290.9677583","B2f":"241.1911967","B3a":"93.45855517","B3aa":"264.8763035","B3b":"95.75759888","B3bb":"184.9863982","B3c":"86.15753233","B3d":"180.848606","B3e":"98.04657849","B3f":"302.404132","B3g":"272.4035081","B3h":"21.67245549","B3i":"6.544327727","B3j":"334.0688868","B3k":"260.102618","B3l":"261.8301454","B3m":"327.3150006","B3n":"68.81650466","B3o":"235.328358","B3p":"253.5570868","B3q":"396.5883486","B3r":"31.60688463","B3s":"266.0149254","B3t":"358.7888215","B3u":"25.48647161","B3v":"11.01093653","B3w":"21.68152839","B3x":"14.70964413","B3y":"313.7706156","B3z":"299.7648798"},{"Metabolite":"Methylimidazoleacetic acid","A1a":"289.64725","A1b":"12.76080463","A1c":"60.464547","A1d":"25.28892945","A1e":"35.86615698","A1f":"288.5643452","A2a":"287.9647453","A2b":"50.76098124","A2c":"25.59734776","A2d":"51.51356301","A2e":"164.9474455","A2f":"95.80342661","A3a":"190.5504301","A3b":"12.81302955","A3c":"139.0181958","A3d":"216.9297639","A3e":"31.20379721","A3f":"40.07546203","A3g":"16.39266602","A3h":"31.93963879","A3i":"108.3218711","A3j":"47.38857206","A3k":"9.335132715","A3l":"61.2677727","A3m":"68.1259323","A3n":"41.28831893","B1a":"32.04648333","B1b":"101.5730847","B1c":"29.36423616","B1d":"14.81516868","B1e":"56.98257692","B1f":"82.76917434","B2a":"17.24724657","B2b":"94.54958163","B2c":"7.862934014","B2d":"7.905006417","B2e":"7.687313809","B2f":"9.014708007","B3a":"41.60299589","B3aa":"47.15026447","B3b":"29.50946231","B3bb":"36.31155519","B3c":"44.27580651","B3d":"22.58616529","B3e":"58.63259573","B3f":"100.934536","B3g":"27.15979607","B3h":"48.10424292","B3i":"132.9755353","B3j":"36.39652833","B3k":"112.8106234","B3l":"123.2804443","B3m":"41.62664137","B3n":"34.24084091","B3o":"36.37447149","B3p":"139.013602","B3q":"45.73883704","B3r":"29.89137234","B3s":"142.4191692","B3t":"141.5842485","B3u":"126.7981664","B3v":"461.7667806","B3w":"172.6401761","B3x":"44.55965412","B3y":"42.67430233","B3z":"150.0267254"},{"Metabolite":"Proline betaine","A1a":"42.23650814","A1b":"26.54011817","A1c":"715.7505139","A1d":"81.78544237","A1e":"13.22842934","A1f":"19.03420933","A2a":"434.4761313","A2b":"10.41853108","A2c":"600.122455","A2d":"44.5704495","A2e":"46.65026834","A2f":"24.14381366","A3a":"48.72645772","A3b":"13.92857344","A3c":"31.62257608","A3d":"21.27513087","A3e":"209.2984592","A3f":"79.5239545","A3g":"674.5343471","A3h":"284.0395134","A3i":"33.2248331","A3j":"233.5057287","A3k":"61.73427653","A3l":"90.79517812","A3m":"586.2584584","A3n":"163.4437841","B1a":"22.30195128","B1b":"23.12928609","B1c":"66.70167854","B1d":"10.04905651","B1e":"17.55591084","B1f":"14.67004997","B2a":"9.92359634","B2b":"271.6860773","B2c":"121.1271329","B2d":"5.457465701","B2e":"348.5142651","B2f":"79.13225016","B3a":"114.5438009","B3aa":"13.076726","B3b":"154.574284","B3bb":"13.28352952","B3c":"104.4621492","B3d":"863.0444058","B3e":"371.4166888","B3f":"9.860948905","B3g":"82.05743506","B3h":"20.39963644","B3i":"32.44992764","B3j":"77.06856542","B3k":"50.34023075","B3l":"12.10382234","B3m":"13.36262704","B3n":"86.63081905","B3o":"211.4768091","B3p":"14.13541302","B3q":"12.56957864","B3r":"42.78589465","B3s":"13.740343","B3t":"33.54447227","B3u":"39.77701626","B3v":"35.59272015","B3w":"119.2610258","B3x":"46.78734842","B3y":"83.60996306","B3z":"12.12800573"},{"Metabolite":"4-Trimethylammoniobutanoic acid","A1a":"1043.72703","A1b":"333.4458732","A1c":"498.4140001","A1d":"1044.137394","A1e":"171.1752787","A1f":"998.8274657","A2a":"588.8897511","A2b":"194.6671351","A2c":"445.3342457","A2d":"241.3122507","A2e":"234.6877343","A2f":"178.4555547","A3a":"229.5174713","A3b":"93.59245626","A3c":"1665.436599","A3d":"983.9085356","A3e":"809.1025639","A3f":"516.8557091","A3g":"485.3896202","A3h":"1079.945433","A3i":"846.2484573","A3j":"896.8964946","A3k":"100.609373","A3l":"296.0483142","A3m":"281.7406771","A3n":"247.0460309","B1a":"337.6292619","B1b":"428.5201587","B1c":"1130.032958","B1d":"89.44162841","B1e":"253.3025895","B1f":"229.7738631","B2a":"155.1986457","B2b":"160.1085923","B2c":"78.16440039","B2d":"31.04697988","B2e":"689.1360714","B2f":"85.59567335","B3a":"88.93906004","B3aa":"237.422851","B3b":"77.94373677","B3bb":"224.3525546","B3c":"97.44713485","B3d":"138.0205521","B3e":"160.874077","B3f":"349.7797916","B3g":"344.0232098","B3h":"498.6931748","B3i":"934.4533765","B3j":"106.9369095","B3k":"228.3136082","B3l":"124.3718881","B3m":"204.1197402","B3n":"261.465807","B3o":"576.43522","B3p":"251.3509627","B3q":"135.2361614","B3r":"443.653667","B3s":"321.0754408","B3t":"325.7015509","B3u":"325.4597639","B3v":"892.0693959","B3w":"383.9684964","B3x":"465.2294971","B3y":"389.0301976","B3z":"262.4114026"},{"Metabolite":"Spermidine","A1a":"52.68434743","A1b":"110.4995169","A1c":"34.86679502","A1d":"8.706037445","A1e":"28.19796123","A1f":"10.30659151","A2a":"106.408471","A2b":"10.17488672","A2c":"20.30658161","A2d":"135.7845281","A2e":"116.6941125","A2f":"19.45079335","A3a":"72.68732083","A3b":"17.07219683","A3c":"36.52892292","A3d":"43.44856192","A3e":"123.3826726","A3f":"102.8942206","A3g":"16.71398752","A3h":"17.87143024","A3i":"57.66751376","A3j":"43.27859197","A3k":"10.28381643","A3l":"192.169818","A3m":"57.85111218","A3n":"20.67086979","B1a":"55.65150963","B1b":"35.21491414","B1c":"37.37932855","B1d":"43.77827791","B1e":"291.5617039","B1f":"10.22101251","B2a":"25.40122009","B2b":"92.8365029","B2c":"10.00210229","B2d":"16.29655349","B2e":"11.59070253","B2f":"9.837697452","B3a":"6.577511707","B3aa":"11.28067847","B3b":"11.26145252","B3bb":"66.38249433","B3c":"10.46114302","B3d":"140.2680226","B3e":"139.7982878","B3f":"61.3716934","B3g":"238.5612118","B3h":"15.34443023","B3i":"189.1237963","B3j":"192.4397287","B3k":"65.90628005","B3l":"268.8899448","B3m":"240.8229991","B3n":"45.63198812","B3o":"171.9080859","B3p":"266.7739881","B3q":"33.98105512","B3r":"70.2420741","B3s":"264.5045632","B3t":"28.52524635","B3u":"4.703872008","B3v":"70.49851607","B3w":"25.02358998","B3x":"22.32700414","B3y":"64.5759752","B3z":"17.33424312"},{"Metabolite":"Oxoglutaric acid ","A1a":"1.628449626","A1b":"94.25543081","A1c":"0.638173625","A1d":"2.467110188","A1e":"1.075328838","A1f":"1.41244111","A2a":"0.962801584","A2b":"0.68417522","A2c":"0.973322887","A2d":"0.712180731","A2e":"0.791906643","A2f":"0.850078202","A3a":"0.775552106","A3b":"0.653441687","A3c":"1.126308753","A3d":"1.137800215","A3e":"19.71586693","A3f":"0.815712581","A3g":"1.043618339","A3h":"1.055612442","A3i":"0.60814835","A3j":"0.853759963","A3k":"0.599762069","A3l":"1.30415873","A3m":"0.905496272","A3n":"0.891334805","B1a":"0.974166848","B1b":"1.093631069","B1c":"2.648958517","B1d":"0.536796208","B1e":"0.604259235","B1f":"1.688836254","B2a":"1.435996533","B2b":"0.903861562","B2c":"0.651992751","B2d":"0.426658647","B2e":"0.651577298","B2f":"0.389251321","B3a":"1.307662491","B3aa":"0.627404537","B3b":"0.753106268","B3bb":"0.961520099","B3c":"0.646284557","B3d":"0.840921468","B3e":"1.651857392","B3f":"0.761509848","B3g":"0.847320906","B3h":"1.894531592","B3i":"2.88998284","B3j":"0.422235869","B3k":"0.813410852","B3l":"0.490293083","B3m":"0.852560698","B3n":"0.924480347","B3o":"0.952516187","B3p":"0.668400205","B3q":"0.683622245","B3r":"1.168540105","B3s":"1.136094505","B3t":"0.552247441","B3u":"1.379463718","B3v":"2.320848839","B3w":"1.567567878","B3x":"1.195398423","B3y":"0.832469935","B3z":"0.690291332"},{"Metabolite":"Coumarin","A1a":"24.10269107","A1b":"16.85339323","A1c":"10.13009389","A1d":"11.51975178","A1e":"11.01632981","A1f":"14.12155898","A2a":"16.49128479","A2b":"9.243093665","A2c":"5.904643184","A2d":"13.91119087","A2e":"28.79539585","A2f":"12.23151407","A3a":"26.97772198","A3b":"3.507828793","A3c":"30.87651251","A3d":"27.8205228","A3e":"19.00676227","A3f":"11.75203951","A3g":"3.255732643","A3h":"11.9326614","A3i":"32.10669707","A3j":"33.34185174","A3k":"3.419005834","A3l":"13.90602715","A3m":"29.62696557","A3n":"21.27803287","B1a":"32.45335978","B1b":"20.57496734","B1c":"20.73683995","B1d":"3.925489915","B1e":"11.26662943","B1f":"19.52247101","B2a":"5.269561318","B2b":"11.46421641","B2c":"2.557908962","B2d":"12.09915339","B2e":"1.309124483","B2f":"13.22791213","B3a":"2.796792252","B3aa":"21.54268775","B3b":"6.924009066","B3bb":"19.00360865","B3c":"2.994276314","B3d":"12.84548063","B3e":"13.86822946","B3f":"8.749935513","B3g":"14.72842379","B3h":"17.85236367","B3i":"41.67812054","B3j":"5.267003146","B3k":"7.815159114","B3l":"11.42261613","B3m":"10.89233628","B3n":"10.04806051","B3o":"17.08246342","B3p":"25.02548595","B3q":"8.915668611","B3r":"21.64042609","B3s":"36.06373841","B3t":"29.11868032","B3u":"15.78795024","B3v":"37.02109125","B3w":"40.15753253","B3x":"37.11932554","B3y":"18.1275053","B3z":"33.193861"},{"Metabolite":"Adipic acid","A1a":"26.64400809","A1b":"94.4961094","A1c":"2328.417412","A1d":"160.1616892","A1e":"52.27749968","A1f":"68.63042617","A2a":"17.87130347","A2b":"42.94580174","A2c":"20.88892037","A2d":"14.40749276","A2e":"41.53469393","A2f":"32.72034814","A3a":"21.27142244","A3b":"23.08825586","A3c":"29.59992277","A3d":"35.3568493","A3e":"38.29253958","A3f":"109.466034","A3g":"19.91291203","A3h":"173.641125","A3i":"31.07019408","A3j":"64.32671882","A3k":"50.65056508","A3l":"31.56836654","A3m":"181.5494328","A3n":"21.84794588","B1a":"30.84641614","B1b":"30.89061113","B1c":"85.65230887","B1d":"14.51054095","B1e":"14.31709256","B1f":"34.51245281","B2a":"25.75932172","B2b":"42.37103667","B2c":"347.242954","B2d":"32.13661884","B2e":"40.84218131","B2f":"2360.058532","B3a":"39.4600752","B3aa":"45.88357951","B3b":"37.0013346","B3bb":"43.08331678","B3c":"43.65070081","B3d":"20.36786262","B3e":"19.53090421","B3f":"17.94869692","B3g":"33.22440511","B3h":"89.33524141","B3i":"80.48234215","B3j":"208.4285826","B3k":"27.27246752","B3l":"8.812216647","B3m":"44.13413911","B3n":"451.9033257","B3o":"50.66089054","B3p":"35.87880306","B3q":"44.81507486","B3r":"808.6008412","B3s":"12.79288155","B3t":"38.73316748","B3u":"38.92748646","B3v":"53.42637964","B3w":"267.2914933","B3x":"231.7355919","B3y":"129.704762","B3z":"34.2660302"},{"Metabolite":"D-Glutamine","A1a":"810.4138725","A1b":"598.4858858","A1c":"171.9460783","A1d":"438.4384806","A1e":"146.0362039","A1f":"726.9706987","A2a":"889.9352435","A2b":"79.87703371","A2c":"150.2828952","A2d":"258.410177","A2e":"128.4212793","A2f":"190.4651106","A3a":"399.5879809","A3b":"201.5218916","A3c":"880.9290827","A3d":"834.6007889","A3e":"367.3658621","A3f":"229.7953212","A3g":"182.4550561","A3h":"355.5957563","A3i":"352.5470122","A3j":"131.6280235","A3k":"394.6623605","A3l":"31.74157167","A3m":"205.5006845","A3n":"132.1213997","B1a":"1195.617744","B1b":"1148.036561","B1c":"1043.085736","B1d":"73.20244997","B1e":"222.2272985","B1f":"841.5580531","B2a":"535.4698086","B2b":"494.3910429","B2c":"71.03183531","B2d":"52.24040536","B2e":"42.16922554","B2f":"216.5617335","B3a":"382.3332773","B3aa":"129.2452594","B3b":"327.8934023","B3bb":"246.4853904","B3c":"514.4661656","B3d":"271.0637327","B3e":"286.9898546","B3f":"129.8443448","B3g":"277.8824946","B3h":"810.3725151","B3i":"1156.490605","B3j":"116.8669001","B3k":"283.0033308","B3l":"349.4746905","B3m":"222.2908705","B3n":"279.1342931","B3o":"328.8355428","B3p":"278.5740126","B3q":"79.98403187","B3r":"1037.646934","B3s":"379.3782159","B3t":"268.6567101","B3u":"759.2614946","B3v":"2194.234745","B3w":"1810.218849","B3x":"709.3092263","B3y":"471.1762572","B3z":"85.00081558"},{"Metabolite":"L-Lysine","A1a":"1001.392533","A1b":"454.7487246","A1c":"272.4181404","A1d":"370.4831255","A1e":"163.5842223","A1f":"619.3366628","A2a":"531.9169287","A2b":"130.375111","A2c":"277.3488336","A2d":"286.4734265","A2e":"254.2459118","A2f":"124.8969778","A3a":"290.0335343","A3b":"163.0100757","A3c":"997.7647905","A3d":"1288.562704","A3e":"1013.192944","A3f":"526.979045","A3g":"285.7094476","A3h":"478.3819338","A3i":"304.9000137","A3j":"264.6202419","A3k":"275.0506184","A3l":"29.39665521","A3m":"229.9895191","A3n":"249.1590776","B1a":"662.7243248","B1b":"774.3428064","B1c":"800.1618023","B1d":"127.4379022","B1e":"216.2144519","B1f":"1057.547984","B2a":"358.5790103","B2b":"420.0951619","B2c":"62.40745095","B2d":"30.41750091","B2e":"115.5070241","B2f":"71.35066467","B3a":"187.5940988","B3aa":"272.7274571","B3b":"171.3782302","B3bb":"446.8458569","B3c":"204.556751","B3d":"295.0662805","B3e":"382.1338367","B3f":"142.1379574","B3g":"233.3475035","B3h":"559.3116","B3i":"1431.41365","B3j":"115.2632248","B3k":"405.8520431","B3l":"326.4398754","B3m":"336.4001744","B3n":"458.9094051","B3o":"633.0498425","B3p":"209.6819969","B3q":"72.76937184","B3r":"849.4858628","B3s":"379.0067798","B3t":"334.000297","B3u":"639.012728","B3v":"3365.418612","B3w":"1498.345721","B3x":"1244.058794","B3y":"296.6837628","B3z":"140.7216822"},{"Metabolite":"L-Glutamic acid","A1a":"1443.161159","A1b":"1354.634684","A1c":"76.01885082","A1d":"804.3910449","A1e":"111.2322454","A1f":"1113.624996","A2a":"273.9343645","A2b":"154.875361","A2c":"332.9552181","A2d":"170.2979162","A2e":"92.1075128","A2f":"135.8166048","A3a":"181.1670156","A3b":"158.5244512","A3c":"1476.891424","A3d":"1211.087277","A3e":"618.1482138","A3f":"305.4240585","A3g":"330.5490721","A3h":"624.1962854","A3i":"235.7729608","A3j":"114.6131197","A3k":"212.9409916","A3l":"101.0628028","A3m":"105.9377522","A3n":"57.94313155","B1a":"854.2720115","B1b":"880.1333115","B1c":"858.7306982","B1d":"82.59231631","B1e":"345.7107513","B1f":"1424.177044","B2a":"551.4918938","B2b":"295.510165","B2c":"38.90023687","B2d":"62.15937356","B2e":"75.19268902","B2f":"112.8782153","B3a":"239.9739794","B3aa":"161.79618","B3b":"249.3546431","B3bb":"251.4956292","B3c":"259.1435545","B3d":"242.6304664","B3e":"152.4158016","B3f":"177.7604572","B3g":"214.060589","B3h":"887.3392747","B3i":"1380.000612","B3j":"65.55786378","B3k":"96.66504547","B3l":"212.8723196","B3m":"201.9536373","B3n":"348.9464991","B3o":"418.0113959","B3p":"136.153701","B3q":"70.89749089","B3r":"1227.938527","B3s":"139.0107008","B3t":"166.9128967","B3u":"404.1505713","B3v":"1699.267205","B3w":"1215.515227","B3x":"627.4270055","B3y":"239.9594992","B3z":"164.399922"},{"Metabolite":"Carvone","A1a":"704.5001425","A1b":"1311.394354","A1c":"546.7219232","A1d":"981.8153094","A1e":"664.5289759","A1f":"796.7387215","A2a":"467.9825657","A2b":"609.2607071","A2c":"528.533098","A2d":"582.0007859","A2e":"536.8263111","A2f":"512.924032","A3a":"626.2033007","A3b":"364.2016325","A3c":"715.1938691","A3d":"810.1635689","A3e":"675.4072934","A3f":"653.1654524","A3g":"613.3956546","A3h":"771.8548406","A3i":"394.2894119","A3j":"368.1847988","A3k":"717.0417499","A3l":"405.4983823","A3m":"592.8745176","A3n":"234.8247842","B1a":"496.2283299","B1b":"888.7535185","B1c":"897.1855354","B1d":"777.7745086","B1e":"705.6155766","B1f":"802.9378361","B2a":"1573.632039","B2b":"825.743725","B2c":"571.7955345","B2d":"653.2323751","B2e":"512.1651451","B2f":"726.0594705","B3a":"851.3329735","B3aa":"816.6633384","B3b":"1047.822227","B3bb":"547.2038974","B3c":"939.007578","B3d":"530.2105247","B3e":"375.6140754","B3f":"590.1046681","B3g":"592.1142813","B3h":"1130.36209","B3i":"784.1754633","B3j":"620.5573753","B3k":"643.3259737","B3l":"500.8900066","B3m":"783.9451283","B3n":"585.5278194","B3o":"539.7085031","B3p":"372.7088988","B3q":"611.0708864","B3r":"691.1386921","B3s":"368.4404486","B3t":"515.8507434","B3u":"799.8511919","B3v":"709.0361413","B3w":"784.0766439","B3x":"767.5316158","B3y":"520.9049335","B3z":"744.9097223"},{"Metabolite":"Guanine","A1a":"262.5142682","A1b":"5.552952076","A1c":"0.502974035","A1d":"3.214619117","A1e":"9.862277408","A1f":"4.527990225","A2a":"1.033265051","A2b":"0.398092032","A2c":"24.14030693","A2d":"23.4312115","A2e":"0.389672098","A2f":"1.157878734","A3a":"34.10951668","A3b":"32.08493312","A3c":"16.43270802","A3d":"202.8264434","A3e":"117.3365659","A3f":"36.56830164","A3g":"21.1788889","A3h":"4.293631482","A3i":"0.905054928","A3j":"9.880362847","A3k":"5.659465707","A3l":"7.579093587","A3m":"25.58870685","A3n":"7.270111033","B1a":"98.63261389","B1b":"3.867746554","B1c":"62.62745694","B1d":"0.442928182","B1e":"23.09478864","B1f":"5.648216833","B2a":"1.483900244","B2b":"2.850289926","B2c":"1.888834879","B2d":"3.997378364","B2e":"1.874214623","B2f":"0.503513355","B3a":"11.89442265","B3aa":"0.761368043","B3b":"2.780452115","B3bb":"1.554219497","B3c":"10.66404799","B3d":"56.27062143","B3e":"59.82457234","B3f":"12.32834746","B3g":"46.98380216","B3h":"3.279690192","B3i":"9.254530488","B3j":"3.702100696","B3k":"9.744326034","B3l":"12.19101164","B3m":"6.871069053","B3n":"30.48492732","B3o":"18.84596098","B3p":"104.2437105","B3q":"7.09008481","B3r":"30.22275399","B3s":"20.47268759","B3t":"1.150096512","B3u":"4.892122691","B3v":"298.8828477","B3w":"73.13497353","B3x":"8.144961831","B3y":"9.264876809","B3z":"0.80572698"},{"Metabolite":"Xanthine","A1a":"13.29409177","A1b":"1.189500106","A1c":"0.898954727","A1d":"1.958402758","A1e":"1.057750524","A1f":"2.480820146","A2a":"1.000778555","A2b":"0.372257822","A2c":"0.809767982","A2d":"2.387934198","A2e":"0.30314681","A2f":"0.281625018","A3a":"1.481860285","A3b":"1.473697469","A3c":"4.845965127","A3d":"8.455297561","A3e":"5.510391233","A3f":"4.22747359","A3g":"0.992344344","A3h":"0.471529969","A3i":"0.434339343","A3j":"0.378795453","A3k":"0.811515911","A3l":"1.564581018","A3m":"0.643266088","A3n":"0.260047256","B1a":"11.15206415","B1b":"2.373994956","B1c":"3.790398521","B1d":"0.443187493","B1e":"1.614065485","B1f":"2.586645945","B2a":"1.490745722","B2b":"2232.701889","B2c":"1.252719912","B2d":"0.262249716","B2e":"0.722650219","B2f":"1.567373959","B3a":"863.8619193","B3aa":"0.724247658","B3b":"1168.432651","B3bb":"2.710511291","B3c":"560.326298","B3d":"1766.91543","B3e":"1804.317323","B3f":"1.964720001","B3g":"6.781624977","B3h":"54.71827828","B3i":"11.3657872","B3j":"1.959171541","B3k":"0.455878945","B3l":"6.396105588","B3m":"2.748939178","B3n":"3.793776951","B3o":"5.148643878","B3p":"21.00242739","B3q":"1.442544056","B3r":"6.498125762","B3s":"5.151595807","B3t":"1.919425745","B3u":"1.149822492","B3v":"166.8164703","B3w":"3.957561758","B3x":"2.962285875","B3y":"0.893633028","B3z":"0.632808004"},{"Metabolite":"Arabitol","A1a":"29.60213859","A1b":"28.55628743","A1c":"11.80791122","A1d":"7.507207652","A1e":"6.913214391","A1f":"32.18769167","A2a":"5.810972589","A2b":"3.2849392","A2c":"4.107782682","A2d":"4.901819393","A2e":"3.496004016","A2f":"4.422715235","A3a":"9.200056228","A3b":"10.10477625","A3c":"72.17102816","A3d":"35.02694827","A3e":"49.3195309","A3f":"11.14469751","A3g":"7.897960632","A3h":"11.19379658","A3i":"5.961717845","A3j":"9.425519667","A3k":"8.82368183","A3l":"3.871416988","A3m":"3.635393078","A3n":"2.163465696","B1a":"11.62469138","B1b":"5.978060851","B1c":"13.16472317","B1d":"1.983101545","B1e":"3.90245132","B1f":"7.76575404","B2a":"8.451181036","B2b":"6.997555928","B2c":"4.157884565","B2d":"2.570233212","B2e":"3.175420018","B2f":"5553.147522","B3a":"9.071745223","B3aa":"9.959228058","B3b":"7.643473542","B3bb":"7.226745072","B3c":"7.895791058","B3d":"6.477655794","B3e":"6.301612572","B3f":"3.611542626","B3g":"4.817239758","B3h":"12.34633661","B3i":"22.0123758","B3j":"2.999485353","B3k":"8.892019621","B3l":"2.726435381","B3m":"2.735963567","B3n":"21.34559795","B3o":"4.629858787","B3p":"23.84141664","B3q":"3.355553715","B3r":"30.5884662","B3s":"36.65344674","B3t":"3.849823566","B3u":"11.79042153","B3v":"47.61426682","B3w":"43.4979185","B3x":"76.00653199","B3y":"10.82959006","B3z":"4.31544697"},{"Metabolite":"2-Pentylthiophene","A1a":"1.893651024","A1b":"1.220392642","A1c":"1.677039005","A1d":"2.222031759","A1e":"0.786489336","A1f":"1.718499439","A2a":"0.605273244","A2b":"0.935218522","A2c":"0.57298133","A2d":"1.257071375","A2e":"1381.018748","A2f":"1.169186227","A3a":"1.296604254","A3b":"0.863450818","A3c":"0.989466107","A3d":"2.236237592","A3e":"2.057304378","A3f":"0.716416322","A3g":"0.834099974","A3h":"1.994364934","A3i":"0.564773298","A3j":"0.723257498","A3k":"1.707372725","A3l":"0.535320204","A3m":"0.779086078","A3n":"0.845605494","B1a":"1.775646932","B1b":"2.108207953","B1c":"2.436471574","B1d":"0.870751878","B1e":"1.294209452","B1f":"1.855289328","B2a":"1.450223121","B2b":"1.9772982","B2c":"0.795148151","B2d":"1.15071431","B2e":"1.19461777","B2f":"0.901739587","B3a":"1.117270445","B3aa":"1.173388367","B3b":"1.748218516","B3bb":"0.829766773","B3c":"2.00926947","B3d":"1.570863629","B3e":"1.482371383","B3f":"1.208954253","B3g":"1.214960784","B3h":"2.947559293","B3i":"2.287103461","B3j":"0.832149106","B3k":"0.866578993","B3l":"1.383895744","B3m":"0.691405922","B3n":"114.1947506","B3o":"0.967994887","B3p":"1.241579973","B3q":"0.819704261","B3r":"1.680176136","B3s":"1.030372614","B3t":"1.207441787","B3u":"1.198462124","B3v":"0.735732374","B3w":"0.907097469","B3x":"1.78497218","B3y":"0.709218773","B3z":"0.668843891"},{"Metabolite":"L-Histidine","A1a":"276.6614225","A1b":"92.50967056","A1c":"80.00484484","A1d":"316.4192259","A1e":"99.96820122","A1f":"390.688495","A2a":"137.2085383","A2b":"48.99152664","A2c":"68.58366332","A2d":"78.08696376","A2e":"218.9603842","A2f":"39.87506892","A3a":"171.8566721","A3b":"88.54931255","A3c":"494.8179316","A3d":"234.2293126","A3e":"289.6127725","A3f":"138.7948596","A3g":"76.47010963","A3h":"297.9820322","A3i":"76.18312654","A3j":"66.39582343","A3k":"125.1831929","A3l":"38.55355735","A3m":"121.1764017","A3n":"166.6823895","B1a":"422.0255542","B1b":"641.883816","B1c":"515.7881006","B1d":"43.1445771","B1e":"155.6977777","B1f":"905.8752338","B2a":"222.2895994","B2b":"175.8745213","B2c":"16.15833521","B2d":"15.63868346","B2e":"15.9803565","B2f":"33.64622906","B3a":"94.95637172","B3aa":"111.8170046","B3b":"95.83425817","B3bb":"176.8698677","B3c":"102.6430352","B3d":"86.8647021","B3e":"97.5110903","B3f":"56.98583408","B3g":"109.1160414","B3h":"409.7290419","B3i":"727.047992","B3j":"47.19259679","B3k":"35.07840306","B3l":"124.296201","B3m":"132.2164058","B3n":"215.8056173","B3o":"162.1471063","B3p":"65.06788178","B3q":"48.59391281","B3r":"581.557833","B3s":"82.05204939","B3t":"173.4155253","B3u":"693.7849615","B3v":"555.7137753","B3w":"1312.953839","B3x":"831.3755581","B3y":"169.4778259","B3z":"83.82693989"},{"Metabolite":"3-Dehydrocarnitine","A1a":"40.78183933","A1b":"50.85524738","A1c":"31.1186617","A1d":"54.30444948","A1e":"31.43866453","A1f":"40.79141658","A2a":"24.87688583","A2b":"34.28607194","A2c":"35.2457529","A2d":"32.6819119","A2e":"23.78408726","A2f":"28.00554318","A3a":"28.21828317","A3b":"30.32165409","A3c":"45.37853556","A3d":"44.52293548","A3e":"38.69464086","A3f":"32.35738663","A3g":"34.74857413","A3h":"47.49733379","A3i":"24.62429387","A3j":"25.03626681","A3k":"40.08918404","A3l":"34.18628294","A3m":"25.35516939","A3n":"28.07163992","B1a":"41.19271124","B1b":"50.61386487","B1c":"44.235792","B1d":"31.11806061","B1e":"30.10314865","B1f":"45.4506382","B2a":"54.78163293","B2b":"36.93035832","B2c":"28.89030898","B2d":"29.78740621","B2e":"31.35221121","B2f":"29.55912014","B3a":"62.05803889","B3aa":"33.39637671","B3b":"56.22351671","B3bb":"37.75511947","B3c":"44.39443786","B3d":"40.3021005","B3e":"28.60000343","B3f":"29.35467075","B3g":"31.25131666","B3h":"54.83532391","B3i":"52.60243267","B3j":"30.41722373","B3k":"27.9198043","B3l":"32.62033807","B3m":"30.27726071","B3n":"46.39383557","B3o":"36.94006283","B3p":"27.24627279","B3q":"31.63439643","B3r":"50.88535898","B3s":"27.70677208","B3t":"30.27061497","B3u":"51.81941534","B3v":"39.23566751","B3w":"43.8146974","B3x":"47.49522276","B3y":"30.59558339","B3z":"27.61380065"},{"Metabolite":"Aminoadipic acid","A1a":"435.8660673","A1b":"500.7223352","A1c":"77.73107454","A1d":"214.8282224","A1e":"106.3355325","A1f":"190.7748068","A2a":"115.1013744","A2b":"9.630240836","A2c":"49.2063949","A2d":"50.4835585","A2e":"77.49914731","A2f":"243.8830034","A3a":"204.4189872","A3b":"143.4412262","A3c":"340.039671","A3d":"495.4639601","A3e":"206.6715694","A3f":"85.04373804","A3g":"51.92165703","A3h":"189.6522279","A3i":"63.21956423","A3j":"71.73633051","A3k":"40.62459389","A3l":"19.11899302","A3m":"149.4464075","A3n":"66.49694865","B1a":"158.7809112","B1b":"110.6573459","B1c":"91.02826634","B1d":"21.67194721","B1e":"112.9611597","B1f":"122.8551092","B2a":"92.2770641","B2b":"32.23432942","B2c":"16.44555138","B2d":"23.31853902","B2e":"16.50573863","B2f":"24.86470782","B3a":"17.29645458","B3aa":"69.09537744","B3b":"19.62376237","B3bb":"57.29251679","B3c":"20.33138051","B3d":"54.20944171","B3e":"113.6865092","B3f":"56.57961537","B3g":"152.2250795","B3h":"121.6799483","B3i":"225.2306861","B3j":"19.98736513","B3k":"365.6567054","B3l":"41.24752148","B3m":"62.61007259","B3n":"242.4770786","B3o":"81.1882794","B3p":"106.7216225","B3q":"51.4160296","B3r":"238.7069889","B3s":"78.19979937","B3t":"34.11980958","B3u":"383.9536585","B3v":"302.8768132","B3w":"418.9453243","B3x":"257.8675755","B3y":"77.24528145","B3z":"55.19760617"},{"Metabolite":"Nicotine","A1a":"97.19641191","A1b":"145.8306553","A1c":"137.0450699","A1d":"120.5634706","A1e":"175.1048221","A1f":"224.5287903","A2a":"52.92266305","A2b":"92.93287782","A2c":"96.00424566","A2d":"58.87123685","A2e":"90.27930653","A2f":"77.95613316","A3a":"122.2680168","A3b":"65.44714258","A3c":"131.6744673","A3d":"101.3980243","A3e":"116.2724742","A3f":"96.78093732","A3g":"169.7339035","A3h":"110.4437933","A3i":"49.68260443","A3j":"62.51044763","A3k":"150.952834","A3l":"57.20073862","A3m":"103.1316782","A3n":"51.26854557","B1a":"141.7770875","B1b":"95.63136989","B1c":"140.2297172","B1d":"91.23174926","B1e":"70.5195324","B1f":"168.5795105","B2a":"172.313414","B2b":"85.68896618","B2c":"94.21220999","B2d":"54.65372305","B2e":"134.9371629","B2f":"77.14753536","B3a":"234.1043638","B3aa":"224.059802","B3b":"178.7225203","B3bb":"186.1712297","B3c":"164.8918717","B3d":"65.07327171","B3e":"81.63629216","B3f":"74.90200933","B3g":"87.10945608","B3h":"53.33382287","B3i":"143.2573364","B3j":"76.11044004","B3k":"67.45362277","B3l":"78.71583161","B3m":"248.6766152","B3n":"158.4193074","B3o":"206.2368755","B3p":"147.3030584","B3q":"88.76733083","B3r":"186.8842452","B3s":"108.0816617","B3t":"82.12781895","B3u":"137.1379962","B3v":"197.8495493","B3w":"221.4663644","B3x":"183.4981093","B3y":"106.087084","B3z":"143.109485"},{"Metabolite":"Hexylbenzene","A1a":"10.50258138","A1b":"3.774205541","A1c":"12.11657347","A1d":"11.22033749","A1e":"4.232824877","A1f":"2.050301962","A2a":"26.03434161","A2b":"35.5190827","A2c":"54.28136665","A2d":"16.95144379","A2e":"39.18183994","A2f":"48.21622098","A3a":"40.18618223","A3b":"5.618583905","A3c":"2.984204454","A3d":"6.421805438","A3e":"2.724013072","A3f":"3.108110293","A3g":"3.151152924","A3h":"7.854194539","A3i":"14.59325928","A3j":"13.09354816","A3k":"5.940410218","A3l":"28.69883255","A3m":"7.330743455","A3n":"1.449884947","B1a":"18.73664155","B1b":"25.66213372","B1c":"11.18117926","B1d":"5.608259131","B1e":"27.3841648","B1f":"14.67013458","B2a":"10.7603708","B2b":"37.36850787","B2c":"12.52020298","B2d":"5.57917647","B2e":"8.818455299","B2f":"24.66889242","B3a":"6.373592559","B3aa":"4.581399642","B3b":"3.570100022","B3bb":"2.288411274","B3c":"5.440885952","B3d":"5.986485857","B3e":"9.881218466","B3f":"8.679605436","B3g":"4.122829608","B3h":"1.675583104","B3i":"2.888385177","B3j":"5.411158573","B3k":"30.62264968","B3l":"5.747505907","B3m":"17.09908715","B3n":"11.97428384","B3o":"1.344545264","B3p":"3.187382111","B3q":"17.46516098","B3r":"6.674497688","B3s":"14.70583933","B3t":"6.505234947","B3u":"2.729856091","B3v":"1.424631033","B3w":"7.127226037","B3x":"12.1509373","B3y":"6.115092812","B3z":"17.9636359"},{"Metabolite":"Fucose","A1a":"46.08159495","A1b":"17.15578329","A1c":"1599.228251","A1d":"155.4058604","A1e":"18.33155747","A1f":"11.14491811","A2a":"2.71905441","A2b":"13.01497635","A2c":"23.11409305","A2d":"17.7416152","A2e":"15.6668053","A2f":"33.90507631","A3a":"39.52356007","A3b":"23.44547738","A3c":"10.61390726","A3d":"45.84533265","A3e":"34.6750723","A3f":"60.65610617","A3g":"20.29940385","A3h":"113.1567905","A3i":"6.411086099","A3j":"48.27724921","A3k":"44.26708069","A3l":"11.18987014","A3m":"108.6733466","A3n":"10.58781866","B1a":"19.83716552","B1b":"15.6419453","B1c":"31.55154524","B1d":"43.81703003","B1e":"34.9415643","B1f":"35.88462474","B2a":"57.81179255","B2b":"50.19961778","B2c":"208.8934022","B2d":"52.20400053","B2e":"17.67111404","B2f":"1254.91969","B3a":"36.90157026","B3aa":"5.597902006","B3b":"40.33010392","B3bb":"5.500849739","B3c":"32.78748073","B3d":"27.4822972","B3e":"18.97224948","B3f":"30.78796412","B3g":"8.340714921","B3h":"16.57518317","B3i":"8.138562897","B3j":"109.236025","B3k":"10.96085781","B3l":"6.360408067","B3m":"12.22503065","B3n":"266.2792775","B3o":"20.06263717","B3p":"8.716963335","B3q":"16.81253512","B3r":"540.9788928","B3s":"17.72651319","B3t":"10.78779747","B3u":"27.46422121","B3v":"5.783159833","B3w":"188.5001477","B3x":"116.3879953","B3y":"77.35815465","B3z":"16.8510799"},{"Metabolite":"Jasmone","A1a":"62.47663327","A1b":"67.99530323","A1c":"44.92240002","A1d":"71.94883646","A1e":"46.26339825","A1f":"62.37330361","A2a":"28.5509461","A2b":"33.13579543","A2c":"40.85297254","A2d":"37.28928532","A2e":"31.8681654","A2f":"30.28382377","A3a":"32.93671654","A3b":"41.73071686","A3c":"62.49708709","A3d":"49.60550373","A3e":"59.43522434","A3f":"42.76695715","A3g":"55.08279037","A3h":"70.59815592","A3i":"32.58139826","A3j":"31.61475848","A3k":"67.00849609","A3l":"30.99442391","A3m":"33.12741068","A3n":"33.16913897","B1a":"52.55636446","B1b":"74.83602079","B1c":"76.72285669","B1d":"50.63377655","B1e":"35.0440989","B1f":"67.77783654","B2a":"82.45728367","B2b":"48.77321459","B2c":"36.89426574","B2d":"32.28994153","B2e":"39.45251888","B2f":"39.46886269","B3a":"77.56094321","B3aa":"38.6444699","B3b":"75.25458432","B3bb":"47.36294341","B3c":"81.34546332","B3d":"44.86299495","B3e":"38.16365257","B3f":"32.06361503","B3g":"39.5333431","B3h":"81.60864276","B3i":"59.14093014","B3j":"40.30547904","B3k":"38.20861605","B3l":"48.60034004","B3m":"36.15364893","B3n":"50.60198794","B3o":"39.42096582","B3p":"28.25336014","B3q":"34.0949464","B3r":"74.9253196","B3s":"27.61826725","B3t":"33.08641866","B3u":"61.16510056","B3v":"57.70868449","B3w":"57.83169548","B3x":"64.13939768","B3y":"42.8809993","B3z":"32.43665518"},{"Metabolite":"Methionine sulfoxide","A1a":"122.1917691","A1b":"25.41081368","A1c":"13.59749951","A1d":"24.95884563","A1e":"11.1985985","A1f":"69.50992664","A2a":"12.24213315","A2b":"13.96953297","A2c":"15.99666285","A2d":"17.61883355","A2e":"3.832217385","A2f":"19.38404885","A3a":"55.80912773","A3b":"20.89542288","A3c":"169.2536379","A3d":"232.6569014","A3e":"98.04349545","A3f":"49.37853111","A3g":"11.2958919","A3h":"48.82320436","A3i":"108.1714076","A3j":"68.18712305","A3k":"19.97653047","A3l":"4.482753516","A3m":"65.87356019","A3n":"17.06481249","B1a":"102.8801331","B1b":"57.6535142","B1c":"143.89531","B1d":"5.711396786","B1e":"27.90643883","B1f":"4.325481878","B2a":"27.49309655","B2b":"25.49100646","B2c":"1.637380211","B2d":"1.906111341","B2e":"4.2004838","B2f":"1.858393542","B3a":"5.786699863","B3aa":"8.195694875","B3b":"6.514276446","B3bb":"20.65268722","B3c":"6.976557278","B3d":"22.17300272","B3e":"9.297724658","B3f":"17.81710565","B3g":"109.4341448","B3h":"46.14744922","B3i":"121.1752729","B3j":"15.1141604","B3k":"83.23380184","B3l":"58.41950371","B3m":"41.59027784","B3n":"25.8220623","B3o":"44.00955613","B3p":"15.78482229","B3q":"18.02118796","B3r":"84.94706852","B3s":"7.153649771","B3t":"56.17139933","B3u":"46.55800815","B3v":"322.7414272","B3w":"84.73093004","B3x":"43.14631103","B3y":"60.54781774","B3z":"5.082061565"},{"Metabolite":"L-Phenylalanine","A1a":"8.155881138","A1b":"8.682026753","A1c":"1.995224744","A1d":"2.994278894","A1e":"2.113459399","A1f":"8.114664553","A2a":"3.091038866","A2b":"6.946928843","A2c":"14.9701927","A2d":"21.68134691","A2e":"5.199793567","A2f":"2.283429695","A3a":"11.19761065","A3b":"8.471279569","A3c":"19.32841279","A3d":"10.03545106","A3e":"17.66693936","A3f":"3263.417707","A3g":"23.35370146","A3h":"10.24824982","A3i":"8.512625655","A3j":"8.161915947","A3k":"5.970592431","A3l":"9.671634226","A3m":"18.59527335","A3n":"60462.54792","B1a":"7.494312761","B1b":"6.830193913","B1c":"29.15900564","B1d":"8.46431755","B1e":"3.46579478","B1f":"2.656860562","B2a":"8.342247409","B2b":"21.41495927","B2c":"8.422166265","B2d":"17.0332431","B2e":"4.616288627","B2f":"0.867708347","B3a":"142.7920966","B3aa":"150.2985257","B3b":"102.4800784","B3bb":"121.9578888","B3c":"42.68828543","B3d":"46.92024301","B3e":"38.8851524","B3f":"28.90051335","B3g":"41.71815624","B3h":"33.62044924","B3i":"48.62470889","B3j":"24.68944163","B3k":"35.6909838","B3l":"40.91567961","B3m":"32.05798647","B3n":"28.50086333","B3o":"29.41522097","B3p":"19.3051843","B3q":"22.91344706","B3r":"12.035617","B3s":"29.12825794","B3t":"12.25586179","B3u":"19.43463431","B3v":"8.863747485","B3w":"11.82425141","B3x":"15.09006754","B3y":"28.82148267","B3z":"149.2476459"},{"Metabolite":"Arabinonic acid ","A1a":"0.63826791","A1b":"4.325275191","A1c":"11.34515255","A1d":"13.77090051","A1e":"53.61022831","A1f":"4.170020817","A2a":"17.59644036","A2b":"5.849454007","A2c":"9.48081029","A2d":"12.00364419","A2e":"46.49534486","A2f":"38.95911438","A3a":"31.42506327","A3b":"27.77409645","A3c":"12.32653032","A3d":"12.29631646","A3e":"4.966139179","A3f":"1.686310629","A3g":"4.731984328","A3h":"4.306538498","A3i":"8.141796183","A3j":"11.95452045","A3k":"2.703416356","A3l":"4.904860989","A3m":"14.29179595","A3n":"3.835781876","B1a":"4.058785334","B1b":"3.689974009","B1c":"7.084731452","B1d":"15.6186414","B1e":"3.148145085","B1f":"5.62916903","B2a":"6.178086315","B2b":"15.48385811","B2c":"13.65383517","B2d":"4.620072222","B2e":"2.946334197","B2f":"4.433581052","B3a":"10.11834426","B3aa":"1.594636261","B3b":"5.700923729","B3bb":"2.980739005","B3c":"9.982922689","B3d":"24.02194709","B3e":"16.90007139","B3f":"3.157198606","B3g":"4.642499087","B3h":"10.43882842","B3i":"11.60303071","B3j":"13.5177417","B3k":"23.53651457","B3l":"0.871944548","B3m":"12.11420872","B3n":"7.671567757","B3o":"5.456827179","B3p":"83.97982277","B3q":"9.974007858","B3r":"18.05630425","B3s":"113.5477431","B3t":"3.452208527","B3u":"2.115726272","B3v":"1.388426459","B3w":"10.86020332","B3x":"21.65324156","B3y":"6.337689471","B3z":"2.045919008"},{"Metabolite":"3-Phenyllactic acid","A1a":"33.49520493","A1b":"27.16511002","A1c":"10.9883446","A1d":"25.13695933","A1e":"9.791508691","A1f":"13.61839095","A2a":"1.633739952","A2b":"15.76068596","A2c":"8.120434468","A2d":"22.10188316","A2e":"15.78027964","A2f":"34.97006904","A3a":"3.958388689","A3b":"5.723545316","A3c":"12.0966206","A3d":"29.87190449","A3e":"4.449572642","A3f":"4.688419037","A3g":"2.576297277","A3h":"12.63186266","A3i":"5.005993994","A3j":"4.65088845","A3k":"13.21905853","A3l":"3.468871421","A3m":"5.133820751","A3n":"2.89993893","B1a":"25.9007671","B1b":"17.98481858","B1c":"34.54680358","B1d":"34.28149167","B1e":"19.28284886","B1f":"39.41809066","B2a":"48.51938801","B2b":"49.1056038","B2c":"24.48085259","B2d":"17.47989689","B2e":"8.341562109","B2f":"4.497019323","B3a":"16.21998621","B3aa":"8.543544817","B3b":"11.95464829","B3bb":"6.487254683","B3c":"5.123772335","B3d":"2.989842577","B3e":"3.54510074","B3f":"8.59713111","B3g":"5.546184512","B3h":"16.03676813","B3i":"6.623088897","B3j":"7.017933714","B3k":"13.83952196","B3l":"5.145080933","B3m":"4.274080056","B3n":"7.976866648","B3o":"5.487283881","B3p":"1.476184591","B3q":"5.78979068","B3r":"2.054042838","B3s":"9.338546476","B3t":"12.65754743","B3u":"5.863881085","B3v":"5.240620637","B3w":"8.834101064","B3x":"7.653610837","B3y":"9.286754294","B3z":"16.06332437"},{"Metabolite":"Phosphoenolpyruvic acid","A1a":"0.316286582","A1b":"0.392447052","A1c":"0.232697004","A1d":"0.390526275","A1e":"0.247976365","A1f":"0.480038899","A2a":"0.17147838","A2b":"0.201509277","A2c":"0.228058469","A2d":"0.222380678","A2e":"0.191201539","A2f":"0.662082345","A3a":"0.199310848","A3b":"0.216132815","A3c":"0.556625127","A3d":"0.302651465","A3e":"0.396470582","A3f":"0.288347279","A3g":"0.255784875","A3h":"0.375900787","A3i":"1.215031927","A3j":"1.117619811","A3k":"0.30867745","A3l":"0.19906602","A3m":"0.185299434","A3n":"0.17080241","B1a":"0.339306742","B1b":"0.326056834","B1c":"0.340992727","B1d":"0.252882013","B1e":"0.20477789","B1f":"0.369132478","B2a":"0.379440052","B2b":"0.30091337","B2c":"0.213239459","B2d":"0.198641929","B2e":"0.211770039","B2f":"0.439650705","B3a":"0.414475366","B3aa":"0.241950488","B3b":"0.401872821","B3bb":"0.324334535","B3c":"0.362482187","B3d":"50.30823413","B3e":"83.78454045","B3f":"0.802613167","B3g":"1.416886436","B3h":"0.401620774","B3i":"0.364223605","B3j":"0.209803163","B3k":"2.223455415","B3l":"0.227538602","B3m":"0.234092956","B3n":"84.78558109","B3o":"0.240192488","B3p":"0.173885285","B3q":"1.732190405","B3r":"0.371761649","B3s":"0.176415559","B3t":"0.303001462","B3u":"0.379360776","B3v":"0.277168218","B3w":"0.340438316","B3x":"1.532114394","B3y":"0.273119239","B3z":"0.20091103"},{"Metabolite":"Uric acid","A1a":"448.3957522","A1b":"1268.225788","A1c":"487.854959","A1d":"1053.880071","A1e":"548.7747459","A1f":"717.5792612","A2a":"86.11260397","A2b":"608.2637564","A2c":"488.9050773","A2d":"454.1391588","A2e":"382.9611782","A2f":"346.4848435","A3a":"594.8090455","A3b":"388.0270907","A3c":"940.2681434","A3d":"556.4654487","A3e":"1127.063411","A3f":"452.2946285","A3g":"549.5458342","A3h":"1273.401702","A3i":"323.273066","A3j":"565.964606","A3k":"158.0529387","A3l":"115.8844559","A3m":"365.9828951","A3n":"182.9918153","B1a":"750.3577167","B1b":"1428.610636","B1c":"969.3631503","B1d":"428.0367249","B1e":"349.9485323","B1f":"799.0095402","B2a":"404.9789008","B2b":"1016.913362","B2c":"386.2889601","B2d":"340.9786694","B2e":"353.6548292","B2f":"107.9096905","B3a":"1399.358946","B3aa":"355.8143156","B3b":"986.3193884","B3bb":"620.876073","B3c":"409.2783785","B3d":"613.2414379","B3e":"478.5152205","B3f":"354.0135077","B3g":"395.9931513","B3h":"1515.735794","B3i":"2012.26647","B3j":"493.5087479","B3k":"194.4756714","B3l":"632.8598646","B3m":"387.8702699","B3n":"409.2441069","B3o":"786.9958046","B3p":"522.6718877","B3q":"410.3577699","B3r":"441.7661904","B3s":"466.5362743","B3t":"325.1669237","B3u":"1495.875091","B3v":"513.3907887","B3w":"548.2111106","B3x":"1100.682284","B3y":"535.5303334","B3z":"263.5991697"},{"Metabolite":"Diphenylamine","A1a":"160.4170801","A1b":"204.0626064","A1c":"113.4411286","A1d":"203.7950985","A1e":"118.1108785","A1f":"165.0690426","A2a":"76.00685687","A2b":"95.37232449","A2c":"103.0520325","A2d":"114.0989464","A2e":"83.21159473","A2f":"77.3182371","A3a":"76.27205608","A3b":"91.12384359","A3c":"133.7237938","A3d":"125.5630283","A3e":"125.7011197","A3f":"102.2610933","A3g":"91.41104305","A3h":"146.3601919","A3i":"62.16143236","A3j":"68.96942895","A3k":"113.2384677","A3l":"70.11214876","A3m":"70.19965272","A3n":"63.45977051","B1a":"132.4694076","B1b":"153.1222783","B1c":"185.2176327","B1d":"109.0598829","B1e":"91.15487012","B1f":"148.2821156","B2a":"177.7299483","B2b":"141.1063339","B2c":"91.71286044","B2d":"81.49622528","B2e":"90.23039532","B2f":"78.96963138","B3a":"152.6184213","B3aa":"69.27892807","B3b":"158.7369119","B3bb":"93.33316802","B3c":"123.3814549","B3d":"101.9883472","B3e":"78.76245321","B3f":"75.09332097","B3g":"71.98171466","B3h":"140.8254485","B3i":"135.4540583","B3j":"80.15659611","B3k":"66.09373523","B3l":"78.98403357","B3m":"74.58750873","B3n":"121.0656449","B3o":"74.53025274","B3p":"54.74794866","B3q":"65.14130483","B3r":"118.9262426","B3s":"56.02682741","B3t":"57.38134475","B3u":"117.9781704","B3v":"74.75338741","B3w":"104.8154473","B3x":"113.99862","B3y":"63.19301693","B3z":"60.75976291"},{"Metabolite":"Dihydroxyacetone phosphate","A1a":"17.03181764","A1b":"23.66457637","A1c":"242.0814179","A1d":"11.5363348","A1e":"295.1042968","A1f":"6.112470717","A2a":"266.0819685","A2b":"284.8329158","A2c":"254.8270573","A2d":"278.8795425","A2e":"250.5791434","A2f":"335.5816577","A3a":"223.1995166","A3b":"284.6552491","A3c":"10.84299493","A3d":"10.04129004","A3e":"9.244091096","A3f":"263.8818214","A3g":"264.1692117","A3h":"59.88239433","A3i":"275.4870283","A3j":"312.7580006","A3k":"182.5542861","A3l":"404.28443","A3m":"321.945042","A3n":"263.3851927","B1a":"38.95376549","B1b":"22.15381604","B1c":"14.63883195","B1d":"313.0101438","B1e":"305.0959453","B1f":"30.05517157","B2a":"18.02267391","B2b":"162.0089939","B2c":"312.9344831","B2d":"336.825706","B2e":"327.1242145","B2f":"311.8825331","B3a":"109.7354611","B3aa":"274.7063744","B3b":"128.7362847","B3bb":"258.3551035","B3c":"98.09861231","B3d":"237.9729589","B3e":"181.3197093","B3f":"335.1291713","B3g":"309.9674141","B3h":"25.87218279","B3i":"11.63389886","B3j":"357.617948","B3k":"255.2414949","B3l":"286.9467292","B3m":"280.9165005","B3n":"35.2529095","B3o":"270.6293855","B3p":"233.0629785","B3q":"283.5546529","B3r":"34.87005528","B3s":"251.7843523","B3t":"279.6844451","B3u":"30.09207014","B3v":"14.85020667","B3w":"26.55543438","B3x":"18.36355055","B3y":"260.777847","B3z":"275.2665271"},{"Metabolite":"Glycylproline","A1a":"560.4159989","A1b":"30.82835796","A1c":"104.3002256","A1d":"16.30027566","A1e":"76.58603762","A1f":"609.1355088","A2a":"558.0331751","A2b":"37.21646972","A2c":"76.80891608","A2d":"96.3201231","A2e":"168.9175834","A2f":"290.1009004","A3a":"562.3618872","A3b":"73.32166258","A3c":"1479.005498","A3d":"603.7243552","A3e":"199.9765328","A3f":"79.05067681","A3g":"56.2858155","A3h":"29.59184154","A3i":"339.2064053","A3j":"142.8051887","A3k":"88.96868222","A3l":"60.76893093","A3m":"192.1993289","A3n":"243.4991782","B1a":"1144.677908","B1b":"326.8855184","B1c":"306.5189286","B1d":"19.54454768","B1e":"126.6350026","B1f":"179.6730184","B2a":"18.37289901","B2b":"180.3372732","B2c":"4.643937752","B2d":"5.938672336","B2e":"7.315131922","B2f":"12.05248583","B3a":"77.37346276","B3aa":"565.7778261","B3b":"97.71951616","B3bb":"298.4941892","B3c":"91.96675097","B3d":"139.2255095","B3e":"143.9248069","B3f":"202.5064405","B3g":"414.7853017","B3h":"169.3256702","B3i":"395.9477461","B3j":"85.99314961","B3k":"372.4528507","B3l":"427.9046687","B3m":"245.7974577","B3n":"211.1485734","B3o":"151.6545445","B3p":"181.4641951","B3q":"66.38551462","B3r":"885.3334369","B3s":"241.714878","B3t":"336.1025355","B3u":"241.1148525","B3v":"2233.915945","B3w":"902.5846088","B3x":"211.9122595","B3y":"309.5707246","B3z":"447.6926943"},{"Metabolite":"N-Acetylleucine","A1a":"2.298477803","A1b":"3.714882568","A1c":"1.225688232","A1d":"1.966755729","A1e":"2.504595308","A1f":"1.871674133","A2a":"8.206624329","A2b":"2.565468375","A2c":"0.636112033","A2d":"1.609623705","A2e":"5.989238647","A2f":"4.376718595","A3a":"8.932403248","A3b":"4.735352484","A3c":"6.217856595","A3d":"3.397206691","A3e":"5.609653654","A3f":"2.714853664","A3g":"0.68392869","A3h":"1.829728745","A3i":"10.36151128","A3j":"5.503387033","A3k":"1.243209645","A3l":"2.230676863","A3m":"1.735484617","A3n":"5.37309842","B1a":"4.089054097","B1b":"1.128649827","B1c":"2.584409977","B1d":"1.212412313","B1e":"14.89909891","B1f":"10.25274233","B2a":"1.235401086","B2b":"1.734302439","B2c":"1.726459192","B2d":"0.864196481","B2e":"0.838201075","B2f":"0.764432855","B3a":"1.590717452","B3aa":"2.871570435","B3b":"1.591207002","B3bb":"1.922800695","B3c":"1.359445675","B3d":"1.281787044","B3e":"1.182732293","B3f":"1.956001262","B3g":"1.409166576","B3h":"0.879115549","B3i":"2.455768868","B3j":"2.781130024","B3k":"5.013953826","B3l":"1.236859309","B3m":"1.79963137","B3n":"3.064804978","B3o":"9.264666757","B3p":"15.03170397","B3q":"2.092391082","B3r":"8.102891136","B3s":"18.27005121","B3t":"2.975965331","B3u":"5.349140564","B3v":"11.14625879","B3w":"23.03931373","B3x":"27.43938728","B3y":"3.283251532","B3z":"3.243653807"},{"Metabolite":"cis-Aconitic acid","A1a":"1.81814879","A1b":"0.564358926","A1c":"1.707255024","A1d":"1.007819897","A1e":"29.98675988","A1f":"2.22898611","A2a":"0.879237552","A2b":"0.287033869","A2c":"0.679977374","A2d":"0.409147327","A2e":"1.48297138","A2f":"0.652483443","A3a":"0.591351113","A3b":"0.377935914","A3c":"3.334075061","A3d":"1.577393535","A3e":"1.490268585","A3f":"0.758115232","A3g":"0.662649564","A3h":"1.057679988","A3i":"1.458984478","A3j":"0.508923202","A3k":"0.385997398","A3l":"1.186406757","A3m":"0.37963465","A3n":"1.670436187","B1a":"0.779693923","B1b":"0.72239304","B1c":"0.967959786","B1d":"0.295661022","B1e":"0.623723553","B1f":"0.702115037","B2a":"0.525304039","B2b":"0.444120209","B2c":"0.314376065","B2d":"0.252174306","B2e":"0.258601445","B2f":"0.608076572","B3a":"0.477987877","B3aa":"0.435273164","B3b":"0.453016096","B3bb":"0.480481477","B3c":"0.420879636","B3d":"0.470423382","B3e":"0.516865363","B3f":"0.846235488","B3g":"0.418281538","B3h":"0.647287654","B3i":"1.232284014","B3j":"0.379464261","B3k":"1.158465263","B3l":"0.417153787","B3m":"8.220596089","B3n":"0.73353934","B3o":"12.48442191","B3p":"7.328000533","B3q":"0.348145644","B3r":"1.033664796","B3s":"12.93071957","B3t":"1.481599629","B3u":"0.760014959","B3v":"2.824603719","B3w":"1.066934825","B3x":"1.224142952","B3y":"0.766538352","B3z":"0.400872019"},{"Metabolite":"L-Theanine","A1a":"38.77929894","A1b":"10.87777731","A1c":"10.03566537","A1d":"108.4815214","A1e":"18.75971263","A1f":"40.66333981","A2a":"10.78947965","A2b":"2.804285623","A2c":"84.53381538","A2d":"8.087155735","A2e":"16.64315824","A2f":"2.900059055","A3a":"7.939596182","A3b":"3.358151315","A3c":"74.68430153","A3d":"36.21433936","A3e":"36.41247435","A3f":"19.33901553","A3g":"81.52890265","A3h":"159.1152703","A3i":"21.83706501","A3j":"12.87866277","A3k":"4.095939727","A3l":"4.793583578","A3m":"6.288573849","A3n":"5.159859638","B1a":"22.34746365","B1b":"14.55480511","B1c":"33.83008991","B1d":"4.446742943","B1e":"13.02932615","B1f":"66.3008522","B2a":"6.680343102","B2b":"6.95430847","B2c":"0.968774255","B2d":"1.452727317","B2e":"4.864883601","B2f":"7.36418081","B3a":"5.116444121","B3aa":"6.96933891","B3b":"5.199480924","B3bb":"6.718259627","B3c":"5.085950824","B3d":"6.510791524","B3e":"5.071395688","B3f":"6.393521692","B3g":"11.89718071","B3h":"12.96219633","B3i":"21.71923557","B3j":"1.851924591","B3k":"8.512203258","B3l":"4.167089336","B3m":"15.85405188","B3n":"6.063746624","B3o":"19.89382061","B3p":"20.07803976","B3q":"6.083883045","B3r":"13.99394458","B3s":"26.93587336","B3t":"5.584171102","B3u":"21.5785892","B3v":"104.6334758","B3w":"30.87625744","B3x":"17.55664697","B3y":"9.138215407","B3z":"5.448361805"},{"Metabolite":"L-Arginine","A1a":"575.8237956","A1b":"508.9876378","A1c":"410.8439753","A1d":"643.9014641","A1e":"474.8627058","A1f":"583.2140623","A2a":"42.17116815","A2b":"33.14331534","A2c":"426.0400982","A2d":"497.2532072","A2e":"33.80749929","A2f":"228.2714077","A3a":"835.0299651","A3b":"625.38225","A3c":"928.9261617","A3d":"726.5240735","A3e":"1188.462687","A3f":"628.586706","A3g":"332.6848119","A3h":"838.1481738","A3i":"123.360906","A3j":"135.4380288","A3k":"517.8878759","A3l":"21.81402606","A3m":"581.52119","A3n":"204.6413493","B1a":"1010.859273","B1b":"926.0508694","B1c":"1037.29287","B1d":"108.5090826","B1e":"355.2312676","B1f":"774.7349277","B2a":"413.4197565","B2b":"948.079318","B2c":"27.52818816","B2d":"49.38847894","B2e":"28.89786359","B2f":"58.17971807","B3a":"465.4222342","B3aa":"239.2507261","B3b":"541.5138668","B3bb":"423.5051652","B3c":"631.2443571","B3d":"561.9504746","B3e":"874.5591653","B3f":"473.8134663","B3g":"753.1410543","B3h":"711.2990403","B3i":"1591.467906","B3j":"126.9445828","B3k":"573.5289483","B3l":"286.3508291","B3m":"265.1905889","B3n":"351.5768791","B3o":"201.6408826","B3p":"171.4033256","B3q":"132.7650448","B3r":"589.1628232","B3s":"170.4151072","B3t":"136.6110505","B3u":"1124.786415","B3v":"992.4378791","B3w":"2281.308056","B3x":"723.6409876","B3y":"330.4635502","B3z":"162.8762285"},{"Metabolite":"1-Methyl-4-(1-methyl-2-propenyl)-benzene","A1a":"4.12932877","A1b":"0.937847699","A1c":"4.294825283","A1d":"7.358264102","A1e":"5.592325293","A1f":"0.912512917","A2a":"9.116150453","A2b":"15.28862658","A2c":"8.746818868","A2d":"0.799652337","A2e":"21.86108575","A2f":"16.52099787","A3a":"1.870052142","A3b":"0.516835312","A3c":"0.928142091","A3d":"0.646266976","A3e":"0.657553828","A3f":"0.397263109","A3g":"0.40605851","A3h":"1.396252547","A3i":"0.525646043","A3j":"0.202651967","A3k":"0.926055376","A3l":"0.763629163","A3m":"0.577788435","A3n":"0.364074776","B1a":"2.497849449","B1b":"13.06842483","B1c":"0.739567489","B1d":"1.355590452","B1e":"2.917026462","B1f":"2.173101023","B2a":"1.01023594","B2b":"1.877570152","B2c":"1.102224555","B2d":"0.930594132","B2e":"0.388587412","B2f":"0.605690798","B3a":"0.833602517","B3aa":"0.82346298","B3b":"1.413489161","B3bb":"0.840769643","B3c":"0.561374378","B3d":"4.077077336","B3e":"80.80355851","B3f":"2.632104029","B3g":"1.725910658","B3h":"0.649878568","B3i":"0.77764489","B3j":"0.563862569","B3k":"0.777154472","B3l":"0.564661306","B3m":"0.587693332","B3n":"0.69941626","B3o":"0.655119954","B3p":"2.115925499","B3q":"0.900691122","B3r":"0.742550915","B3s":"1.085075445","B3t":"2.066185281","B3u":"1.017194834","B3v":"0.836407414","B3w":"1.837085118","B3x":"0.581723605","B3y":"1.460061349","B3z":"2.750005314"},{"Metabolite":"N-Acetyl-L-aspartic acid","A1a":"8.863888067","A1b":"41.84920358","A1c":"1.990657751","A1d":"28.13489757","A1e":"8.367378302","A1f":"10.38069982","A2a":"0.223048487","A2b":"1.443399589","A2c":"6.34793744","A2d":"5.171739916","A2e":"0.497236662","A2f":"2.228033383","A3a":"1.915831638","A3b":"2.624369854","A3c":"12.5179605","A3d":"8.503455554","A3e":"23.73655844","A3f":"2.887716079","A3g":"6.454838509","A3h":"13.32068311","A3i":"0.85028124","A3j":"0.183037791","A3k":"0.605157324","A3l":"0.1871936","A3m":"0.658575193","A3n":"0.924976391","B1a":"13.47773465","B1b":"6.33755806","B1c":"9.797923019","B1d":"0.767221168","B1e":"3.982869879","B1f":"13.36744318","B2a":"6.654865878","B2b":"3.471459595","B2c":"0.398965495","B2d":"0.618403821","B2e":"2.160517943","B2f":"1.571347268","B3a":"1.564402001","B3aa":"1.194211794","B3b":"3.28621446","B3bb":"1.20049782","B3c":"2.849537404","B3d":"2.373844822","B3e":"1.218009419","B3f":"1.71794434","B3g":"0.918160781","B3h":"7.719035196","B3i":"13.16909157","B3j":"0.172738668","B3k":"0.877324707","B3l":"1.794785079","B3m":"1.34459747","B3n":"8.01389513","B3o":"8.999095254","B3p":"3.413895987","B3q":"0.189944035","B3r":"12.27854897","B3s":"7.938867537","B3t":"0.22592701","B3u":"7.541327826","B3v":"5.150106343","B3w":"25.72949497","B3x":"7.027021662","B3y":"0.642005819","B3z":"0.792593645"},{"Metabolite":"Indoleacetic acid","A1a":"193.3887011","A1b":"26.23764932","A1c":"22.53148681","A1d":"41.84410841","A1e":"16.4984415","A1f":"163.1656101","A2a":"98.6255113","A2b":"27.43245667","A2c":"37.40214325","A2d":"22.8975518","A2e":"48.39946944","A2f":"16.28542586","A3a":"19.55671807","A3b":"18.85174769","A3c":"317.1007117","A3d":"147.0250992","A3e":"237.2099203","A3f":"120.5281804","A3g":"41.32799993","A3h":"40.40243415","A3i":"128.3566382","A3j":"33.88937513","A3k":"25.80055118","A3l":"23.67042923","A3m":"26.22351415","A3n":"24.27894266","B1a":"44.80044788","B1b":"57.10199828","B1c":"37.35670813","B1d":"17.10440239","B1e":"19.25202802","B1f":"31.95918255","B2a":"35.47654713","B2b":"31.29954742","B2c":"17.73584973","B2d":"23.60659843","B2e":"18.5010154","B2f":"14.79919985","B3a":"36.13165798","B3aa":"16.25015692","B3b":"35.45713569","B3bb":"38.2513653","B3c":"34.60757689","B3d":"23.04384211","B3e":"18.62655565","B3f":"28.01715911","B3g":"75.63081132","B3h":"58.24299714","B3i":"191.4682983","B3j":"21.1902156","B3k":"23.22653517","B3l":"21.47664964","B3m":"36.98776137","B3n":"28.43231187","B3o":"100.5564586","B3p":"14.85471005","B3q":"17.46525716","B3r":"43.37087391","B3s":"16.3695616","B3t":"21.08564748","B3u":"37.81278112","B3v":"446.3817998","B3w":"39.55599989","B3x":"23.19902405","B3y":"48.89403791","B3z":"17.86751734"},{"Metabolite":"Citrulline","A1a":"1776.660939","A1b":"266.2952596","A1c":"117.3012214","A1d":"378.8762164","A1e":"73.29562759","A1f":"943.1584305","A2a":"93.73523767","A2b":"74.37034525","A2c":"108.1851722","A2d":"471.8720832","A2e":"109.157854","A2f":"70.90179857","A3a":"220.6702764","A3b":"86.98983888","A3c":"983.0355938","A3d":"1746.666059","A3e":"240.6460656","A3f":"147.1202465","A3g":"97.59973495","A3h":"335.9532438","A3i":"171.4167008","A3j":"77.69607222","A3k":"128.6389496","A3l":"72.74637739","A3m":"104.8931184","A3n":"88.65532328","B1a":"319.5408314","B1b":"600.9037856","B1c":"301.9978366","B1d":"35.83032097","B1e":"136.773762","B1f":"938.3795124","B2a":"225.0367375","B2b":"219.0264292","B2c":"14.11939038","B2d":"20.05263801","B2e":"18.08947667","B2f":"52.2648037","B3a":"142.1118965","B3aa":"76.55854758","B3b":"150.0123909","B3bb":"160.3426485","B3c":"170.8310184","B3d":"98.14012828","B3e":"84.07599295","B3f":"97.71268749","B3g":"124.3150656","B3h":"379.7050748","B3i":"592.7899758","B3j":"24.19609951","B3k":"76.81970604","B3l":"50.35366212","B3m":"125.9792568","B3n":"142.337814","B3o":"104.5498419","B3p":"25.22350034","B3q":"36.14173998","B3r":"642.139356","B3s":"29.84201139","B3t":"145.3767716","B3u":"533.0525715","B3v":"1765.704656","B3w":"617.432769","B3x":"462.3429242","B3y":"154.4419026","B3z":"67.78630983"},{"Metabolite":"Cotinine","A1a":"4.052341118","A1b":"347.0703538","A1c":"1.770945897","A1d":"439.686612","A1e":"1.29298178","A1f":"2.29986103","A2a":"0.952952029","A2b":"1.145161123","A2c":"10.28241193","A2d":"0.460822125","A2e":"1.452869198","A2f":"1.054242808","A3a":"344.858682","A3b":"311.3574844","A3c":"2.628655917","A3d":"77.37806064","A3e":"1371.241716","A3f":"561.0780485","A3g":"12.14491195","A3h":"443.3837696","A3i":"1.108908294","A3j":"1.178226783","A3k":"1.777229621","A3l":"1.357307505","A3m":"1.3289763","A3n":"0.596273464","B1a":"46.57538123","B1b":"2.060532514","B1c":"584.3985146","B1d":"4.459258958","B1e":"202.688733","B1f":"139.6339653","B2a":"496.696607","B2b":"1.765319163","B2c":"38.2769082","B2d":"1.279996625","B2e":"200.8962325","B2f":"14.23031952","B3a":"1.747157393","B3aa":"2.627517265","B3b":"1.350131956","B3bb":"3.744688578","B3c":"1.828310451","B3d":"0.450100303","B3e":"1.773255591","B3f":"268.8619631","B3g":"9.606317","B3h":"1.728165578","B3i":"3.179944778","B3j":"147.8120787","B3k":"177.4697669","B3l":"215.2445985","B3m":"152.8037999","B3n":"578.2026769","B3o":"482.3838572","B3p":"298.7540475","B3q":"8.826546048","B3r":"1105.651826","B3s":"402.5995174","B3t":"48.65516024","B3u":"249.4508748","B3v":"340.1139255","B3w":"674.3528835","B3x":"992.9438725","B3y":"278.7006853","B3z":"13.96641147"},{"Metabolite":"4-Methoxycinnamic acid","A1a":"5.602973848","A1b":"7.366308712","A1c":"3.793437483","A1d":"7.77221333","A1e":"5.403264765","A1f":"4.388010518","A2a":"2.227267581","A2b":"3.475994878","A2c":"5.238985343","A2d":"1.311474897","A2e":"5.081851137","A2f":"1.954945863","A3a":"48.40020041","A3b":"8.326230285","A3c":"8.395783036","A3d":"7.502674176","A3e":"6.8262455","A3f":"5.256226886","A3g":"5.881194293","A3h":"10.17875475","A3i":"3.548649155","A3j":"4.66633738","A3k":"6.858967783","A3l":"4.855003156","A3m":"4.840013266","A3n":"3.443327853","B1a":"8.103416039","B1b":"7.225946875","B1c":"8.599709742","B1d":"6.710863814","B1e":"4.350748222","B1f":"6.474963412","B2a":"7.442451782","B2b":"7.550786765","B2c":"5.186467041","B2d":"7.023429268","B2e":"7.191051533","B2f":"5.217303293","B3a":"9.83776107","B3aa":"4.024735009","B3b":"9.066451365","B3bb":"8.589844637","B3c":"10.59313566","B3d":"8.235096632","B3e":"6.304363282","B3f":"5.095736425","B3g":"5.76570866","B3h":"12.34697125","B3i":"11.03980153","B3j":"5.673630664","B3k":"6.181705694","B3l":"4.080684218","B3m":"4.773366812","B3n":"6.741383571","B3o":"8.401876342","B3p":"3.414896007","B3q":"3.565119111","B3r":"10.123229","B3s":"5.13680995","B3t":"6.896006111","B3u":"11.36232071","B3v":"7.430990004","B3w":"6.627162099","B3x":"8.321055108","B3y":"4.84729461","B3z":"3.586068747"},{"Metabolite":"Hippuric acid","A1a":"1.309213531","A1b":"3.530343862","A1c":"3.981361657","A1d":"8.637980729","A1e":"2.545450138","A1f":"2.548729123","A2a":"3.19673293","A2b":"3.621379518","A2c":"15.65696361","A2d":"5.534573328","A2e":"6.128490924","A2f":"4.22750462","A3a":"5.368207837","A3b":"3.317757358","A3c":"2.189412589","A3d":"1.648108002","A3e":"3.835011191","A3f":"2.008481324","A3g":"14.36058123","A3h":"14.32150584","A3i":"1.714164295","A3j":"26.30361313","A3k":"3.007902118","A3l":"2.565076326","A3m":"2.942828988","A3n":"16.08820714","B1a":"2.351199235","B1b":"5.589700764","B1c":"27.38218418","B1d":"3.577452107","B1e":"1.928167294","B1f":"3.215510317","B2a":"8.522863196","B2b":"9.43841145","B2c":"5.443785699","B2d":"1.961476189","B2e":"1.987431457","B2f":"2.276568363","B3a":"3.642751258","B3aa":"5.155109142","B3b":"4.047118907","B3bb":"6.470849862","B3c":"2.500279922","B3d":"11.56042086","B3e":"12.39040623","B3f":"0.857994169","B3g":"4.209604774","B3h":"7.780924326","B3i":"27.34870678","B3j":"4.266273774","B3k":"6.402071727","B3l":"1.15055178","B3m":"20.88907009","B3n":"2.077337679","B3o":"1.351990063","B3p":"16.96240205","B3q":"5.238096098","B3r":"2.226334435","B3s":"20.92953888","B3t":"1.387646103","B3u":"16.9184641","B3v":"1.000896558","B3w":"1.690184462","B3x":"25.14674123","B3y":"3.803651797","B3z":"5.209295664"},{"Metabolite":"Theophylline","A1a":"11.58021872","A1b":"198.9098799","A1c":"371.8355836","A1d":"1229.28525","A1e":"1002.024722","A1f":"64.27798474","A2a":"190.4789847","A2b":"69.60134139","A2c":"218.7666922","A2d":"386.050378","A2e":"439.9639542","A2f":"975.7583631","A3a":"884.0165968","A3b":"797.2310448","A3c":"221.1043752","A3d":"214.4675934","A3e":"2.289218165","A3f":"59.50454489","A3g":"232.4926751","A3h":"1023.553538","A3i":"117.8284673","A3j":"141.3061644","A3k":"72.78555477","A3l":"61.34006843","A3m":"212.354845","A3n":"92.19236661","B1a":"452.2153738","B1b":"137.8129298","B1c":"100.5992155","B1d":"654.5686806","B1e":"1.394736765","B1f":"2.174222331","B2a":"254.9965725","B2b":"212.0039034","B2c":"240.8657604","B2d":"58.69024069","B2e":"146.6037345","B2f":"20.03338707","B3a":"76.63137311","B3aa":"269.1962262","B3b":"91.40875839","B3bb":"289.3432289","B3c":"75.30015922","B3d":"238.777012","B3e":"390.5497217","B3f":"1.051221311","B3g":"75.67168205","B3h":"192.0297142","B3i":"373.7210077","B3j":"199.4953914","B3k":"892.5892056","B3l":"29.17035918","B3m":"139.0936912","B3n":"382.8084426","B3o":"260.3843212","B3p":"503.944767","B3q":"942.731862","B3r":"752.5291393","B3s":"633.4198413","B3t":"32.96815486","B3u":"57.35223863","B3v":"48.28073555","B3w":"284.6751435","B3x":"403.6780917","B3y":"154.0185576","B3z":"329.7247178"},{"Metabolite":"L-Tyrosine","A1a":"794.7060053","A1b":"565.3802812","A1c":"249.7675031","A1d":"272.690089","A1e":"224.1967314","A1f":"487.6088862","A2a":"345.1473402","A2b":"197.1226098","A2c":"105.7748207","A2d":"313.7011042","A2e":"508.7903113","A2f":"193.1073171","A3a":"418.0996021","A3b":"75.80292079","A3c":"929.2162276","A3d":"685.4050524","A3e":"667.4099494","A3f":"195.9840423","A3g":"86.34258419","A3h":"367.2465583","A3i":"778.87523","A3j":"496.664316","A3k":"107.6742488","A3l":"197.854236","A3m":"228.8383328","A3n":"381.8529288","B1a":"865.3759347","B1b":"648.0197175","B1c":"649.655574","B1d":"125.3593194","B1e":"222.0911121","B1f":"606.8803752","B2a":"150.9216257","B2b":"276.7597235","B2c":"51.15170446","B2d":"23.00453776","B2e":"16.4669611","B2f":"32.38717748","B3a":"111.8019389","B3aa":"558.6965541","B3b":"122.6333702","B3bb":"560.5866374","B3c":"101.3817095","B3d":"233.8723643","B3e":"243.1418762","B3f":"157.0102447","B3g":"279.5039369","B3h":"511.3822677","B3i":"1154.018734","B3j":"104.7875414","B3k":"143.2809356","B3l":"238.0897278","B3m":"250.2467237","B3n":"255.299725","B3o":"297.4487319","B3p":"336.5047945","B3q":"199.8091388","B3r":"679.5063016","B3s":"426.7745537","B3t":"568.6796006","B3u":"468.0454575","B3v":"1366.544183","B3w":"879.1570808","B3x":"1141.293886","B3y":"414.2025262","B3z":"593.4983335"},{"Metabolite":"9-Methyluric acid","A1a":"0.576651303","A1b":"2.672627631","A1c":"0.999818829","A1d":"0.668514472","A1e":"10.2606885","A1f":"0.49930851","A2a":"6.440504419","A2b":"11.14678776","A2c":"0.457702066","A2d":"12.6886128","A2e":"21.13344621","A2f":"1.237515631","A3a":"5.034727515","A3b":"4.321255734","A3c":"0.547994905","A3d":"0.527866349","A3e":"0.540354237","A3f":"0.395326452","A3g":"0.836679528","A3h":"0.91206391","A3i":"3.65952187","A3j":"39.98542164","A3k":"0.508501655","A3l":"1.047556558","A3m":"3.974084683","A3n":"2.97176172","B1a":"4.739466066","B1b":"3.415731753","B1c":"0.540546091","B1d":"0.421424001","B1e":"0.336037761","B1f":"0.556013912","B2a":"3.729825016","B2b":"2.294475538","B2c":"0.348392736","B2d":"0.304370056","B2e":"0.340858173","B2f":"0.317694911","B3a":"0.615982852","B3aa":"0.997329684","B3b":"1.031604569","B3bb":"1.811365983","B3c":"0.676055735","B3d":"4.396530078","B3e":"2.075314394","B3f":"0.351186327","B3g":"1.331832273","B3h":"3.238214919","B3i":"8.479100767","B3j":"0.442403393","B3k":"3.377165019","B3l":"0.398141208","B3m":"3.123260348","B3n":"0.723119749","B3o":"0.424486741","B3p":"11.64932641","B3q":"1.21422518","B3r":"0.609984765","B3s":"19.68125698","B3t":"1.151697086","B3u":"6.888197516","B3v":"0.554683327","B3w":"1.410418651","B3x":"25.79606227","B3y":"3.4838399","B3z":"2.195333955"},{"Metabolite":"Hydroxyphenyllactic acid","A1a":"1.013666813","A1b":"1.815114867","A1c":"0.61637426","A1d":"8.577787989","A1e":"0.844639845","A1f":"0.418237622","A2a":"0.811067083","A2b":"0.893948159","A2c":"1.261754709","A2d":"0.907001018","A2e":"0.915544013","A2f":"0.820036361","A3a":"3.700142177","A3b":"0.627648155","A3c":"1.475909111","A3d":"0.361336336","A3e":"0.450913707","A3f":"5.316247893","A3g":"1.035403652","A3h":"3.81078026","A3i":"0.582076851","A3j":"0.724746316","A3k":"1.236336192","A3l":"0.744808423","A3m":"0.754486554","A3n":"0.438486804","B1a":"1.726277003","B1b":"1.299798258","B1c":"63.39062943","B1d":"0.266103202","B1e":"1.033767326","B1f":"1.519668016","B2a":"1.28657134","B2b":"0.84042911","B2c":"0.631768687","B2d":"0.243997569","B2e":"0.837724937","B2f":"0.542744173","B3a":"0.764849139","B3aa":"0.992988453","B3b":"0.939751195","B3bb":"0.842776203","B3c":"0.97080797","B3d":"0.874863761","B3e":"0.68631736","B3f":"0.637849267","B3g":"0.79379595","B3h":"1.412047697","B3i":"1.407279838","B3j":"0.653375744","B3k":"0.494263701","B3l":"0.632984871","B3m":"0.786259582","B3n":"1.075695954","B3o":"1.022724016","B3p":"1.07775507","B3q":"0.845853324","B3r":"1.281389767","B3s":"1.520654656","B3t":"0.822507757","B3u":"1.791187943","B3v":"0.96341494","B3w":"1.182688113","B3x":"1.546768578","B3y":"0.987891599","B3z":"0.512281899"},{"Metabolite":"Mannitol","A1a":"229.9426803","A1b":"53.76388316","A1c":"13430.20572","A1d":"882.3903999","A1e":"112.1966444","A1f":"44.41353787","A2a":"19.526968","A2b":"25.28894505","A2c":"165.9805112","A2d":"43.06013307","A2e":"24.01967459","A2f":"42.16664281","A3a":"171.4731912","A3b":"164.7556756","A3c":"42.49691315","A3d":"210.5184831","A3e":"406.7536944","A3f":"637.153861","A3g":"127.5774228","A3h":"764.3633118","A3i":"24.1146855","A3j":"418.1781273","A3k":"303.2820256","A3l":"27.57669946","A3m":"1065.099507","A3n":"11.80950549","B1a":"39.66278967","B1b":"56.17963402","B1c":"63.36561886","B1d":"129.6106966","B1e":"113.8153764","B1f":"62.11106055","B2a":"151.8247369","B2b":"346.3662272","B2c":"1703.200343","B2d":"182.4982617","B2e":"95.46633747","B2f":"12259.92935","B3a":"249.6825482","B3aa":"22.35157145","B3b":"277.1978402","B3bb":"33.19900768","B3c":"239.8624048","B3d":"237.6209736","B3e":"217.0685059","B3f":"144.6610378","B3g":"42.9902954","B3h":"66.36896109","B3i":"65.73525832","B3j":"1102.4634","B3k":"21.23512954","B3l":"21.72586327","B3m":"23.1688103","B3n":"2919.581712","B3o":"104.1956704","B3p":"90.64278153","B3q":"75.51325591","B3r":"4709.566586","B3s":"138.5902344","B3t":"30.27282467","B3u":"202.2102024","B3v":"58.48407069","B3w":"1287.984982","B3x":"849.9068566","B3y":"664.2049901","B3z":"52.00540876"},{"Metabolite":"Saccharin","A1a":"9.645246427","A1b":"14.23208841","A1c":"21.96320862","A1d":"10.19025026","A1e":"33.34448937","A1f":"5.0833359","A2a":"22.41471207","A2b":"25.35335982","A2c":"22.40538231","A2d":"25.97569524","A2e":"22.98396957","A2f":"22.81167955","A3a":"35.58669832","A3b":"32.92006303","A3c":"10.15865041","A3d":"6.131553043","A3e":"7.012204378","A3f":"21.47743535","A3g":"30.01633071","A3h":"17.20969886","A3i":"22.75010961","A3j":"24.61926889","A3k":"19.04193414","A3l":"26.2484758","A3m":"24.15850752","A3n":"20.87141914","B1a":"21.93665232","B1b":"16.00879348","B1c":"12.33354577","B1d":"27.26183908","B1e":"25.89818497","B1f":"14.21864065","B2a":"11.96906487","B2b":"19.26245819","B2c":"25.17756709","B2d":"26.06657937","B2e":"29.73848621","B2f":"24.00671888","B3a":"22.19907025","B3aa":"26.44170326","B3b":"25.7992442","B3bb":"25.20824414","B3c":"20.44549681","B3d":"21.39478026","B3e":"18.04991082","B3f":"29.51808135","B3g":"29.91057421","B3h":"15.7433155","B3i":"4.993997832","B3j":"28.54890649","B3k":"23.16688383","B3l":"27.56821222","B3m":"56.34451339","B3n":"20.16385724","B3o":"46.10196385","B3p":"32.63974667","B3q":"27.29699376","B3r":"19.06019182","B3s":"22.83630243","B3t":"24.01261705","B3u":"21.94703818","B3v":"8.825610791","B3w":"15.58994651","B3x":"11.58854486","B3y":"38.5823366","B3z":"28.56060826"},{"Metabolite":"Alanylproline","A1a":"844.4524299","A1b":"8.591445584","A1c":"44.21377827","A1d":"24.76240463","A1e":"19.45773263","A1f":"280.3099298","A2a":"34.34201635","A2b":"31.63165726","A2c":"30.57371505","A2d":"144.320714","A2e":"17.525647","A2f":"61.44398224","A3a":"64.40049888","A3b":"19.15788778","A3c":"523.9954552","A3d":"932.0164217","A3e":"324.3177871","A3f":"104.3556209","A3g":"16.03363138","A3h":"57.22591022","A3i":"203.2384653","A3j":"80.65736286","A3k":"30.5511141","A3l":"21.38215652","A3m":"109.392277","A3n":"33.07437514","B1a":"91.00550246","B1b":"112.6993794","B1c":"33.18080381","B1d":"3.758306284","B1e":"17.24884455","B1f":"5.892054142","B2a":"7.907623564","B2b":"23.57025258","B2c":"0.911618344","B2d":"2.617921113","B2e":"6.248919176","B2f":"1.552921638","B3a":"4.347022005","B3aa":"21.50596478","B3b":"7.110596496","B3bb":"30.3758154","B3c":"7.444319961","B3d":"27.15210862","B3e":"66.24912422","B3f":"67.02112027","B3g":"169.6931711","B3h":"68.08510024","B3i":"205.8807253","B3j":"19.40190522","B3k":"65.78630771","B3l":"37.87733413","B3m":"37.09606328","B3n":"53.44710956","B3o":"66.5149071","B3p":"72.34431383","B3q":"12.43616823","B3r":"172.932689","B3s":"28.09706384","B3t":"35.98407889","B3u":"135.4090442","B3v":"1002.788166","B3w":"63.31757693","B3x":"155.8499695","B3y":"102.0354088","B3z":"26.69160723"},{"Metabolite":"N8-Acetylspermidine","A1a":"14.81358453","A1b":"21.74301492","A1c":"42.1307111","A1d":"12.32279937","A1e":"53.29857766","A1f":"13.85773062","A2a":"10.13696092","A2b":"8.131868068","A2c":"11.39886643","A2d":"34.83051641","A2e":"37.09305311","A2f":"7.520230649","A3a":"25.39520268","A3b":"8.883194326","A3c":"31.86016127","A3d":"37.72205448","A3e":"46.70756412","A3f":"29.68895085","A3g":"20.04245177","A3h":"18.29921513","A3i":"14.42194167","A3j":"17.04234503","A3k":"3.191046415","A3l":"8.057959186","A3m":"16.62627669","A3n":"6.836383888","B1a":"26.59773081","B1b":"16.88413129","B1c":"26.42627997","B1d":"14.74174022","B1e":"14.08355289","B1f":"10.65883329","B2a":"13.51353318","B2b":"61.05877845","B2c":"8.604213194","B2d":"8.708676416","B2e":"8.853360031","B2f":"11.49566476","B3a":"14.91216009","B3aa":"8.052755687","B3b":"17.9126575","B3bb":"17.48221299","B3c":"12.6249203","B3d":"63.86935935","B3e":"40.08384347","B3f":"8.3676859","B3g":"28.40325728","B3h":"8.737775492","B3i":"58.84302206","B3j":"27.67375571","B3k":"18.072468","B3l":"24.8050778","B3m":"23.50245075","B3n":"10.28544816","B3o":"37.854049","B3p":"17.07683902","B3q":"8.918792582","B3r":"15.646068","B3s":"42.798446","B3t":"10.07536437","B3u":"4.958986123","B3v":"19.41425709","B3w":"7.242025052","B3x":"10.43274853","B3y":"10.38833126","B3z":"8.018967569"},{"Metabolite":"Azelaic acid","A1a":"8.976184932","A1b":"9.535099785","A1c":"3.281555906","A1d":"17.19086603","A1e":"4.265239655","A1f":"13.83975237","A2a":"3.491796589","A2b":"10.26811876","A2c":"10.0939066","A2d":"2.755037882","A2e":"3.86421615","A2f":"2.026232203","A3a":"6.500842647","A3b":"3.807767264","A3c":"9.276595422","A3d":"4.681567995","A3e":"20.28695004","A3f":"5.508056089","A3g":"6.150503933","A3h":"19.74255067","A3i":"4.1030872","A3j":"73.00558744","A3k":"6.55623347","A3l":"8.327201728","A3m":"4.514621704","A3n":"4.381794191","B1a":"12.88764714","B1b":"2.96100723","B1c":"22.79870886","B1d":"12.46072907","B1e":"4.171738187","B1f":"49.80723372","B2a":"5.434275289","B2b":"9.986714185","B2c":"8.472696416","B2d":"6.393844011","B2e":"13.15410585","B2f":"18.326803","B3a":"14.0796753","B3aa":"2.746652039","B3b":"26.41922898","B3bb":"16.14877001","B3c":"6.542858832","B3d":"19.11649528","B3e":"3.212906594","B3f":"5.786535858","B3g":"8.373083036","B3h":"4.106656229","B3i":"16.28519024","B3j":"3.755765129","B3k":"5.29595671","B3l":"4.1193647","B3m":"11.10283849","B3n":"5.352510685","B3o":"10.12947089","B3p":"2.91915169","B3q":"4.84047177","B3r":"26.47042032","B3s":"4.889319522","B3t":"5.161354868","B3u":"14.139861","B3v":"9.370286876","B3w":"10.94035055","B3x":"6.447641705","B3y":"4.810485348","B3z":"4.943144896"},{"Metabolite":"Glycylleucine ","A1a":"576.6052779","A1b":"19.66238498","A1c":"36.05590462","A1d":"34.43560984","A1e":"12.05250256","A1f":"241.5745252","A2a":"6.038257101","A2b":"5.475687403","A2c":"18.94103198","A2d":"60.71999601","A2e":"4.873054986","A2f":"39.6373636","A3a":"77.33239292","A3b":"23.98249064","A3c":"436.1585387","A3d":"577.3031304","A3e":"83.59245003","A3f":"45.13248462","A3g":"12.55658119","A3h":"46.92426688","A3i":"60.86032345","A3j":"26.36767603","A3k":"4.781168207","A3l":"17.38681232","A3m":"27.79776983","A3n":"16.05555697","B1a":"32.8426291","B1b":"157.070142","B1c":"36.15713206","B1d":"2.69601329","B1e":"8.968122698","B1f":"12.6077577","B2a":"7.092056175","B2b":"15.97413761","B2c":"1.585988651","B2d":"6.380847536","B2e":"5.020803798","B2f":"2.78469056","B3a":"3.464210838","B3aa":"22.88457249","B3b":"4.350091693","B3bb":"46.46170038","B3c":"3.425909431","B3d":"29.93882228","B3e":"23.13523088","B3f":"25.65497677","B3g":"80.66253873","B3h":"95.25224751","B3i":"304.9836687","B3j":"9.953668609","B3k":"51.09474955","B3l":"20.74433224","B3m":"20.55230804","B3n":"50.76507095","B3o":"27.3810781","B3p":"47.9774989","B3q":"8.302202803","B3r":"101.3030103","B3s":"51.03149481","B3t":"119.1056716","B3u":"167.7567461","B3v":"406.3617323","B3w":"38.59258734","B3x":"103.6324854","B3y":"62.87789158","B3z":"22.3389853"},{"Metabolite":"N-Acetyl-L-methionine","A1a":"9.775697396","A1b":"1.381497645","A1c":"0.576709327","A1d":"1.484171256","A1e":"0.428173121","A1f":"5.637752902","A2a":"0.997132051","A2b":"1.100383799","A2c":"0.423276799","A2d":"1.449194732","A2e":"0.163617003","A2f":"0.347837916","A3a":"1.958347932","A3b":"0.981395201","A3c":"9.782304028","A3d":"15.07979982","A3e":"6.836587228","A3f":"3.287071003","A3g":"0.804432189","A3h":"1.184236048","A3i":"4.623164081","A3j":"3.343169065","A3k":"0.566318406","A3l":"0.539952873","A3m":"0.8973495","A3n":"0.513866519","B1a":"6.405108869","B1b":"1.904457819","B1c":"4.050190473","B1d":"0.163285583","B1e":"1.171593672","B1f":"0.651782697","B2a":"2.100697421","B2b":"1.211504685","B2c":"0.128082056","B2d":"0.528196241","B2e":"0.36405717","B2f":"0.174434317","B3a":"0.390978321","B3aa":"0.509616094","B3b":"0.892193802","B3bb":"1.250202451","B3c":"0.81577036","B3d":"2.753280224","B3e":"1.475840203","B3f":"0.658976871","B3g":"3.383089985","B3h":"2.739994067","B3i":"5.517412661","B3j":"0.339563046","B3k":"0.410517369","B3l":"1.54063668","B3m":"1.439278164","B3n":"1.403461904","B3o":"6.785222132","B3p":"2.61725371","B3q":"0.195917003","B3r":"6.181090144","B3s":"1.777829345","B3t":"0.447504643","B3u":"1.326192581","B3v":"40.32215001","B3w":"6.993361445","B3x":"2.50311355","B3y":"0.675861115","B3z":"0.130000365"},{"Metabolite":"Citric acid","A1a":"4.340605919","A1b":"408.5494671","A1c":"2.104521023","A1d":"4.562280296","A1e":"1.76241872","A1f":"3.377308454","A2a":"3.17505471","A2b":"1.731618796","A2c":"1.864627037","A2d":"1.93434317","A2e":"1.829436437","A2f":"1.953668467","A3a":"2.307391204","A3b":"1.93093161","A3c":"3.714256365","A3d":"3.752152045","A3e":"45.43640713","A3f":"2.640249164","A3g":"1.91637962","A3h":"3.481119385","A3i":"2.107492215","A3j":"2.102069733","A3k":"1.495730634","A3l":"1.651354351","A3m":"1.76298126","A3n":"1.649287539","B1a":"3.212534225","B1b":"2.810949919","B1c":"3.659688379","B1d":"1.733076071","B1e":"1.992680695","B1f":"4.631063402","B2a":"2.330895111","B2b":"2.980686735","B2c":"1.254040219","B2d":"1.171651039","B2e":"1.190606834","B2f":"1.171235302","B3a":"2.266649278","B3aa":"2.069007535","B3b":"2.445954401","B3bb":"2.534017057","B3c":"2.131268644","B3d":"2.987166632","B3e":"5.414265742","B3f":"2.208273696","B3g":"2.79423121","B3h":"3.871643145","B3i":"8.350874731","B3j":"1.653770759","B3k":"2.68240518","B3l":"1.725002963","B3m":"1.906938608","B3n":"2.999521349","B3o":"3.1411363","B3p":"2.410883752","B3q":"1.655409039","B3r":"5.287424192","B3s":"3.665577641","B3t":"2.063382093","B3u":"3.221361335","B3v":"6.190170198","B3w":"4.080256245","B3x":"3.865367776","B3y":"2.745256793","B3z":"2.004179881"},{"Metabolite":"Caffeine","A1a":"6.74369808","A1b":"1522.884774","A1c":"1153.671735","A1d":"3762.874461","A1e":"1882.349874","A1f":"9.550395916","A2a":"199.2213312","A2b":"164.0697427","A2c":"188.7887176","A2d":"4251.583069","A2e":"3431.081452","A2f":"210.9920887","A3a":"1292.493765","A3b":"625.7341162","A3c":"17.03802825","A3d":"141.7015976","A3e":"3.270869912","A3f":"13.62865102","A3g":"252.4095476","A3h":"3639.701649","A3i":"175.9081412","A3j":"1310.782832","A3k":"213.3436396","A3l":"145.0043699","A3m":"1765.819207","A3n":"405.4637867","B1a":"1425.949621","B1b":"312.9820219","B1c":"5140.51817","B1d":"818.3393126","B1e":"3.885472867","B1f":"3.525325634","B2a":"4070.773383","B2b":"1964.844167","B2c":"25.72541618","B2d":"10.86423057","B2e":"16.16722692","B2f":"7.694462029","B3a":"738.3571649","B3aa":"1958.513834","B3b":"976.8513965","B3bb":"1396.218771","B3c":"576.2935703","B3d":"2130.732148","B3e":"2015.60588","B3f":"3.162175827","B3g":"210.0800539","B3h":"461.5928622","B3i":"788.597518","B3j":"109.4838744","B3k":"492.8904463","B3l":"194.265526","B3m":"1097.174326","B3n":"40.73352012","B3o":"33.71329654","B3p":"440.3399711","B3q":"1237.674218","B3r":"62.58961012","B3s":"585.680775","B3t":"333.4379256","B3u":"622.1821944","B3v":"132.525046","B3w":"496.8693688","B3x":"3066.79842","B3y":"42.88165713","B3z":"2157.671839"},{"Metabolite":"DL-o-Chlorophenylalanine","A1a":"42061.32501","A1b":"44679.35416","A1c":"33151.37122","A1d":"50634.53129","A1e":"31149.53446","A1f":"41200.55344","A2a":"20779.40422","A2b":"25341.48068","A2c":"30368.1684","A2d":"27174.94659","A2e":"24393.97223","A2f":"23414.30631","A3a":"25592.54914","A3b":"28439.80855","A3c":"41586.65564","A3d":"39586.18894","A3e":"37774.1923","A3f":"32943.23028","A3g":"30744.4209","A3h":"50735.54821","A3i":"22731.8336","A3j":"23496.58207","A3k":"44101.15307","A3l":"24760.40958","A3m":"20958.73374","A3n":"20229.18666","B1a":"40475.3518","B1b":"40082.31204","B1c":"47622.76453","B1d":"31990.91344","B1e":"26053.71507","B1f":"35330.78713","B2a":"50659.28302","B2b":"42189.42067","B2c":"27564.15674","B2d":"27629.02567","B2e":"27338.84202","B2f":"26917.85752","B3a":"55978.44993","B3aa":"28837.12819","B3b":"56125.6413","B3bb":"34718.65326","B3c":"49629.95153","B3d":"31925.37019","B3e":"27902.95957","B3f":"24125.18302","B3g":"26915.80347","B3h":"52258.87147","B3i":"48383.88808","B3j":"27467.96659","B3k":"21075.16791","B3l":"27799.56578","B3m":"28559.01891","B3n":"42594.66493","B3o":"26686.49374","B3p":"23310.81836","B3q":"22575.72182","B3r":"42784.22664","B3s":"15604.31588","B3t":"22632.50906","B3u":"45105.48847","B3v":"32589.57934","B3w":"38606.75013","B3x":"45208.91794","B3y":"30518.8118","B3z":"23054.11909"},{"Metabolite":"Spermine","A1a":"6.272836471","A1b":"54.21289288","A1c":"9.047916858","A1d":"1.399794852","A1e":"9.441374677","A1f":"0.944756066","A2a":"347.7492016","A2b":"12.55829034","A2c":"9.249760145","A2d":"154.7061645","A2e":"134.1749748","A2f":"18.22558646","A3a":"54.29140409","A3b":"10.33448333","A3c":"4.138368373","A3d":"2.325761365","A3e":"54.33944696","A3f":"67.61171574","A3g":"23.10541331","A3h":"3.342243803","A3i":"52.31583477","A3j":"87.90307766","A3k":"8.698662216","A3l":"527.0773906","A3m":"43.70292231","A3n":"8.274900346","B1a":"5.171108703","B1b":"10.07671522","B1c":"2.547717082","B1d":"12.45364719","B1e":"18.29327768","B1f":"2.299919789","B2a":"3.204744459","B2b":"11.84038465","B2c":"8.771044644","B2d":"9.233486504","B2e":"10.56554175","B2f":"9.76914189","B3a":"5.518935027","B3aa":"11.19445648","B3b":"5.270815337","B3bb":"46.54603818","B3c":"5.015854454","B3d":"21.52467902","B3e":"35.26160928","B3f":"121.0020596","B3g":"61.86860872","B3h":"5.510456893","B3i":"74.86732566","B3j":"18.59333257","B3k":"72.44439475","B3l":"28.75100281","B3m":"82.83573136","B3n":"6.165973682","B3o":"113.2264813","B3p":"343.3886374","B3q":"25.99656257","B3r":"13.20924155","B3s":"466.4247928","B3t":"39.90176474","B3u":"2.529021248","B3v":"3.642696451","B3w":"4.168275442","B3x":"1.872962309","B3y":"36.3940675","B3z":"39.84093502"},{"Metabolite":" L-Tryptophan","A1a":"728.5891157","A1b":"122.189918","A1c":"79.11372199","A1d":"117.3068152","A1e":"42.16184492","A1f":"559.2231531","A2a":"184.3841548","A2b":"210.8058604","A2c":"102.6578704","A2d":"221.5520708","A2e":"142.4896142","A2f":"101.0242622","A3a":"367.7775434","A3b":"85.50460151","A3c":"916.2913621","A3d":"823.310461","A3e":"419.3023751","A3f":"282.0867243","A3g":"88.78298749","A3h":"155.3561724","A3i":"726.8624965","A3j":"521.9376815","A3k":"113.4719626","A3l":"89.92954671","A3m":"340.2449974","A3n":"85.56469242","B1a":"800.7118889","B1b":"459.0138323","B1c":"1079.280083","B1d":"37.11084727","B1e":"141.1250709","B1f":"145.7423205","B2a":"192.2917562","B2b":"164.4221508","B2c":"18.93229822","B2d":"22.98508225","B2e":"28.18132617","B2f":"21.07794303","B3a":"58.93727681","B3aa":"97.81464131","B3b":"66.69843694","B3bb":"126.5719194","B3c":"55.65125159","B3d":"271.6735115","B3e":"189.6854558","B3f":"207.4216496","B3g":"396.5460991","B3h":"234.466381","B3i":"683.1232389","B3j":"131.9621644","B3k":"121.5196347","B3l":"329.1689752","B3m":"317.0993553","B3n":"318.8147708","B3o":"577.122486","B3p":"697.9347598","B3q":"67.86575221","B3r":"817.971787","B3s":"780.0883602","B3t":"136.3097614","B3u":"152.2013438","B3v":"2178.803405","B3w":"536.5558341","B3x":"250.3579172","B3y":"435.187787","B3z":"86.15929401"},{"Metabolite":"Lipoamide","A1a":"51.51659115","A1b":"61.70948218","A1c":"35.25066284","A1d":"56.74233538","A1e":"37.30491544","A1f":"57.06869643","A2a":"26.61328914","A2b":"29.03472751","A2c":"34.73581368","A2d":"36.35218225","A2e":"29.03764315","A2f":"26.22607958","A3a":"30.56201696","A3b":"36.98657685","A3c":"59.22804102","A3d":"48.08835862","A3e":"51.34463743","A3f":"50.49694719","A3g":"40.42935281","A3h":"58.86872193","A3i":"27.9966894","A3j":"28.13080494","A3k":"49.86387695","A3l":"27.23681911","A3m":"28.08693707","A3n":"22.04767251","B1a":"52.55806232","B1b":"53.63880811","B1c":"68.91886162","B1d":"40.43064526","B1e":"32.8502467","B1f":"57.15269468","B2a":"63.38174489","B2b":"48.8482934","B2c":"31.50180765","B2d":"30.01422314","B2e":"31.12327036","B2f":"31.80859963","B3a":"65.45296981","B3aa":"30.33764261","B3b":"61.61270006","B3bb":"54.59532798","B3c":"57.72852533","B3d":"41.5500677","B3e":"33.56499302","B3f":"27.88907608","B3g":"30.30633425","B3h":"64.49858673","B3i":"52.61638944","B3j":"31.86692511","B3k":"26.35530564","B3l":"36.40329662","B3m":"29.85612607","B3n":"59.4887295","B3o":"32.01017922","B3p":"23.14755566","B3q":"28.86423875","B3r":"63.54208404","B3s":"33.69486825","B3t":"27.746037","B3u":"52.82841103","B3v":"34.86358503","B3w":"52.56476543","B3x":"49.75280651","B3y":"36.48198177","B3z":"29.96434118"},{"Metabolite":"Panthenol","A1a":"0.497317731","A1b":"1.052975403","A1c":"0.364033966","A1d":"10.98185586","A1e":"1.264445567","A1f":"0.354095316","A2a":"0.285919237","A2b":"0.61470744","A2c":"0.729562749","A2d":"0.787221273","A2e":"3.11434087","A2f":"0.27094894","A3a":"0.395542327","A3b":"0.351731458","A3c":"0.440361454","A3d":"1.087684765","A3e":"108.7364143","A3f":"50.81119317","A3g":"0.238454867","A3h":"9.006132933","A3i":"175.5550216","A3j":"3.347437441","A3k":"0.843412249","A3l":"0.928888651","A3m":"0.267305372","A3n":"1.092406313","B1a":"1.378966912","B1b":"0.483099307","B1c":"0.90271361","B1d":"1.330996604","B1e":"1.722291376","B1f":"0.415062263","B2a":"0.35166823","B2b":"0.692550644","B2c":"0.793955048","B2d":"0.386582469","B2e":"17.22171888","B2f":"0.549848669","B3a":"1.303967811","B3aa":"0.6844662","B3b":"5.863855321","B3bb":"0.67845543","B3c":"0.476035872","B3d":"0.809792809","B3e":"6.294597761","B3f":"0.649666319","B3g":"0.552770408","B3h":"0.55923217","B3i":"1.279954369","B3j":"0.189214642","B3k":"0.720578305","B3l":"0.209672023","B3m":"2.102677318","B3n":"4.531259725","B3o":"1.87169632","B3p":"0.24263998","B3q":"0.727727028","B3r":"14.95380697","B3s":"0.218349511","B3t":"0.63213561","B3u":"3.752061739","B3v":"4.662818959","B3w":"3.494681127","B3x":"2.728101216","B3y":"3.320712595","B3z":"1.454213395"},{"Metabolite":"Galactaric acid","A1a":"5.11820631","A1b":"7.073195688","A1c":"16.34624413","A1d":"16.4477487","A1e":"22.09465198","A1f":"1.150375391","A2a":"10.2669521","A2b":"2.53052694","A2c":"12.06436776","A2d":"14.71719681","A2e":"5.294539379","A2f":"4.718272121","A3a":"53.57251908","A3b":"13.697206","A3c":"6.566052854","A3d":"10.11954667","A3e":"3.453385944","A3f":"12.01882928","A3g":"13.79323791","A3h":"19.97856935","A3i":"3.922733402","A3j":"9.086362229","A3k":"4.217499733","A3l":"59.42826787","A3m":"9.803395229","A3n":"4.984283701","B1a":"5.527340634","B1b":"4.59597713","B1c":"24.87207551","B1d":"9.934630881","B1e":"14.26422091","B1f":"2.795697871","B2a":"6.206529293","B2b":"6.178990945","B2c":"5.66503425","B2d":"7.440176355","B2e":"34.99414217","B2f":"9.382865724","B3a":"6.841491464","B3aa":"5.146821163","B3b":"8.730691353","B3bb":"11.43149707","B3c":"5.330291542","B3d":"7.73210899","B3e":"9.781950261","B3f":"10.87918522","B3g":"16.37799552","B3h":"4.600159914","B3i":"10.75927631","B3j":"22.66721036","B3k":"18.91950399","B3l":"12.22008969","B3m":"13.48169502","B3n":"6.522402709","B3o":"9.589083976","B3p":"20.68733216","B3q":"8.148226599","B3r":"10.15953091","B3s":"9.821081684","B3t":"11.27010192","B3u":"12.71337713","B3v":"3.550875839","B3w":"10.14200362","B3x":"2.67447125","B3y":"14.17237934","B3z":"15.58037793"},{"Metabolite":"Pantothenic acid","A1a":"22.55593698","A1b":"73.1833863","A1c":"15.14100403","A1d":"23.24682842","A1e":"2.651278777","A1f":"14.12805435","A2a":"5.398506023","A2b":"37.1144304","A2c":"1.996137791","A2d":"10.09975269","A2e":"4.940585724","A2f":"7.151621137","A3a":"15.69948657","A3b":"13.65075159","A3c":"17.57522536","A3d":"19.05445023","A3e":"8.443775466","A3f":"7.618871153","A3g":"2.280300086","A3h":"18.28223387","A3i":"24.60999884","A3j":"29.00012455","A3k":"2.863977555","A3l":"3.913237499","A3m":"5.953321014","A3n":"0.500393153","B1a":"21.00152578","B1b":"28.92468865","B1c":"16.84262783","B1d":"2.427146505","B1e":"4.814176372","B1f":"17.25365636","B2a":"6.672935284","B2b":"13.41582515","B2c":"1.321623874","B2d":"1.885506146","B2e":"4.618225805","B2f":"1.586996184","B3a":"5.601973133","B3aa":"2.861934485","B3b":"6.647164834","B3bb":"11.92306812","B3c":"4.761620961","B3d":"11.33168627","B3e":"9.375064754","B3f":"5.569643797","B3g":"21.6607445","B3h":"29.66717107","B3i":"59.09547781","B3j":"2.400448342","B3k":"1.585321697","B3l":"3.732638537","B3m":"11.11357476","B3n":"8.516460291","B3o":"21.05829","B3p":"22.67741354","B3q":"2.937521904","B3r":"8.327246838","B3s":"30.3862183","B3t":"8.815201028","B3u":"9.921848624","B3v":"23.01883118","B3w":"2.100890735","B3x":"1.475318248","B3y":"2.634693963","B3z":"2.57784387"},{"Metabolite":"N-Acetyl-D-glucosamine","A1a":"387.0723901","A1b":"562.5420812","A1c":"174.8337398","A1d":"1005.139545","A1e":"407.6317078","A1f":"654.4917647","A2a":"42.94361178","A2b":"22.09812259","A2c":"284.3826876","A2d":"697.3121259","A2e":"23.69038107","A2f":"220.1325647","A3a":"214.5614752","A3b":"87.93899011","A3c":"864.7088354","A3d":"466.8613844","A3e":"1236.401842","A3f":"542.8777803","A3g":"201.4559992","A3h":"833.1002366","A3i":"45.41622469","A3j":"175.9745712","A3k":"312.8951141","A3l":"34.34335096","A3m":"726.1689729","A3n":"110.8498254","B1a":"347.6908424","B1b":"430.3262641","B1c":"363.8904677","B1d":"71.97033835","B1e":"204.4651538","B1f":"257.4708054","B2a":"534.1907901","B2b":"198.3346904","B2c":"14.83026612","B2d":"39.3211256","B2e":"16.92706759","B2f":"24.18620452","B3a":"97.63413948","B3aa":"230.9449005","B3b":"100.3259417","B3bb":"192.2534079","B3c":"116.1475627","B3d":"147.1680394","B3e":"416.2663047","B3f":"2018.732154","B3g":"540.7363811","B3h":"255.2619237","B3i":"480.7972134","B3j":"58.3482326","B3k":"663.6707114","B3l":"175.3402472","B3m":"484.7257162","B3n":"390.9525269","B3o":"172.0971168","B3p":"240.1578853","B3q":"345.6695228","B3r":"375.8438095","B3s":"199.5358095","B3t":"51.97803408","B3u":"422.9352163","B3v":"875.114311","B3w":"536.2038092","B3x":"192.5706476","B3y":"424.8893721","B3z":"178.8427195"},{"Metabolite":"Glycyl-Phenylalanine","A1a":"260.0910172","A1b":"6.850237851","A1c":"11.84587608","A1d":"11.79826497","A1e":"4.057902902","A1f":"55.64830622","A2a":"16.25402374","A2b":"15.69876539","A2c":"5.151259727","A2d":"49.42852554","A2e":"13.03660639","A2f":"33.88559409","A3a":"69.90461113","A3b":"7.957894628","A3c":"125.3943194","A3d":"252.7710952","A3e":"44.11524657","A3f":"17.61160694","A3g":"3.197243248","A3h":"13.81684377","A3i":"129.4497001","A3j":"24.88994135","A3k":"8.901347968","A3l":"15.92567881","A3m":"26.66582936","A3n":"14.54881314","B1a":"71.86327145","B1b":"69.49785061","B1c":"20.67288465","B1d":"1.400901932","B1e":"9.02332783","B1f":"5.390202029","B2a":"3.879677511","B2b":"12.82380396","B2c":"0.216134283","B2d":"2.145804764","B2e":"1.400843468","B2f":"1.055937617","B3a":"2.881611927","B3aa":"80.52218315","B3b":"4.9051093","B3bb":"29.29019219","B3c":"4.194200583","B3d":"14.86072291","B3e":"13.40063503","B3f":"9.557704553","B3g":"47.3634805","B3h":"28.81607474","B3i":"96.22621794","B3j":"13.58974412","B3k":"13.71280535","B3l":"27.93512026","B3m":"19.5609939","B3n":"15.57180702","B3o":"23.84686133","B3p":"21.32797843","B3q":"5.859478595","B3r":"54.09329569","B3s":"8.163862841","B3t":"56.0268292","B3u":"49.00234483","B3v":"483.6280812","B3w":"34.85319625","B3x":"93.81889797","B3y":"51.96381617","B3z":"32.33592577"},{"Metabolite":"Methyl dihydrojasmonate","A1a":"284.5097981","A1b":"66.98885088","A1c":"358.2926075","A1d":"317.287307","A1e":"138.8102096","A1f":"91.59848285","A2a":"313.0987137","A2b":"613.2405452","A2c":"1108.77026","A2d":"353.2066545","A2e":"781.7377148","A2f":"663.7243976","A3a":"730.2506932","A3b":"213.3738279","A3c":"135.9975848","A3d":"193.5373024","A3e":"191.8564226","A3f":"138.8235067","A3g":"119.577237","A3h":"124.3420218","A3i":"348.5499624","A3j":"165.5749456","A3k":"151.7135105","A3l":"543.4976962","A3m":"136.9378073","A3n":"80.68173677","B1a":"424.3170715","B1b":"694.6814918","B1c":"296.5524004","B1d":"134.7563938","B1e":"836.9637185","B1f":"339.1271981","B2a":"143.5567293","B2b":"497.4133342","B2c":"111.6291179","B2d":"137.7804105","B2e":"145.8241304","B2f":"262.202008","B3a":"203.4212592","B3aa":"150.2202422","B3b":"209.5423332","B3bb":"97.66006289","B3c":"198.3277661","B3d":"149.2230789","B3e":"203.5394129","B3f":"181.244757","B3g":"126.1519898","B3h":"197.6526215","B3i":"151.15836","B3j":"78.34636056","B3k":"611.7876743","B3l":"191.9942687","B3m":"451.1698468","B3n":"141.2209453","B3o":"86.59395678","B3p":"97.24548267","B3q":"530.5219799","B3r":"227.8677515","B3s":"303.4972366","B3t":"160.3347337","B3u":"120.0198285","B3v":"64.71630225","B3w":"113.4610985","B3x":"283.0771191","B3y":"127.1062945","B3z":"430.3531834"},{"Metabolite":"Butyrylcarnitine ","A1a":"26.34282532","A1b":"44.50699928","A1c":"11.54884905","A1d":"27.59004574","A1e":"8.835013193","A1f":"31.58957075","A2a":"0.203446172","A2b":"3.102981871","A2c":"18.55862851","A2d":"21.89256613","A2e":"26.78786839","A2f":"3.003455647","A3a":"22.50336737","A3b":"10.80042794","A3c":"49.75190918","A3d":"24.44710979","A3e":"14.02070134","A3f":"16.65004964","A3g":"17.50818522","A3h":"28.53471948","A3i":"8.466079287","A3j":"6.250118181","A3k":"2.178822977","A3l":"22.24145717","A3m":"10.03821938","A3n":"5.848386199","B1a":"23.70361582","B1b":"54.82992591","B1c":"55.80391899","B1d":"3.568992483","B1e":"4.373341465","B1f":"11.21951665","B2a":"13.05352027","B2b":"20.33638826","B2c":"1.703750296","B2d":"2.165079978","B2e":"2.597466486","B2f":"7.236419395","B3a":"8.834635026","B3aa":"11.81909788","B3b":"10.06603453","B3bb":"33.31213193","B3c":"6.567627963","B3d":"23.76099276","B3e":"21.48773174","B3f":"8.098962986","B3g":"29.39340721","B3h":"58.32171306","B3i":"140.9030673","B3j":"2.393728846","B3k":"3.474836995","B3l":"3.309008069","B3m":"6.342190702","B3n":"12.62071631","B3o":"30.89302332","B3p":"8.787874833","B3q":"6.707056318","B3r":"20.21090716","B3s":"10.976698","B3t":"7.411677572","B3u":"22.4810153","B3v":"5.135559271","B3w":"9.307171308","B3x":"13.03400164","B3y":"5.47011785","B3z":"15.73087861"},{"Metabolite":"Thymidine","A1a":"42.38859891","A1b":"0.935729101","A1c":"0.61265919","A1d":"1.405541841","A1e":"0.564538559","A1f":"1.480905273","A2a":"0.81805859","A2b":"0.462621787","A2c":"0.576442118","A2d":"0.536402328","A2e":"0.549564109","A2f":"0.475106265","A3a":"0.924885076","A3b":"0.503460797","A3c":"3.328857598","A3d":"40.22963083","A3e":"8.607348692","A3f":"4.184224368","A3g":"0.572857959","A3h":"0.836241209","A3i":"0.664276339","A3j":"0.595129212","A3k":"0.71577477","A3l":"0.482402669","A3m":"0.666677182","A3n":"0.428687732","B1a":"11.24484856","B1b":"0.779351794","B1c":"8.874079411","B1d":"0.55164216","B1e":"0.84975874","B1f":"1.805330103","B2a":"0.798272499","B2b":"0.684318717","B2c":"0.472747074","B2d":"0.411506035","B2e":"0.465362136","B2f":"0.412761948","B3a":"0.84611441","B3aa":"0.638523539","B3b":"0.916673433","B3bb":"0.704897348","B3c":"0.75652455","B3d":"0.645317453","B3e":"0.651038518","B3f":"0.793037278","B3g":"2.37059233","B3h":"0.941091095","B3i":"1.028026895","B3j":"0.609582898","B3k":"0.63961327","B3l":"1.204412844","B3m":"0.958087035","B3n":"0.800284211","B3o":"1.126317849","B3p":"1.314621559","B3q":"0.542839655","B3r":"5.000671033","B3s":"1.547634175","B3t":"0.514585194","B3u":"0.891631823","B3v":"66.77302215","B3w":"23.00207569","B3x":"0.946215023","B3y":"0.654550638","B3z":"0.557671429"},{"Metabolite":"N-Undecanoylglycine","A1a":"601.754017","A1b":"312.9981568","A1c":"812.7130674","A1d":"899.5920419","A1e":"246.846034","A1f":"151.8227917","A2a":"1356.000153","A2b":"1726.861796","A2c":"2821.637872","A2d":"824.7060404","A2e":"1722.425058","A2f":"1775.698809","A3a":"1624.812995","A3b":"353.7825209","A3c":"238.0562254","A3d":"397.2349551","A3e":"174.5105426","A3f":"217.1620076","A3g":"211.3377075","A3h":"544.5673353","A3i":"632.4071873","A3j":"829.5056667","A3k":"263.890967","A3l":"1632.661654","A3m":"373.0782555","A3n":"109.4502607","B1a":"1046.166653","B1b":"1113.664013","B1c":"684.6498364","B1d":"226.3266185","B1e":"1456.079292","B1f":"729.58794","B2a":"672.767474","B2b":"1933.866406","B2c":"487.6580001","B2d":"254.5447216","B2e":"631.3056974","B2f":"1108.405356","B3a":"311.3843977","B3aa":"262.5074632","B3b":"248.0757618","B3bb":"131.6311741","B3c":"290.4639843","B3d":"321.8233749","B3e":"467.4559411","B3f":"468.1444797","B3g":"223.0035552","B3h":"168.7834127","B3i":"211.6222045","B3j":"266.3846299","B3k":"1187.540859","B3l":"351.5948713","B3m":"1036.423227","B3n":"503.2856677","B3o":"113.9554707","B3p":"179.7009809","B3q":"1068.087284","B3r":"375.3753636","B3s":"659.7895101","B3t":"367.7271158","B3u":"195.0452575","B3v":"78.15446279","B3w":"542.5129621","B3x":"601.3502762","B3y":"233.803977","B3z":"771.1518353"},{"Metabolite":"Isovalerylcarnitine","A1a":"63.67379329","A1b":"91.61852008","A1c":"9.823767981","A1d":"16.14027606","A1e":"3.309705519","A1f":"12.10810107","A2a":"0.114597917","A2b":"3.614315945","A2c":"3.889993432","A2d":"15.09725196","A2e":"37.28441781","A2f":"9.362634477","A3a":"74.92752471","A3b":"51.48133784","A3c":"20.25846579","A3d":"70.02335989","A3e":"13.71367368","A3f":"10.76836134","A3g":"3.005812644","A3h":"17.14695945","A3i":"15.00125843","A3j":"11.09921999","A3k":"1.432494964","A3l":"12.28121899","A3m":"13.06694402","A3n":"3.022809463","B1a":"14.09258238","B1b":"57.32111806","B1c":"57.77372823","B1d":"3.392692166","B1e":"10.3916409","B1f":"4.255694719","B2a":"51.15585201","B2b":"148.8403556","B2c":"0.746085505","B2d":"3.676900224","B2e":"1.720881479","B2f":"1.450718491","B3a":"35.28073314","B3aa":"5.275265663","B3b":"45.16226765","B3bb":"25.07229254","B3c":"31.61334041","B3d":"150.0225555","B3e":"163.1825074","B3f":"8.30847571","B3g":"39.3737851","B3h":"72.13399701","B3i":"180.1414582","B3j":"1.939083027","B3k":"3.445161391","B3l":"3.311716622","B3m":"3.166918544","B3n":"35.94249661","B3o":"16.01848443","B3p":"9.531481462","B3q":"8.415736382","B3r":"9.500068075","B3s":"10.92554648","B3t":"12.25970178","B3u":"25.93074438","B3v":"1.371625973","B3w":"5.727396335","B3x":"6.536461623","B3y":"2.946130699","B3z":"12.77915878"},{"Metabolite":"Deoxyinosine","A1a":"109.2981353","A1b":"2.630214609","A1c":"0.857515753","A1d":"1.466727087","A1e":"0.812268435","A1f":"2.274174053","A2a":"0.810432471","A2b":"0.79383082","A2c":"0.761247895","A2d":"1.45562408","A2e":"0.777040724","A2f":"0.645247657","A3a":"1.335359819","A3b":"0.806050148","A3c":"8.917135426","A3d":"103.1018201","A3e":"26.43605397","A3f":"9.851532752","A3g":"0.931866828","A3h":"1.715840042","A3i":"0.653917134","A3j":"0.670246521","A3k":"1.073896941","A3l":"0.728671019","A3m":"0.832900819","A3n":"0.597495587","B1a":"24.07194664","B1b":"1.4800018","B1c":"11.87839567","B1d":"0.88323808","B1e":"0.895811241","B1f":"1.274451008","B2a":"1.457455778","B2b":"0.980187088","B2c":"0.72833337","B2d":"0.711099793","B2e":"0.722506212","B2f":"0.72324913","B3a":"1.455339274","B3aa":"0.900922695","B3b":"1.393946532","B3bb":"1.157221648","B3c":"1.220432602","B3d":"1.488436976","B3e":"1.480321131","B3f":"0.827968795","B3g":"7.33538839","B3h":"1.461370249","B3i":"1.664641209","B3j":"1.071687087","B3k":"0.820144639","B3l":"2.374547473","B3m":"1.444044155","B3n":"2.870217023","B3o":"3.096110591","B3p":"1.171229222","B3q":"0.84022772","B3r":"6.523089615","B3s":"0.894753361","B3t":"0.7015364","B3u":"1.633327989","B3v":"212.7073299","B3w":"19.35083026","B3x":"2.619536266","B3y":"0.952316395","B3z":"0.775449083"},{"Metabolite":"Glycerophosphocholine","A1a":"171.9791491","A1b":"253.972756","A1c":"108.4251726","A1d":"627.3032099","A1e":"188.7072121","A1f":"240.3439238","A2a":"27.50790139","A2b":"29.44890514","A2c":"91.50443186","A2d":"88.48927235","A2e":"62.36203373","A2f":"17.54276789","A3a":"26.44403394","A3b":"78.02415222","A3c":"183.3194509","A3d":"111.1600591","A3e":"136.1546015","A3f":"66.22841323","A3g":"83.85353194","A3h":"368.9487403","A3i":"49.81321373","A3j":"22.57202649","A3k":"294.6992956","A3l":"4.965001781","A3m":"38.97319432","A3n":"43.61766973","B1a":"142.4436627","B1b":"228.0579988","B1c":"144.7528815","B1d":"84.85754862","B1e":"49.74487997","B1f":"483.9454246","B2a":"373.7228261","B2b":"101.7794893","B2c":"40.88894047","B2d":"15.99956101","B2e":"23.80357128","B2f":"254.5583475","B3a":"229.1735825","B3aa":"59.79427813","B3b":"157.5015534","B3bb":"74.0890739","B3c":"249.3259954","B3d":"158.7779062","B3e":"59.330061","B3f":"19.29514301","B3g":"29.84917194","B3h":"359.8627592","B3i":"175.2236984","B3j":"25.30869565","B3k":"31.39647254","B3l":"73.95182204","B3m":"30.34532997","B3n":"108.0484048","B3o":"31.1480345","B3p":"9.005559433","B3q":"34.83726992","B3r":"407.3345836","B3s":"28.35610725","B3t":"20.559748","B3u":"267.6535474","B3v":"99.29887908","B3w":"222.363811","B3x":"240.6325356","B3y":"57.5032407","B3z":"26.39519123"},{"Metabolite":"Threonylphenylalanine","A1a":"432.8332687","A1b":"220.8828589","A1c":"129.4921002","A1d":"162.1479713","A1e":"141.176806","A1f":"214.9702857","A2a":"9.394758038","A2b":"15.75943179","A2c":"249.4804468","A2d":"169.1844897","A2e":"4.529180143","A2f":"137.0547382","A3a":"262.4161984","A3b":"77.98509087","A3c":"393.4021456","A3d":"419.8880472","A3e":"992.4831227","A3f":"521.3078799","A3g":"230.3710053","A3h":"255.26537","A3i":"71.43853368","A3j":"78.66071712","A3k":"16.26986925","A3l":"13.49985626","A3m":"121.1823965","A3n":"34.84561219","B1a":"29.94786715","B1b":"56.60991557","B1c":"7.710932032","B1d":"132.062831","B1e":"48.31919431","B1f":"39.52459167","B2a":"20.25172472","B2b":"190.5056019","B2c":"4.876866985","B2d":"28.63163874","B2e":"196.7697189","B2f":"3.465580559","B3a":"56.22069922","B3aa":"202.2293975","B3b":"71.79523314","B3bb":"187.9333483","B3c":"59.09712754","B3d":"207.0937292","B3e":"281.4168405","B3f":"622.5264285","B3g":"230.8214157","B3h":"276.0191769","B3i":"639.1346319","B3j":"104.0990918","B3k":"470.9525244","B3l":"121.0693568","B3m":"213.0039061","B3n":"184.4854218","B3o":"58.95118325","B3p":"150.0448682","B3q":"414.0587025","B3r":"268.4922581","B3s":"190.8116488","B3t":"135.7788681","B3u":"267.4554415","B3v":"368.3239231","B3w":"117.5519335","B3x":"271.393191","B3y":"121.5437695","B3z":"226.652868"},{"Metabolite":"Adenosine","A1a":"182.8729272","A1b":"7.035421722","A1c":"8.007210984","A1d":"6.834085899","A1e":"53.43693726","A1f":"1.447519044","A2a":"31.32814255","A2b":"12.84853373","A2c":"2.864943746","A2d":"1.631762698","A2e":"22.23995794","A2f":"9.153801477","A3a":"39.70077147","A3b":"173.7537652","A3c":"3.053807524","A3d":"125.2798372","A3e":"67.08073997","A3f":"9.688926274","A3g":"3.091992594","A3h":"5.363593855","A3i":"19.23752571","A3j":"35.42249645","A3k":"5.573749128","A3l":"209.4044757","A3m":"35.83837167","A3n":"20.42746597","B1a":"64.33368491","B1b":"1.530069767","B1c":"249.8295324","B1d":"3.816798656","B1e":"315.7648317","B1f":"136.5727909","B2a":"3.713287113","B2b":"22.66587563","B2c":"52.6346671","B2d":"72.6272549","B2e":"56.72051157","B2f":"59.72428571","B3a":"13.2568225","B3aa":"5.161375423","B3b":"19.1543272","B3bb":"12.22127492","B3c":"3.89397525","B3d":"66.67739432","B3e":"48.7232522","B3f":"1.019281779","B3g":"34.30080082","B3h":"4.839420236","B3i":"6.225910527","B3j":"98.30333083","B3k":"27.52038606","B3l":"133.6304892","B3m":"159.557433","B3n":"116.8612863","B3o":"75.195394","B3p":"790.2497997","B3q":"8.595067367","B3r":"131.8750995","B3s":"144.0452039","B3t":"10.40897223","B3u":"4.061470353","B3v":"145.5192637","B3w":"75.44622674","B3x":"20.68856176","B3y":"41.59288687","B3z":"7.071920031"},{"Metabolite":"Inosine","A1a":"46.18040525","A1b":"57.73123139","A1c":"13.4874381","A1d":"15.88778071","A1e":"27.76160074","A1f":"1.427036271","A2a":"4.266751116","A2b":"1.216047486","A2c":"93.1702522","A2d":"67.54452844","A2e":"1.688742133","A2f":"3.384155514","A3a":"75.64687594","A3b":"61.20913885","A3c":"9.662268194","A3d":"60.57069233","A3e":"39.59385057","A3f":"52.47103738","A3g":"75.29294111","A3h":"45.14111331","A3i":"5.790760731","A3j":"18.23123168","A3k":"10.50707636","A3l":"3.74479271","A3m":"43.92837361","A3n":"11.58203627","B1a":"138.0233386","B1b":"11.15981111","B1c":"108.3437565","B1d":"5.819999316","B1e":"42.48419457","B1f":"49.77200001","B2a":"68.8595296","B2b":"108.0573454","B2c":"2.266456828","B2d":"10.01338159","B2e":"11.72025494","B2f":"4.684328932","B3a":"26.55279343","B3aa":"10.36396917","B3b":"37.28114186","B3bb":"21.96964603","B3c":"31.34795887","B3d":"139.8566518","B3e":"149.9544254","B3f":"51.60372333","B3g":"96.15282742","B3h":"42.63564841","B3i":"60.46154502","B3j":"28.15776807","B3k":"19.71872728","B3l":"73.90063323","B3m":"95.02285392","B3n":"71.16225158","B3o":"38.93804907","B3p":"55.65341954","B3q":"23.18704285","B3r":"54.09663327","B3s":"44.00738199","B3t":"6.97293832","B3u":"6.422757728","B3v":"210.2419567","B3w":"36.88707594","B3x":"10.68865754","B3y":"18.81626216","B3z":"6.95519847"},{"Metabolite":"Heptadecanoic acid","A1a":"9.892628061","A1b":"8.86898588","A1c":"35.1186133","A1d":"7.190896779","A1e":"36.34574514","A1f":"7.266304732","A2a":"11.86011284","A2b":"5.941542184","A2c":"37.643288","A2d":"30.28798355","A2e":"2.204128056","A2f":"6.811464435","A3a":"1.559226826","A3b":"34.83846835","A3c":"49.96713964","A3d":"48.60040766","A3e":"6.790098483","A3f":"41.79405688","A3g":"3.335430263","A3h":"51.62573488","A3i":"25.20426197","A3j":"23.4636327","A3k":"5.95644206","A3l":"8.050478085","A3m":"2.494814798","A3n":"27.15065794","B1a":"11.59419339","B1b":"53.18423334","B1c":"55.20571996","B1d":"35.16067868","B1e":"32.86895887","B1f":"56.22741081","B2a":"4.801446171","B2b":"51.71887049","B2c":"3.223531963","B2d":"33.29864347","B2e":"31.81440586","B2f":"2.143850785","B3a":"6.162666057","B3aa":"45.53217406","B3b":"58.23822148","B3bb":"8.610823018","B3c":"47.484364","B3d":"5.753606705","B3e":"8.738342912","B3f":"30.10090718","B3g":"2.87939381","B3h":"15.16641383","B3i":"42.54475975","B3j":"29.93236646","B3k":"6.07532822","B3l":"6.36043772","B3m":"10.55111412","B3n":"42.50536732","B3o":"35.58267444","B3p":"21.62448534","B3q":"29.91989419","B3r":"53.04105079","B3s":"6.2419915","B3t":"28.3308159","B3u":"68.86828425","B3v":"11.99963776","B3w":"50.9271838","B3x":"6.836506101","B3y":"37.40175805","B3z":"9.322346936"},{"Metabolite":"alpha-Linolenic acid","A1a":"14.97033684","A1b":"9.220972297","A1c":"4.481924763","A1d":"10.48934319","A1e":"9.370873227","A1f":"5.235834644","A2a":"3.573742454","A2b":"2.563424878","A2c":"8.129429671","A2d":"4.585199501","A2e":"5.130869565","A2f":"4.697894705","A3a":"17.80841968","A3b":"13.24178314","A3c":"11.24278346","A3d":"13.23435303","A3e":"10.26996601","A3f":"16.08698201","A3g":"5.400528579","A3h":"10.07739284","A3i":"2.382852872","A3j":"2.698513248","A3k":"4.276134586","A3l":"3.502951531","A3m":"2.684463861","A3n":"2.443102143","B1a":"7.297848167","B1b":"6.996254229","B1c":"3.228803666","B1d":"10.94588405","B1e":"5.508280705","B1f":"7.867780066","B2a":"8.269414509","B2b":"5.322605125","B2c":"3.583918957","B2d":"3.971341015","B2e":"5.85419769","B2f":"4.099978513","B3a":"5.515393004","B3aa":"3.412477962","B3b":"7.38897316","B3bb":"6.711489025","B3c":"4.448977915","B3d":"25.33104845","B3e":"55.31532518","B3f":"7.133772025","B3g":"7.12294952","B3h":"3.2395181","B3i":"8.426312657","B3j":"5.19534862","B3k":"2.502648858","B3l":"3.069852312","B3m":"2.530107774","B3n":"5.356183179","B3o":"11.6893882","B3p":"14.430616","B3q":"3.803083713","B3r":"11.15825337","B3s":"18.79683214","B3t":"7.569608568","B3u":"7.74165148","B3v":"7.146091266","B3w":"8.982606451","B3x":"11.28261042","B3y":"5.972718513","B3z":"4.567455931"},{"Metabolite":"Linoelaidic acid","A1a":"4.255888245","A1b":"16.41516009","A1c":"2.911425992","A1d":"6.073540149","A1e":"2.105820926","A1f":"1675.914672","A2a":"17.46274795","A2b":"2.159703373","A2c":"2.526287467","A2d":"2.368687262","A2e":"2.21866579","A2f":"1.550086004","A3a":"851.7177146","A3b":"12.69792302","A3c":"3849.328065","A3d":"8.889108466","A3e":"356.588564","A3f":"3203.798095","A3g":"3.025760078","A3h":"12.26378189","A3i":"139.7262632","A3j":"3.087161719","A3k":"6.360377256","A3l":"18.15925646","A3m":"9.366166016","A3n":"1.598798953","B1a":"4.140027144","B1b":"4.832720416","B1c":"3.923156007","B1d":"1.790849898","B1e":"10.58574308","B1f":"3.562573717","B2a":"3.715825166","B2b":"3.396207846","B2c":"1.677416234","B2d":"1.688884695","B2e":"1.776699069","B2f":"1.783216149","B3a":"5.160301221","B3aa":"2.281448321","B3b":"4.214359904","B3bb":"3.878246945","B3c":"3.172082403","B3d":"6.053420149","B3e":"2.936505769","B3f":"2.607744309","B3g":"3.51100667","B3h":"5.333475296","B3i":"3.814823107","B3j":"2.30977777","B3k":"2.748707637","B3l":"1.65484648","B3m":"2.23221693","B3n":"4.067001469","B3o":"4.096511145","B3p":"11.13979633","B3q":"2.016521037","B3r":"4.926846985","B3s":"7.599237045","B3t":"8.033484477","B3u":"6.234023701","B3v":"5.689671637","B3w":"4.71543603","B3x":"7.391092742","B3y":"2.832073777","B3z":"2.064030547"},{"Metabolite":"Oleamide","A1a":"472.8118188","A1b":"612.6924317","A1c":"400.4754548","A1d":"495.1574204","A1e":"350.1674859","A1f":"403.4937031","A2a":"190.1171837","A2b":"187.2822329","A2c":"268.2625278","A2d":"371.7621963","A2e":"233.3090534","A2f":"203.9680734","A3a":"210.0219638","A3b":"296.682398","A3c":"404.66434","A3d":"373.8114517","A3e":"499.2271399","A3f":"336.0520401","A3g":"168.2943946","A3h":"462.9534142","A3i":"180.8816862","A3j":"71.23543338","A3k":"225.8322642","A3l":"195.1821902","A3m":"116.8936657","A3n":"118.8028932","B1a":"583.9738833","B1b":"529.3535342","B1c":"453.72363","B1d":"411.7633983","B1e":"290.4999689","B1f":"558.3902123","B2a":"691.1638063","B2b":"387.7832155","B2c":"407.8815196","B2d":"307.9164735","B2e":"273.9171623","B2f":"238.6611628","B3a":"308.3605967","B3aa":"225.4386909","B3b":"381.2725018","B3bb":"321.4679232","B3c":"407.1239107","B3d":"292.1493939","B3e":"506.3388433","B3f":"358.9013525","B3g":"425.8498482","B3h":"281.4195558","B3i":"462.8632165","B3j":"236.4153155","B3k":"222.3971235","B3l":"166.8286256","B3m":"255.2203404","B3n":"527.9350337","B3o":"365.009344","B3p":"233.910099","B3q":"337.0820872","B3r":"398.6078452","B3s":"202.9352811","B3t":"321.5998777","B3u":"460.9962283","B3v":"180.5640739","B3w":"768.2347455","B3x":"599.4244357","B3y":"387.4320917","B3z":"335.1616797"},{"Metabolite":"Guanosine","A1a":"47.38853601","A1b":"17.50748086","A1c":"10.28039633","A1d":"11.53975803","A1e":"32.74898182","A1f":"0.775242225","A2a":"10.14799","A2b":"0.952501165","A2c":"63.64842105","A2d":"69.73003264","A2e":"2.32155488","A2f":"3.702407446","A3a":"91.76837317","A3b":"96.425972","A3c":"8.939899167","A3d":"49.81613165","A3e":"24.73896188","A3f":"31.07571182","A3g":"54.46116816","A3h":"26.8914546","A3i":"6.875098008","A3j":"21.55461332","A3k":"10.80330481","A3l":"19.56496866","A3m":"61.18842154","A3n":"17.01989228","B1a":"89.44680443","B1b":"9.837057655","B1c":"135.1687306","B1d":"2.845186606","B1e":"70.32601458","B1f":"60.20868853","B2a":"23.07774614","B2b":"88.61046726","B2c":"5.908363499","B2d":"10.06422376","B2e":"5.66429142","B2f":"6.654248735","B3a":"28.2352181","B3aa":"11.94058098","B3b":"41.68426977","B3bb":"12.62310165","B3c":"30.89512726","B3d":"151.8368017","B3e":"161.5456657","B3f":"38.09147802","B3g":"95.42610922","B3h":"16.69379687","B3i":"29.91903221","B3j":"28.99207401","B3k":"28.67254763","B3l":"64.08966162","B3m":"73.22298038","B3n":"87.63425713","B3o":"42.69553664","B3p":"279.3915235","B3q":"17.56607151","B3r":"46.696826","B3s":"65.19650147","B3t":"8.121270836","B3u":"7.868329495","B3v":"107.9121498","B3w":"41.94096687","B3x":"10.03266498","B3y":"20.92447684","B3z":"8.465169159"},{"Metabolite":"Aspartame","A1a":"0.180720346","A1b":"0.201285382","A1c":"1045.63945","A1d":"37.88647368","A1e":"22.04825731","A1f":"0.164847028","A2a":"0.091473561","A2b":"0.104224022","A2c":"0.131587148","A2d":"0.117873795","A2e":"0.163199394","A2f":"0.09638418","A3a":"0.491424314","A3b":"0.571651308","A3c":"0.261442307","A3d":"0.266018245","A3e":"0.163458128","A3f":"0.220065336","A3g":"0.142300639","A3h":"34.18189757","A3i":"0.094992088","A3j":"0.098672999","A3k":"0.162934218","A3l":"0.104420473","A3m":"0.119454071","A3n":"0.523645777","B1a":"0.17125011","B1b":"0.1795324","B1c":"0.180758102","B1d":"0.143793377","B1e":"0.124422295","B1f":"1027.100827","B2a":"0.284966997","B2b":"0.183055544","B2c":"0.11591425","B2d":"0.120669639","B2e":"0.120972206","B2f":"4783.068227","B3a":"0.222985243","B3aa":"0.220889151","B3b":"0.288823216","B3bb":"0.298273562","B3c":"0.190140047","B3d":"38.32495388","B3e":"0.212160129","B3f":"0.120610287","B3g":"0.114252451","B3h":"0.211609578","B3i":"0.195472902","B3j":"1.268187996","B3k":"10.66072431","B3l":"1.542098278","B3m":"2.378769373","B3n":"124.8162553","B3o":"0.21941856","B3p":"3.634545734","B3q":"0.118340735","B3r":"82.45475562","B3s":"4.654334247","B3t":"0.355856602","B3u":"0.199519478","B3v":"0.145732501","B3w":"52.0376356","B3x":"41.67381644","B3y":"65.36249342","B3z":"0.477511821"},{"Metabolite":"Dimorphecolic acid ","A1a":"9.08705494","A1b":"6.480794596","A1c":"4.325398886","A1d":"16.47464934","A1e":"3.044076107","A1f":"571.3571351","A2a":"25.91825931","A2b":"3.231983396","A2c":"8.911980673","A2d":"5.035882466","A2e":"3.054202357","A2f":"5.612866779","A3a":"165.309477","A3b":"10.08842846","A3c":"1085.865582","A3d":"12.01623348","A3e":"60.13202388","A3f":"110.7679961","A3g":"2.934667091","A3h":"12.29292556","A3i":"270.7816316","A3j":"6.011996191","A3k":"5.763627918","A3l":"51.32756675","A3m":"7.125739279","A3n":"5.13275453","B1a":"8.103141339","B1b":"7.107782878","B1c":"5.614854002","B1d":"5.261455406","B1e":"7.26109229","B1f":"6.048043324","B2a":"6.149452704","B2b":"5.371931368","B2c":"4.623391231","B2d":"4.169849167","B2e":"4.06709042","B2f":"3.785335963","B3a":"5.581974414","B3aa":"5.745932474","B3b":"4.932259387","B3bb":"3.695514635","B3c":"6.676167896","B3d":"9.047435716","B3e":"23.31205896","B3f":"4.518233212","B3g":"9.975144596","B3h":"9.558850282","B3i":"6.274176915","B3j":"5.664583558","B3k":"10.18405487","B3l":"6.585402676","B3m":"7.225854262","B3n":"13.45208233","B3o":"28.24862488","B3p":"5.680977971","B3q":"5.135303504","B3r":"15.44205381","B3s":"4.362435245","B3t":"6.02373869","B3u":"12.67084357","B3v":"11.19206793","B3w":"8.368139667","B3x":"16.38588457","B3y":"4.669387666","B3z":"4.860791501"},{"Metabolite":"Ricinoleic acid","A1a":"18.445775","A1b":"3.653771943","A1c":"2.553785388","A1d":"2.519079892","A1e":"2.488865057","A1f":"8.044601425","A2a":"36.99554608","A2b":"3.040331452","A2c":"1.322803597","A2d":"1.252309865","A2e":"12.57229718","A2f":"2.884563163","A3a":"3.523837402","A3b":"1.893403599","A3c":"25.74013226","A3d":"45.10633599","A3e":"12.30994532","A3f":"4.404778957","A3g":"1.68575488","A3h":"6.406105276","A3i":"18.35875655","A3j":"4.301900056","A3k":"1.984069518","A3l":"16.01895522","A3m":"5.227184957","A3n":"2.465667423","B1a":"8.881385672","B1b":"3.757974213","B1c":"13.64151387","B1d":"1.341903754","B1e":"7.874633669","B1f":"7.511553504","B2a":"4.213907463","B2b":"4.963595524","B2c":"1.670732176","B2d":"0.781176929","B2e":"0.86697857","B2f":"1.377330379","B3a":"3.190357362","B3aa":"1.172101656","B3b":"3.517984889","B3bb":"2.675496104","B3c":"3.360134276","B3d":"2.978064484","B3e":"4.002365847","B3f":"4.682258285","B3g":"26.96125122","B3h":"7.855536105","B3i":"17.76735961","B3j":"7.62385766","B3k":"8.44309838","B3l":"11.0820713","B3m":"11.63832292","B3n":"12.11372784","B3o":"77.08898295","B3p":"8.075031814","B3q":"2.177351842","B3r":"32.83454034","B3s":"3.42849713","B3t":"19.9562339","B3u":"15.68023077","B3v":"146.7000922","B3w":"20.12746805","B3x":"81.94978285","B3y":"8.880631192","B3z":"1.869810713"},{"Metabolite":"Eicosapentaenoic acid","A1a":"65.27576651","A1b":"87.16651213","A1c":"42.89226784","A1d":"94.46107159","A1e":"37.6011208","A1f":"50.95149894","A2a":"34.57012504","A2b":"27.30984036","A2c":"52.47279384","A2d":"44.37379484","A2e":"29.1758882","A2f":"27.8174459","A3a":"22.80173651","A3b":"27.87535621","A3c":"37.51698627","A3d":"35.37385991","A3e":"35.28547948","A3f":"29.07148804","A3g":"30.95504013","A3h":"39.58742835","A3i":"17.48445533","A3j":"21.30793524","A3k":"32.59196576","A3l":"16.69757885","A3m":"16.96635587","A3n":"15.13217997","B1a":"43.23958541","B1b":"44.56561785","B1c":"42.961963","B1d":"40.08316299","B1e":"27.64099379","B1f":"46.55143069","B2a":"50.88493507","B2b":"42.97652555","B2c":"26.65143243","B2d":"27.42614363","B2e":"22.92276538","B2f":"24.30365544","B3a":"35.6938981","B3aa":"16.6482928","B3b":"41.05310406","B3bb":"19.8616145","B3c":"38.22573008","B3d":"20.61450268","B3e":"21.93871928","B3f":"18.15778196","B3g":"21.38403469","B3h":"37.09976854","B3i":"45.20944052","B3j":"21.16780481","B3k":"15.52954519","B3l":"24.57765518","B3m":"19.2468427","B3n":"28.84420911","B3o":"24.81777614","B3p":"16.48585176","B3q":"17.03162967","B3r":"40.37151794","B3s":"14.87540027","B3t":"14.67109848","B3u":"26.29588361","B3v":"21.67366424","B3w":"23.06922986","B3x":"39.25164057","B3y":"20.96303787","B3z":"18.24789412"},{"Metabolite":"Arachidonic acid","A1a":"14.51247727","A1b":"1.708625777","A1c":"0.90642802","A1d":"2.479915591","A1e":"0.835978958","A1f":"2.121177966","A2a":"0.767770921","A2b":"0.727544825","A2c":"0.27190643","A2d":"3.971094431","A2e":"0.696481738","A2f":"0.752648105","A3a":"6.773212513","A3b":"7.546114087","A3c":"6.818558732","A3d":"43.61987801","A3e":"2.785807178","A3f":"2.140947157","A3g":"1.498213658","A3h":"2.587016127","A3i":"1.409063803","A3j":"3.274642307","A3k":"1.295472157","A3l":"2.9708434","A3m":"1.490087575","A3n":"0.639420566","B1a":"2.828183557","B1b":"2.085824055","B1c":"1.745050267","B1d":"1.082519899","B1e":"0.98115078","B1f":"1.147238295","B2a":"3.352755017","B2b":"3.240536594","B2c":"1.094241652","B2d":"0.569596716","B2e":"0.263998481","B2f":"1.647853925","B3a":"2.303649816","B3aa":"1.074526691","B3b":"4.054020783","B3bb":"0.907301282","B3c":"1.511113289","B3d":"28.04876796","B3e":"22.30493232","B3f":"3.50664826","B3g":"6.48455154","B3h":"3.113735997","B3i":"4.26618583","B3j":"0.557829302","B3k":"2.330267376","B3l":"1.04827173","B3m":"1.679503921","B3n":"3.821332539","B3o":"2.141738565","B3p":"5.488328525","B3q":"0.968745638","B3r":"4.416338228","B3s":"1.950903167","B3t":"2.888550962","B3u":"1.208327004","B3v":"10.4686003","B3w":"12.6588237","B3x":"12.38530545","B3y":"1.627174359","B3z":"1.092363444"},{"Metabolite":"N-Acetylneuraminic acid","A1a":"645.5105078","A1b":"243.274664","A1c":"477.8453323","A1d":"473.3547385","A1e":"382.3001714","A1f":"1165.351009","A2a":"30.56768264","A2b":"26.53457961","A2c":"189.8321645","A2d":"343.3183427","A2e":"184.5807153","A2f":"201.8342249","A3a":"364.4034498","A3b":"77.85782015","A3c":"1508.218425","A3d":"631.0067147","A3e":"523.783842","A3f":"523.6700461","A3g":"144.4192889","A3h":"327.3432087","A3i":"161.2675075","A3j":"146.1157197","A3k":"223.806208","A3l":"295.2172625","A3m":"350.8151549","A3n":"451.0426384","B1a":"576.4572762","B1b":"622.4822636","B1c":"399.5288723","B1d":"239.263078","B1e":"309.6408519","B1f":"307.8932234","B2a":"510.8757947","B2b":"94.07982278","B2c":"16.37368755","B2d":"33.68627284","B2e":"20.19284055","B2f":"11.90079964","B3a":"52.8972769","B3aa":"418.694282","B3b":"58.86350144","B3bb":"350.9978909","B3c":"63.43763455","B3d":"65.87457247","B3e":"100.3040006","B3f":"569.8156252","B3g":"430.7689308","B3h":"421.3996797","B3i":"741.8694732","B3j":"215.8368923","B3k":"426.6986569","B3l":"538.1515818","B3m":"688.1078164","B3n":"593.0405019","B3o":"338.2423095","B3p":"167.8108889","B3q":"400.7537122","B3r":"1987.569736","B3s":"125.5349414","B3t":"214.588547","B3u":"352.2966639","B3v":"1591.530876","B3w":"1771.800987","B3x":"916.1833685","B3y":"321.556202","B3z":"317.2465455"},{"Metabolite":"Phenylalanylphenylalanine","A1a":"44.92597947","A1b":"9.614946099","A1c":"14.04706452","A1d":"37.61600076","A1e":"13.51609068","A1f":"36.29416902","A2a":"4.797936256","A2b":"6.652998371","A2c":"8.099296064","A2d":"21.46766071","A2e":"4.167021954","A2f":"19.37616058","A3a":"39.42729534","A3b":"26.08576514","A3c":"97.35508195","A3d":"66.82516251","A3e":"138.3732001","A3f":"54.57257951","A3g":"5.108655625","A3h":"51.41110418","A3i":"58.84869806","A3j":"34.03170566","A3k":"5.487999977","A3l":"5.224693948","A3m":"28.124183","A3n":"12.50492344","B1a":"3.018758759","B1b":"5.040971041","B1c":"3.499332845","B1d":"4.863778871","B1e":"12.90358586","B1f":"6.322958912","B2a":"5.098916522","B2b":"50.46710731","B2c":"0.825397558","B2d":"0.846197735","B2e":"1.548908321","B2f":"0.854380786","B3a":"12.79425728","B3aa":"32.65271289","B3b":"16.71824688","B3bb":"18.86695096","B3c":"15.92646778","B3d":"65.44456445","B3e":"80.78594241","B3f":"24.03207552","B3g":"63.28041152","B3h":"15.7360728","B3i":"42.35876069","B3j":"20.98453367","B3k":"22.33230185","B3l":"25.27495141","B3m":"40.45121195","B3n":"31.75289226","B3o":"50.12202327","B3p":"88.90877348","B3q":"40.48848731","B3r":"12.63474593","B3s":"48.88802962","B3t":"14.45090855","B3u":"13.66260909","B3v":"239.2207781","B3w":"4.144992802","B3x":"26.81307873","B3y":"32.46657426","B3z":"29.33709493"},{"Metabolite":"12-HETE","A1a":"6.624537853","A1b":"2.456628255","A1c":"1.469587812","A1d":"2.49628059","A1e":"1.211302316","A1f":"1.755902079","A2a":"1.737316741","A2b":"1.860814363","A2c":"1.435281631","A2d":"1.949553474","A2e":"1.342640043","A2f":"0.828590953","A3a":"2.767229408","A3b":"1.079391461","A3c":"4.074578347","A3d":"19.31561147","A3e":"3.018263003","A3f":"1.406209162","A3g":"1.496110941","A3h":"2.543050085","A3i":"3.034256888","A3j":"2.926146556","A3k":"1.47391422","A3l":"2.682705339","A3m":"1.675546986","A3n":"1.155477725","B1a":"11.04159855","B1b":"2.244783805","B1c":"2.665313176","B1d":"1.574341224","B1e":"1.927751833","B1f":"2.360668893","B2a":"0.966451383","B2b":"1.998697227","B2c":"1.054404662","B2d":"0.719755765","B2e":"1.124543066","B2f":"1.037372191","B3a":"1.883831305","B3aa":"1.306608883","B3b":"2.205305334","B3bb":"1.290518813","B3c":"1.916918564","B3d":"2.3095729","B3e":"2.571904845","B3f":"1.2872122","B3g":"15.46116635","B3h":"2.369423863","B3i":"3.601963731","B3j":"1.078392039","B3k":"2.689828585","B3l":"3.121586846","B3m":"1.940709647","B3n":"6.879075317","B3o":"3.465488255","B3p":"3.271937666","B3q":"1.179136325","B3r":"75.83574997","B3s":"1.367037734","B3t":"3.240582533","B3u":"5.541683264","B3v":"26.13438777","B3w":"64.82063956","B3x":"20.43381942","B3y":"1.290579356","B3z":"1.30317201"},{"Metabolite":"Maltose","A1a":"27.08540019","A1b":"2.715764347","A1c":"17.5140029","A1d":"2050.040518","A1e":"33.6066986","A1f":"10.16791075","A2a":"6.336801792","A2b":"1.785914736","A2c":"16.69256461","A2d":"6.266433972","A2e":"4.858957207","A2f":"5.051825148","A3a":"35.34839059","A3b":"64.39601569","A3c":"15.20896765","A3d":"22.36341392","A3e":"31.71614691","A3f":"14.9757285","A3g":"24.95086194","A3h":"1462.242599","A3i":"6.655413366","A3j":"4.22552138","A3k":"13.23260471","A3l":"1.817614637","A3m":"2.793583666","A3n":"2.129511495","B1a":"36.18297237","B1b":"24.4585656","B1c":"199.3502024","B1d":"3.671471882","B1e":"47.33488321","B1f":"43.43357806","B2a":"55.92995519","B2b":"42.42061529","B2c":"8.496056133","B2d":"6.279286269","B2e":"60.07673499","B2f":"18.43768676","B3a":"48.60941471","B3aa":"1.985574816","B3b":"46.96632891","B3bb":"7.805284104","B3c":"56.19461832","B3d":"68.64713777","B3e":"10.5508742","B3f":"5.413785717","B3g":"5.961285304","B3h":"33.01343754","B3i":"37.26354948","B3j":"3.666655539","B3k":"5.448863509","B3l":"1.902920099","B3m":"5.732406361","B3n":"12.83001477","B3o":"2.577705555","B3p":"7.056919161","B3q":"3.790550327","B3r":"12.64448091","B3s":"8.076614974","B3t":"3.323470786","B3u":"23.2087833","B3v":"12.88492485","B3w":"4.867010174","B3x":"8.316362951","B3y":"8.477368422","B3z":"1.828647961"},{"Metabolite":"3'-AMP","A1a":"61.47980348","A1b":"40.70406006","A1c":"53.92446883","A1d":"24.59946561","A1e":"56.50835162","A1f":"89.43357578","A2a":"3.284259217","A2b":"1.893234793","A2c":"21.52129447","A2d":"44.37038101","A2e":"32.74741871","A2f":"17.28083417","A3a":"40.03681021","A3b":"3.312530235","A3c":"203.9888418","A3d":"51.00079655","A3e":"77.02076303","A3f":"62.81790623","A3g":"16.1809777","A3h":"22.66719436","A3i":"24.5942935","A3j":"23.15636813","A3k":"10.21342513","A3l":"23.56327895","A3m":"58.28752826","A3n":"54.6714307","B1a":"72.3753801","B1b":"76.14674361","B1c":"38.25026178","B1d":"26.68896487","B1e":"30.82208006","B1f":"18.33980547","B2a":"41.01818997","B2b":"16.83730841","B2c":"0.740599771","B2d":"2.403595543","B2e":"1.843138165","B2f":"1.520958082","B3a":"5.926935285","B3aa":"52.83121086","B3b":"8.575825675","B3bb":"55.46910518","B3c":"6.465572429","B3d":"7.478665956","B3e":"14.08022773","B3f":"82.73860332","B3g":"49.68001077","B3h":"65.70622548","B3i":"179.0786512","B3j":"18.76387101","B3k":"78.08244124","B3l":"50.38361401","B3m":"88.89708852","B3n":"36.94160811","B3o":"36.61667576","B3p":"13.45057895","B3q":"51.81162954","B3r":"234.7125475","B3s":"14.53286707","B3t":"32.383616","B3u":"35.08117309","B3v":"150.0574154","B3w":"157.9742136","B3x":"95.27262867","B3y":"43.41509677","B3z":"47.45043352"},{"Metabolite":"Chlorogenic acid","A1a":"2.295779908","A1b":"3.730259719","A1c":"1.341396405","A1d":"177.6122654","A1e":"1.15700322","A1f":"1.771991278","A2a":"1.853193504","A2b":"1.359185647","A2c":"1.682340509","A2d":"1.363067638","A2e":"96.50230849","A2f":"1.339908136","A3a":"47.88918392","A3b":"6.336700247","A3c":"1.922830973","A3d":"1.732227591","A3e":"1.281130133","A3f":"0.969648415","A3g":"1.13268139","A3h":"128.3190002","A3i":"0.606689763","A3j":"3.108194831","A3k":"1.821215418","A3l":"0.996850493","A3m":"9.275431113","A3n":"0.693702168","B1a":"1.987199451","B1b":"2.074718559","B1c":"272.1669641","B1d":"2.084932522","B1e":"1.077324625","B1f":"1.798845587","B2a":"17.04105344","B2b":"2.260116168","B2c":"1.440781918","B2d":"1.041696614","B2e":"0.979107309","B2f":"0.890201238","B3a":"1.423125997","B3aa":"0.721035907","B3b":"1.993681903","B3bb":"0.817318037","B3c":"1.276080579","B3d":"1.757053085","B3e":"1.234266665","B3f":"0.563126533","B3g":"0.741692411","B3h":"1.764407222","B3i":"0.571710736","B3j":"0.870842387","B3k":"0.49757592","B3l":"0.610327175","B3m":"0.635330924","B3n":"0.537851099","B3o":"0.266487484","B3p":"0.205874845","B3q":"0.285712271","B3r":"1.033664888","B3s":"0.270541174","B3t":"0.216424399","B3u":"1.563731991","B3v":"0.362647744","B3w":"0.532262567","B3x":"2.286128549","B3y":"0.294052159","B3z":"0.27039846"},{"Metabolite":"N-Oleoyl GABA","A1a":"313.0674634","A1b":"517.1767375","A1c":"155.6140173","A1d":"312.2093366","A1e":"158.5002262","A1f":"367.8232032","A2a":"1184.80459","A2b":"1091.742125","A2c":"1365.063106","A2d":"45.74434282","A2e":"1143.681842","A2f":"1080.470444","A3a":"129.390237","A3b":"15.6836436","A3c":"176.6398417","A3d":"91.91248137","A3e":"91.54780412","A3f":"37.18641964","A3g":"6.760931621","A3h":"53.29585295","A3i":"28.34584156","A3j":"76.87524284","A3k":"20.05097346","A3l":"180.3283468","A3m":"10.51053333","A3n":"4.75192883","B1a":"57.57904672","B1b":"701.6152905","B1c":"75.48881186","B1d":"34.97055745","B1e":"96.05147334","B1f":"60.18527271","B2a":"99.82143306","B2b":"55.17282154","B2c":"35.63920452","B2d":"35.72704011","B2e":"34.37964519","B2f":"30.0257323","B3a":"26.35296164","B3aa":"5.9483906","B3b":"25.3351967","B3bb":"10.16930927","B3c":"12.72986555","B3d":"114.2740595","B3e":"255.0405731","B3f":"36.95411526","B3g":"42.52934425","B3h":"6.892977187","B3i":"91.62093532","B3j":"77.45910427","B3k":"27.19330904","B3l":"4.800646903","B3m":"43.14667036","B3n":"39.88540389","B3o":"35.23213013","B3p":"60.02166225","B3q":"42.82245463","B3r":"13.27550377","B3s":"39.39632418","B3t":"100.4467273","B3u":"11.90677949","B3v":"15.20292633","B3w":"155.505889","B3x":"43.36584577","B3y":"46.58442459","B3z":"120.6483824"},{"Metabolite":"N-Stearoyl GABA","A1a":"222.3584656","A1b":"293.4367157","A1c":"123.0811494","A1d":"194.0845381","A1e":"147.1014238","A1f":"252.5959901","A2a":"1043.484603","A2b":"826.024903","A2c":"1143.432986","A2d":"33.18843643","A2e":"945.5366261","A2f":"729.4219741","A3a":"105.2919231","A3b":"4.25889054","A3c":"99.43172695","A3d":"50.57575687","A3e":"51.91331183","A3f":"25.34617907","A3g":"2.146641","A3h":"43.67977349","A3i":"11.52060009","A3j":"33.50892738","A3k":"6.575927785","A3l":"143.2294877","A3m":"3.142255171","A3n":"1.884476752","B1a":"28.81897983","B1b":"577.8622237","B1c":"41.40166911","B1d":"19.17852336","B1e":"75.73242001","B1f":"22.50676624","B2a":"39.26704835","B2b":"23.26117858","B2c":"15.86746737","B2d":"12.18719978","B2e":"18.31405432","B2f":"11.61965938","B3a":"9.052528815","B3aa":"2.967744583","B3b":"10.24973609","B3bb":"4.524980522","B3c":"4.939248293","B3d":"108.663969","B3e":"190.9205839","B3f":"21.36732518","B3g":"29.67460867","B3h":"5.030727178","B3i":"59.64032772","B3j":"47.40777808","B3k":"19.70380559","B3l":"1.980214751","B3m":"24.14311508","B3n":"15.44676336","B3o":"16.51951006","B3p":"42.32899536","B3q":"39.07953411","B3r":"4.935820371","B3s":"26.83474357","B3t":"78.08575993","B3u":"6.793424938","B3v":"7.068820381","B3w":"63.74742877","B3x":"17.26406203","B3y":"29.11759396","B3z":"92.08427401"},{"Metabolite":"Dioctyldiphenylamine","A1a":"0.164171327","A1b":"0.179106265","A1c":"0.1227508","A1d":"0.208273786","A1e":"23.85984938","A1f":"1.100073018","A2a":"0.118992976","A2b":"0.122162042","A2c":"0.129558135","A2d":"0.118103822","A2e":"0.13261304","A2f":"0.583305559","A3a":"0.1027965","A3b":"0.118643642","A3c":"0.176460958","A3d":"0.169017022","A3e":"0.169861992","A3f":"0.134999598","A3g":"0.139861761","A3h":"0.201221998","A3i":"0.093768531","A3j":"0.101679621","A3k":"0.171673821","A3l":"0.108844174","A3m":"0.097556194","A3n":"0.089844418","B1a":"0.179832041","B1b":"0.198155918","B1c":"0.188843136","B1d":"0.137553898","B1e":"0.110192076","B1f":"0.18248341","B2a":"0.203710752","B2b":"0.155384583","B2c":"0.106190196","B2d":"0.105104935","B2e":"0.114634721","B2f":"0.102809243","B3a":"0.233843812","B3aa":"0.127907415","B3b":"0.219389918","B3bb":"0.16271958","B3c":"0.199201543","B3d":"0.478803351","B3e":"0.120433376","B3f":"0.109327906","B3g":"0.112289665","B3h":"0.213626403","B3i":"0.210448727","B3j":"0.117099228","B3k":"0.099866876","B3l":"0.124211845","B3m":"1.505991511","B3n":"0.567222256","B3o":"3.979917509","B3p":"52.45701969","B3q":"1.056738583","B3r":"0.203253982","B3s":"12.15715543","B3t":"0.110642348","B3u":"0.203878834","B3v":"0.149844536","B3w":"0.18548195","B3x":"0.186752134","B3y":"0.132213865","B3z":"0.106689044"},{"Metabolite":"LysoPA(0:0/16:0)","A1a":"0.20617918","A1b":"0.252607811","A1c":"0.152714702","A1d":"0.282527917","A1e":"0.1506227","A1f":"0.215004996","A2a":"0.116521537","A2b":"0.139975015","A2c":"0.167095724","A2d":"0.142482926","A2e":"0.137827413","A2f":"0.133509648","A3a":"4.919434479","A3b":"0.150041302","A3c":"9.90214918","A3d":"0.212870325","A3e":"3.643246582","A3f":"22.15719972","A3g":"0.161294803","A3h":"0.245293284","A3i":"0.121021572","A3j":"0.128757388","A3k":"0.221150429","A3l":"0.129837852","A3m":"0.121037739","A3n":"0.109688761","B1a":"0.216334552","B1b":"0.22407758","B1c":"0.229418869","B1d":"0.165437933","B1e":"0.146819302","B1f":"0.229960703","B2a":"0.262688034","B2b":"0.208069737","B2c":"0.135594431","B2d":"0.128363275","B2e":"0.132743097","B2f":"0.124920505","B3a":"0.261455133","B3aa":"0.160087491","B3b":"0.264775324","B3bb":"0.181954737","B3c":"0.245945072","B3d":"0.172753728","B3e":"0.145971425","B3f":"0.130909051","B3g":"0.135346951","B3h":"0.255236223","B3i":"0.230057439","B3j":"0.14322224","B3k":"0.124701416","B3l":"0.149197759","B3m":"0.139672234","B3n":"0.225340609","B3o":"0.158645845","B3p":"0.112507446","B3q":"0.147119856","B3r":"0.237042324","B3s":"0.117099401","B3t":"0.131282003","B3u":"0.246830816","B3v":"0.179052006","B3w":"0.212304546","B3x":"0.236531442","B3y":"0.16458818","B3z":"0.13898022"},{"Metabolite":"LysoPC(14:0/0:0)","A1a":"36.80354459","A1b":"39.47053833","A1c":"25.07054126","A1d":"40.51610712","A1e":"24.57537685","A1f":"37.00464023","A2a":"16.59003595","A2b":"21.92683227","A2c":"26.76790381","A2d":"24.85824921","A2e":"21.70011261","A2f":"18.78561681","A3a":"21.63915318","A3b":"23.8421464","A3c":"36.0497791","A3d":"32.18346965","A3e":"31.93389942","A3f":"26.24766846","A3g":"25.14407353","A3h":"43.27542844","A3i":"18.40266786","A3j":"20.7717898","A3k":"33.22280192","A3l":"20.69469088","A3m":"19.63349977","A3n":"15.80479906","B1a":"34.01599562","B1b":"32.6822422","B1c":"38.88747197","B1d":"28.76165757","B1e":"22.1624001","B1f":"38.08815379","B2a":"40.52067551","B2b":"33.93080042","B2c":"21.58351946","B2d":"19.07554493","B2e":"23.03891175","B2f":"21.20240579","B3a":"45.3627569","B3aa":"26.34987602","B3b":"42.85134377","B3bb":"32.99894403","B3c":"38.32585947","B3d":"35.01561306","B3e":"25.97658286","B3f":"21.14250586","B3g":"23.48684135","B3h":"41.10976739","B3i":"35.74658978","B3j":"21.98200099","B3k":"17.8803027","B3l":"23.23859025","B3m":"23.1622234","B3n":"35.67465856","B3o":"22.86068219","B3p":"24.72091785","B3q":"19.91010768","B3r":"36.69217853","B3s":"17.98126768","B3t":"19.91867429","B3u":"35.87480923","B3v":"26.72968883","B3w":"39.5853959","B3x":"35.66822359","B3y":"24.51468056","B3z":"19.16094542"},{"Metabolite":"LysoPE(18:2(9Z,12Z)/0:0)","A1a":"2.08605768","A1b":"2.16186091","A1c":"2.323684692","A1d":"3.245052425","A1e":"6.79086957","A1f":"2.508371984","A2a":"1.652502919","A2b":"1.038391927","A2c":"1.071799013","A2d":"1.413914409","A2e":"0.876195598","A2f":"1.291368937","A3a":"2.137107665","A3b":"0.946546051","A3c":"1.394991908","A3d":"3.738103643","A3e":"2.985757422","A3f":"14.9961688","A3g":"1.167740736","A3h":"3.301477084","A3i":"1.197761149","A3j":"1.03284218","A3k":"1.111407779","A3l":"9.887775351","A3m":"0.723546685","A3n":"1.724105807","B1a":"2.058540799","B1b":"1.106438394","B1c":"2.335282231","B1d":"0.829784143","B1e":"1.982210075","B1f":"3.830512519","B2a":"2.758151611","B2b":"2.010418635","B2c":"0.977027368","B2d":"1.270158909","B2e":"3.559807334","B2f":"1.089302019","B3a":"1.367864673","B3aa":"1.888059234","B3b":"2.644967663","B3bb":"2.437869914","B3c":"1.741564637","B3d":"2.616220167","B3e":"4.916321402","B3f":"2.353081775","B3g":"3.315668234","B3h":"2.077631664","B3i":"2.378111515","B3j":"3.06352284","B3k":"1.907979532","B3l":"0.836735602","B3m":"2.071032494","B3n":"4.307595602","B3o":"14.28137928","B3p":"58.90812668","B3q":"1.565803667","B3r":"10.9408802","B3s":"17.57829817","B3t":"2.656867162","B3u":"1.982091527","B3v":"3.339747802","B3w":"3.558587453","B3x":"3.44428367","B3y":"2.21185256","B3z":"0.659597163"},{"Metabolite":"LysoPE(0:0/18:1(11Z))","A1a":"5.684523552","A1b":"5.569558411","A1c":"1.593374032","A1d":"5.161444775","A1e":"1.618694454","A1f":"4.147613262","A2a":"1.603846903","A2b":"0.682621937","A2c":"1.134288648","A2d":"6.536299799","A2e":"3.993255883","A2f":"1.332775914","A3a":"5.232320144","A3b":"1.882943395","A3c":"20.14771194","A3d":"41.36247913","A3e":"27.02218652","A3f":"59.53747681","A3g":"2.529496868","A3h":"17.18284698","A3i":"6.426099038","A3j":"13.96320144","A3k":"1.683411092","A3l":"28.18933068","A3m":"2.634990882","A3n":"3.271592828","B1a":"1.879472283","B1b":"1.815388778","B1c":"3.490298878","B1d":"2.476177291","B1e":"2.568800645","B1f":"3.016057655","B2a":"2.111204504","B2b":"1.441078014","B2c":"0.814117192","B2d":"0.808263752","B2e":"4.758964012","B2f":"0.677527996","B3a":"2.079334019","B3aa":"2.154983573","B3b":"1.168693661","B3bb":"3.147836731","B3c":"1.728763054","B3d":"13.05823568","B3e":"38.99815602","B3f":"6.99401264","B3g":"34.73843455","B3h":"3.180637402","B3i":"9.644308506","B3j":"6.603876089","B3k":"3.113765774","B3l":"3.355467919","B3m":"32.03205595","B3n":"48.21214278","B3o":"28.12622785","B3p":"38.56466113","B3q":"5.975147782","B3r":"52.0802987","B3s":"16.00141138","B3t":"10.99808088","B3u":"3.830714993","B3v":"16.20714878","B3w":"42.63312666","B3x":"7.948043925","B3y":"7.165368675","B3z":"2.646062373"},{"Metabolite":"LysoPC(18:0/0:0)","A1a":"9.383939884","A1b":"0.954417179","A1c":"0.814449898","A1d":"1.500684669","A1e":"0.374017932","A1f":"0.99539933","A2a":"0.255958599","A2b":"0.373570132","A2c":"0.831757149","A2d":"3.021697472","A2e":"0.747672274","A2f":"0.294445241","A3a":"9.069599713","A3b":"0.659408477","A3c":"13.85511603","A3d":"59.46139695","A3e":"9.942791246","A3f":"1.935488086","A3g":"0.368092413","A3h":"5.438612504","A3i":"0.784779399","A3j":"4.44193201","A3k":"0.732825693","A3l":"6.3845443","A3m":"2.538167128","A3n":"0.281103005","B1a":"0.545433243","B1b":"0.512415848","B1c":"0.642023965","B1d":"0.933059041","B1e":"0.633011059","B1f":"0.777698732","B2a":"0.782939761","B2b":"0.510826102","B2c":"0.516107433","B2d":"0.386263257","B2e":"0.371087826","B2f":"0.387085313","B3a":"0.579440246","B3aa":"0.515012195","B3b":"0.660595964","B3bb":"0.474634509","B3c":"0.507906667","B3d":"33.31865616","B3e":"32.150333","B3f":"5.095799535","B3g":"5.147863801","B3h":"0.717582935","B3i":"3.25738515","B3j":"0.65654186","B3k":"0.892476512","B3l":"0.658276647","B3m":"3.534147037","B3n":"27.44753537","B3o":"4.738283236","B3p":"14.77264048","B3q":"0.824258098","B3r":"10.66742879","B3s":"1.56832801","B3t":"0.763241307","B3u":"1.114104625","B3v":"52.65962752","B3w":"20.92569032","B3x":"1.462209581","B3y":"2.163361554","B3z":"0.37044916"}],

"Metabolites":[{"Metabolite":"Acrylic acid","m/z":"73.02919","RT [min]":"0.803","Molecular Weight":"72.02182","HMDB ID":"HMDB0031647","":"","Formula":"C3H4O2","Monoisotopic_Mass":"72.02112937","Delta(ppm)":"10"},{"Metabolite":"N,N-Dimethylformamide","m/z":"74.06087","RT [min]":"0.945","Molecular Weight":"73.05359","HMDB ID":"HMDB0001888","":"","Formula":"C3H7NO","Monoisotopic_Mass":"73.05276385","Delta(ppm)":"11"},{"Metabolite":"Glycolic acid","m/z":"77.02132","RT [min]":"0.686","Molecular Weight":"76.01399","HMDB ID":"HMDB0000115","":"","Formula":"C2H4O3","Monoisotopic_Mass":"76.01604399","Delta(ppm)":"27"},{"Metabolite":"Orotic acid","m/z":"79.01865","RT [min]":"0.692","Molecular Weight":"156.02274","HMDB ID":"HMDB0000226","":"","Formula":"C5H4N2O4","Monoisotopic_Mass":"156.0171066","Delta(ppm)":"36"},{"Metabolite":"Piperidine","m/z":"86.09708","RT [min]":"0.698","Molecular Weight":"85.08968","HMDB ID":"HMDB0034301","":"","Formula":"C5H11N","Monoisotopic_Mass":"85.08914936","Delta(ppm)":"6"},{"Metabolite":"Ethyl acetate","m/z":"89.06036","RT [min]":"5.327","Molecular Weight":"88.05308","HMDB ID":"HMDB0031217","":"","Formula":"C4H8O2","Monoisotopic_Mass":"88.0524295","Delta(ppm)":"2"},{"Metabolite":"L-Alanine","m/z":"90.0556","RT [min]":"0.785","Molecular Weight":"89.04803","HMDB ID":"HMDB0000161","":"","Formula":"C3H7NO2","Monoisotopic_Mass":"89.04767847","Delta(ppm)":"4"},{"Metabolite":"Glycerol","m/z":"93.05521","RT [min]":"0.852","Molecular Weight":"92.04799","HMDB ID":"HMDB0000131","":"","Formula":"C3H8O3","Monoisotopic_Mass":"92.04734412","Delta(ppm)":"7"},{"Metabolite":"2-Methylpyridine","m/z":"94.06571","RT [min]":"0.818","Molecular Weight":"93.05843","HMDB ID":"HMDB0061888","":"","Formula":"C6H7N","Monoisotopic_Mass":"93.05784923","Delta(ppm)":"6"},{"Metabolite":"Phosphate","m/z":"98.98478","RT [min]":"0.833","Molecular Weight":"97.97748","HMDB ID":"HMDB0001429","":"","Formula":"H3O4P","Monoisotopic_Mass":"97.9768951","Delta(ppm)":"6"},{"Metabolite":"2-Piperidinone","m/z":"100.07629","RT [min]":"2.419","Molecular Weight":"99.06895","HMDB ID":"HMDB0011749","":"","Formula":"C5H9NO","Monoisotopic_Mass":"99.06841392","Delta(ppm)":"5"},{"Metabolite":"2-Ketobutyric acid","m/z":"103.03951","RT [min]":"0.825","Molecular Weight":"102.03184","HMDB ID":"HMDB0000005","":"","Formula":"C4H6O3","Monoisotopic_Mass":"102.0316941","Delta(ppm)":"1"},{"Metabolite":"Cadaverine","m/z":"103.12344","RT [min]":"0.67","Molecular Weight":"102.11617","HMDB ID":"HMDB0002322","":"","Formula":"C5H14N2","Monoisotopic_Mass":"102.1156985","Delta(ppm)":"5"},{"Metabolite":"Dimethylglycine","m/z":"104.07111","RT [min]":"0.832","Molecular Weight":"103.06376","HMDB ID":"HMDB0000092","":"","Formula":"C4H9NO2","Monoisotopic_Mass":"103.0633285","Delta(ppm)":"4"},{"Metabolite":"Styrene","m/z":"105.07046","RT [min]":"3.02","Molecular Weight":"104.0631","HMDB ID":"HMDB0034240","":"","Formula":"C8H8","Monoisotopic_Mass":"104.0626003","Delta(ppm)":"5"},{"Metabolite":"L-Serine","m/z":"106.05035","RT [min]":"0.794","Molecular Weight":"105.04281","HMDB ID":"HMDB0000187","":"","Formula":"C3H7NO3","Monoisotopic_Mass":"105.0425931","Delta(ppm)":"2"},{"Metabolite":"Glyceric acid","m/z":"107.03158","RT [min]":"0.922","Molecular Weight":"106.02431","HMDB ID":"HMDB0000139","":"","Formula":"C3H6O4","Monoisotopic_Mass":"106.0266087","Delta(ppm)":"22"},{"Metabolite":"Benzaldehyde","m/z":"107.04964","RT [min]":"1.665","Molecular Weight":"106.04231","HMDB ID":"HMDB0006115","":"","Formula":"C7H6O","Monoisotopic_Mass":"106.0418648","Delta(ppm)":"4"},{"Metabolite":"Trihydroxybutane","m/z":"107.07073","RT [min]":"5.33","Molecular Weight":"106.06346","HMDB ID":"HMDB0061944","":"","Formula":"C4H10O3","Monoisotopic_Mass":"106.0629942","Delta(ppm)":"4"},{"Metabolite":"p-Cresol","m/z":"109.06533","RT [min]":"8.274","Molecular Weight":"108.05805","HMDB ID":"HMDB0001858","":"","Formula":"C7H8O","Monoisotopic_Mass":"108.0575149","Delta(ppm)":"5"},{"Metabolite":"Cytosine","m/z":"112.05106","RT [min]":"0.885","Molecular Weight":"111.04379","HMDB ID":"HMDB0000630","":"","Formula":"C4H5N3O","Monoisotopic_Mass":"111.0432618","Delta(ppm)":"5"},{"Metabolite":"Histamine","m/z":"112.08732","RT [min]":"14.512","Molecular Weight":"111.08004","HMDB ID":"HMDB0000870","":"","Formula":"C5H9N3","Monoisotopic_Mass":"111.0796473","Delta(ppm)":"4"},{"Metabolite":"Uracil","m/z":"113.03502","RT [min]":"1.218","Molecular Weight":"112.02773","HMDB ID":"HMDB0000300","":"","Formula":"C4H4N2O2","Monoisotopic_Mass":"112.0272774","Delta(ppm)":"4"},{"Metabolite":"Creatinine","m/z":"114.06669","RT [min]":"0.837","Molecular Weight":"113.05939","HMDB ID":"HMDB0000562","":"","Formula":"C4H7N3O","Monoisotopic_Mass":"113.0589119","Delta(ppm)":"4"},{"Metabolite":"Dihydrouracil","m/z":"115.05059","RT [min]":"1.251","Molecular Weight":"114.04315","HMDB ID":"HMDB0000076","":"","Formula":"C4H6N2O2","Monoisotopic_Mass":"114.0429274","Delta(ppm)":"2"},{"Metabolite":"L-Proline","m/z":"116.07101","RT [min]":"0.838","Molecular Weight":"115.06377","HMDB ID":"HMDB0000162","":"","Formula":"C5H9NO2","Monoisotopic_Mass":"115.0633285","Delta(ppm)":"4"},{"Metabolite":"Methyl acetate","m/z":"116.07109","RT [min]":"0.836","Molecular Weight":"74.03722","HMDB ID":"HMDB0031523","":"","Formula":"C3H6O2","Monoisotopic_Mass":"74.03677944","Delta(ppm)":"6"},{"Metabolite":"Levulinic acid","m/z":"117.05498","RT [min]":"0.824","Molecular Weight":"116.0477","HMDB ID":"HMDB0000720","":"","Formula":"C5H8O3","Monoisotopic_Mass":"116.0473441","Delta(ppm)":"3"},{"Metabolite":"Acetylglycine ","m/z":"118.05021","RT [min]":"1.194","Molecular Weight":"117.04293","HMDB ID":"HMDB0000532","":"","Formula":"C4H7NO3","Monoisotopic_Mass":"117.0425931","Delta(ppm)":"3"},{"Metabolite":"Indole","m/z":"118.06551","RT [min]":"3.252","Molecular Weight":"117.05819","HMDB ID":"HMDB0000738","":"","Formula":"C8H7N","Monoisotopic_Mass":"117.0578492","Delta(ppm)":"3"},{"Metabolite":"L-Valine","m/z":"118.0866","RT [min]":"0.851","Molecular Weight":"117.07931","HMDB ID":"HMDB0000883","":"","Formula":"C5H11NO2","Monoisotopic_Mass":"117.0789786","Delta(ppm)":"3"},{"Metabolite":"Succinic acid","m/z":"119.03118","RT [min]":"0.691","Molecular Weight":"118.0239","HMDB ID":"HMDB0000254","":"","Formula":"C4H6O4","Monoisotopic_Mass":"118.0266087","Delta(ppm)":"23"},{"Metabolite":"alpha-Methylstyrene","m/z":"119.0859","RT [min]":"7.18","Molecular Weight":"118.07861","HMDB ID":"HMDB0059899","":"","Formula":"C9H10","Monoisotopic_Mass":"118.0782503","Delta(ppm)":"2"},{"Metabolite":"Homoserine","m/z":"120.06583","RT [min]":"0.804","Molecular Weight":"119.05861","HMDB ID":"HMDB0000719","":"","Formula":"C4H9NO3","Monoisotopic_Mass":"119.0582432","Delta(ppm)":"3"},{"Metabolite":"Acetophenone ","m/z":"121.0652","RT [min]":"1.401","Molecular Weight":"120.05782","HMDB ID":"HMDB0033910","":"","Formula":"C8H8O","Monoisotopic_Mass":"120.0575149","Delta(ppm)":"3"},{"Metabolite":"Benzamide","m/z":"122.05837","RT [min]":"0.696","Molecular Weight":"121.05094","HMDB ID":"HMDB0004461","":"","Formula":"C7H7NO","Monoisotopic_Mass":"121.0527639","Delta(ppm)":"15"},{"Metabolite":"Cytidine","m/z":"122.54739","RT [min]":"14.543","Molecular Weight":"243.08029","HMDB ID":"HMDB0000089","":"","Formula":"C9H13N3O5","Monoisotopic_Mass":"243.0855205","Delta(ppm)":"22"},{"Metabolite":"Uridine","m/z":"123.0406","RT [min]":"0.685","Molecular Weight":"244.06672","HMDB ID":"HMDB0000296","":"","Formula":"C9H12N2O6","Monoisotopic_Mass":"244.0695361","Delta(ppm)":"12"},{"Metabolite":"Benzoic acid","m/z":"123.04064","RT [min]":"0.67","Molecular Weight":"122.03337","HMDB ID":"HMDB0001870","":"","Formula":"C7H6O2","Monoisotopic_Mass":"122.0367794","Delta(ppm)":"28"},{"Metabolite":"Biotin","m/z":"123.04897","RT [min]":"14.545","Molecular Weight":"244.08356","HMDB ID":"HMDB0000030","":"","Formula":"C10H16N2O3S","Monoisotopic_Mass":"244.0881631","Delta(ppm)":"19"},{"Metabolite":"Nicotinic acid","m/z":"124.03956","RT [min]":"0.96","Molecular Weight":"123.03233","HMDB ID":"HMDB0001488","":"","Formula":"C6H5NO2","Monoisotopic_Mass":"123.0320284","Delta(ppm)":"2"},{"Metabolite":"Dichloromethane","m/z":"125.98647","RT [min]":"0.659","Molecular Weight":"83.95272","HMDB ID":"HMDB0031548","":"","Formula":"CH2Cl2","Monoisotopic_Mass":"83.95335548","Delta(ppm)":"3"},{"Metabolite":"Taurine","m/z":"126.02216","RT [min]":"0.812","Molecular Weight":"125.01492","HMDB ID":"HMDB0000251","":"","Formula":"C2H7NO3S","Monoisotopic_Mass":"125.0146638","Delta(ppm)":"2"},{"Metabolite":"2-(Dimethylamino)acetonitrile","m/z":"126.10281","RT [min]":"14.508","Molecular Weight":"84.06898","HMDB ID":"HMDB0061875","":"","Formula":"C4H8N2","Monoisotopic_Mass":"84.06874827","Delta(ppm)":"3"},{"Metabolite":"1-Methylhistamine","m/z":"126.10297","RT [min]":"14.51","Molecular Weight":"125.09567","HMDB ID":"HMDB0000898","":"","Formula":"C6H11N3","Monoisotopic_Mass":"125.0952974","Delta(ppm)":"13"},{"Metabolite":"Thymine","m/z":"127.05057","RT [min]":"1.591","Molecular Weight":"126.04322","HMDB ID":"HMDB0000262","":"","Formula":"C5H6N2O2","Monoisotopic_Mass":"126.0429274","Delta(ppm)":"2"},{"Metabolite":"Dihydrothymine","m/z":"129.0661","RT [min]":"0.816","Molecular Weight":"128.05884","HMDB ID":"HMDB0000079","":"","Formula":"C5H8N2O2","Monoisotopic_Mass":"128.0585775","Delta(ppm)":"2"},{"Metabolite":"Pyroglutamic acid ","m/z":"130.05013","RT [min]":"0.848","Molecular Weight":"129.04283","HMDB ID":"HMDB0000267","":"","Formula":"C5H7NO3","Monoisotopic_Mass":"129.0425931","Delta(ppm)":"2"},{"Metabolite":"Pipecolic acid","m/z":"130.0865","RT [min]":"0.713","Molecular Weight":"129.0791","HMDB ID":"HMDB0000070","":"","Formula":"C6H11NO2","Monoisotopic_Mass":"129.0789786","Delta(ppm)":"1"},{"Metabolite":"Acetylputrescine","m/z":"131.11809","RT [min]":"0.846","Molecular Weight":"130.11083","HMDB ID":"HMDB0002064","":"","Formula":"C6H14N2O","Monoisotopic_Mass":"130.1106131","Delta(ppm)":"2"},{"Metabolite":"5-Aminolevulinic acid","m/z":"132.06575","RT [min]":"1.612","Molecular Weight":"131.05847","HMDB ID":"HMDB0001149","":"","Formula":"C5H9NO3","Monoisotopic_Mass":"131.0582432","Delta(ppm)":"2"},{"Metabolite":"Creatine","m/z":"132.07703","RT [min]":"0.827","Molecular Weight":"131.06976","HMDB ID":"HMDB0000064","":"","Formula":"C4H9N3O2","Monoisotopic_Mass":"131.0694765","Delta(ppm)":"2"},{"Metabolite":"L-Leucine","m/z":"132.1021","RT [min]":"1.417","Molecular Weight":"131.09483","HMDB ID":"HMDB0000687","":"","Formula":"C6H13NO2","Monoisotopic_Mass":"131.0946287","Delta(ppm)":"2"},{"Metabolite":"6-Hydroxyhexanoic acid","m/z":"133.08609","RT [min]":"3.19","Molecular Weight":"132.07881","HMDB ID":"HMDB0012843","":"","Formula":"C6H12O3","Monoisotopic_Mass":"132.0786443","Delta(ppm)":"1"},{"Metabolite":"Ornithine","m/z":"133.09738","RT [min]":"0.706","Molecular Weight":"132.09013","HMDB ID":"HMDB0000214","":"","Formula":"C5H12N2O2","Monoisotopic_Mass":"132.0898776","Delta(ppm)":"2"},{"Metabolite":"L-Aspartic acid","m/z":"134.045","RT [min]":"0.811","Molecular Weight":"133.0377","HMDB ID":"HMDB0000191","":"","Formula":"C4H7NO4","Monoisotopic_Mass":"133.0375077","Delta(ppm)":"1"},{"Metabolite":"Homocysteine","m/z":"136.03996","RT [min]":"6.327","Molecular Weight":"135.03269","HMDB ID":"HMDB0000742","":"","Formula":"C4H9NO2S","Monoisotopic_Mass":"135.0353992","Delta(ppm)":"20"},{"Metabolite":"Adenine","m/z":"136.06197","RT [min]":"0.875","Molecular Weight":"135.05466","HMDB ID":"HMDB0000034","":"","Formula":"C5H5N5","Monoisotopic_Mass":"135.0544952","Delta(ppm)":"1"},{"Metabolite":"Hypoxanthine","m/z":"137.04597","RT [min]":"0.904","Molecular Weight":"136.03868","HMDB ID":"HMDB0000157","":"","Formula":"C4H8O5","Monoisotopic_Mass":"136.0371734","Delta(ppm)":"1"},{"Metabolite":"Tyramine","m/z":"138.09146","RT [min]":"1.401","Molecular Weight":"137.0842","HMDB ID":"HMDB0000306","":"","Formula":"C8H11NO","Monoisotopic_Mass":"137.084064","Delta(ppm)":"1"},{"Metabolite":"Hydroxyhexanoycarnitine","m/z":"138.5948","RT [min]":"1.94","Molecular Weight":"275.17505","HMDB ID":"HMDB0013131","":"","Formula":"C13H25NO5","Monoisotopic_Mass":"275.1732729","Delta(ppm)":"6"},{"Metabolite":"4-Hydroxybenzoic acid","m/z":"139.03912","RT [min]":"1.203","Molecular Weight":"138.03185","HMDB ID":"HMDB0000500","":"","Formula":"C7H6O3","Monoisotopic_Mass":"138.0316941","Delta(ppm)":"1"},{"Metabolite":"Urocanic acid","m/z":"139.0502","RT [min]":"1.204","Molecular Weight":"138.04296","HMDB ID":"HMDB0000301","":"","Formula":"C6H6N2O2","Monoisotopic_Mass":"138.0429274","Delta(ppm)":"0"},{"Metabolite":"Sulfate","m/z":"140.00206","RT [min]":"0.689","Molecular Weight":"97.96823","HMDB ID":"HMDB0001448","":"","Formula":"H2O4S","Monoisotopic_Mass":"97.96737924","Delta(ppm)":"8"},{"Metabolite":"Methylimidazoleacetic acid","m/z":"141.06606","RT [min]":"0.961","Molecular Weight":"140.05887","HMDB ID":"HMDB0002820","":"","Formula":"C6H8N2O2","Monoisotopic_Mass":"140.0585775","Delta(ppm)":"1"},{"Metabolite":"Proline betaine","m/z":"144.10196","RT [min]":"0.853","Molecular Weight":"143.09474","HMDB ID":"HMDB0004827","":"","Formula":"C7H13NO2","Monoisotopic_Mass":"143.0946287","Delta(ppm)":"1"},{"Metabolite":"4-Trimethylammoniobutanoic acid","m/z":"146.11755","RT [min]":"0.827","Molecular Weight":"145.11038","HMDB ID":"HMDB0001161","":"","Formula":"C7H15NO2","Monoisotopic_Mass":"145.1102787","Delta(ppm)":"1"},{"Metabolite":"Spermidine","m/z":"146.16539","RT [min]":"0.662","Molecular Weight":"145.15807","HMDB ID":"HMDB0001257","":"","Formula":"C7H19N3","Monoisotopic_Mass":"145.1578976","Delta(ppm)":"1"},{"Metabolite":"Oxoglutaric acid ","m/z":"147.02884","RT [min]":"1.209","Molecular Weight":"146.02167","HMDB ID":"HMDB0000208","":"","Formula":"C5H6O5","Monoisotopic_Mass":"146.0215233","Delta(ppm)":"1"},{"Metabolite":"Coumarin","m/z":"147.0443","RT [min]":"1.257","Molecular Weight":"146.03702","HMDB ID":"HMDB0001218","":"","Formula":"C9H6O2","Monoisotopic_Mass":"146.0367794","Delta(ppm)":"2"},{"Metabolite":"Adipic acid","m/z":"147.06528","RT [min]":"0.821","Molecular Weight":"146.0581","HMDB ID":"HMDB0000448","":"","Formula":"C6H10O4","Monoisotopic_Mass":"146.0579088","Delta(ppm)":"1"},{"Metabolite":"D-Glutamine","m/z":"147.07657","RT [min]":"0.799","Molecular Weight":"146.06929","HMDB ID":"HMDB0003423","":"","Formula":"C5H10N2O3","Monoisotopic_Mass":"146.0691422","Delta(ppm)":"1"},{"Metabolite":"L-Lysine","m/z":"147.11295","RT [min]":"0.711","Molecular Weight":"146.10564","HMDB ID":"HMDB0000182","":"","Formula":"C6H14N2O2","Monoisotopic_Mass":"146.1055277","Delta(ppm)":"1"},{"Metabolite":"L-Glutamic acid","m/z":"148.06052","RT [min]":"0.811","Molecular Weight":"147.05325","HMDB ID":"HMDB0000148","":"","Formula":"C5H9NO4","Monoisotopic_Mass":"147.0531578","Delta(ppm)":"1"},{"Metabolite":"Carvone","m/z":"151.11186","RT [min]":"6.586","Molecular Weight":"150.10465","HMDB ID":"HMDB0035824","":"","Formula":"C10H14O","Monoisotopic_Mass":"150.1044651","Delta(ppm)":"1"},{"Metabolite":"Guanine","m/z":"152.05678","RT [min]":"1.599","Molecular Weight":"151.04957","HMDB ID":"HMDB0000132","":"","Formula":"C5H5N5O","Monoisotopic_Mass":"151.0494098","Delta(ppm)":"1"},{"Metabolite":"Xanthine","m/z":"153.04086","RT [min]":"1.311","Molecular Weight":"152.03356","HMDB ID":"HMDB0000292","":"","Formula":"C5H4N4O2","Monoisotopic_Mass":"152.0334254","Delta(ppm)":"1"},{"Metabolite":"Arabitol","m/z":"153.07582","RT [min]":"0.824","Molecular Weight":"152.06858","HMDB ID":"HMDB0001851","":"","Formula":"C5H12O5","Monoisotopic_Mass":"152.0684735","Delta(ppm)":"1"},{"Metabolite":"2-Pentylthiophene","m/z":"155.08966","RT [min]":"3.294","Molecular Weight":"154.08242","HMDB ID":"HMDB0040240","":"","Formula":"C9H14S","Monoisotopic_Mass":"154.0816211","Delta(ppm)":"5"},{"Metabolite":"L-Histidine","m/z":"156.07709","RT [min]":"0.721","Molecular Weight":"155.06969","HMDB ID":"HMDB0000177","":"","Formula":"C6H9N3O2","Monoisotopic_Mass":"155.0694765","Delta(ppm)":"1"},{"Metabolite":"3-Dehydrocarnitine","m/z":"160.09357","RT [min]":"7.817","Molecular Weight":"159.0864","HMDB ID":"HMDB0012154","":"","Formula":"C7H13NO3","Monoisotopic_Mass":"159.0895433","Delta(ppm)":"20"},{"Metabolite":"Aminoadipic acid","m/z":"162.07634","RT [min]":"0.876","Molecular Weight":"161.06897","HMDB ID":"HMDB0000510","":"","Formula":"C6H11NO4","Monoisotopic_Mass":"161.0688078","Delta(ppm)":"1"},{"Metabolite":"Nicotine","m/z":"163.1232","RT [min]":"14.516","Molecular Weight":"162.11587","HMDB ID":"HMDB0001934","":"","Formula":"C10H14N2","Monoisotopic_Mass":"162.1156985","Delta(ppm)":"1"},{"Metabolite":"Hexylbenzene","m/z":"163.14819","RT [min]":"13.153","Molecular Weight":"162.14093","HMDB ID":"HMDB0061815","":"","Formula":"C12H18","Monoisotopic_Mass":"162.1408506","Delta(ppm)":"0"},{"Metabolite":"Fucose","m/z":"165.07608","RT [min]":"0.82","Molecular Weight":"164.0687","HMDB ID":"HMDB0000174","":"","Formula":"C6H12O5","Monoisotopic_Mass":"164.0684735","Delta(ppm)":"1"},{"Metabolite":"Jasmone","m/z":"165.12749","RT [min]":"7.03","Molecular Weight":"164.12032","HMDB ID":"HMDB0031454","":"","Formula":"C11H16O","Monoisotopic_Mass":"164.1201151","Delta(ppm)":"1"},{"Metabolite":"Methionine sulfoxide","m/z":"166.05351","RT [min]":"0.928","Molecular Weight":"165.04617","HMDB ID":"HMDB0002005","":"","Formula":"C5H11NO3S","Monoisotopic_Mass":"165.0459644","Delta(ppm)":"1"},{"Metabolite":"L-Phenylalanine","m/z":"166.08649","RT [min]":"6.426","Molecular Weight":"165.07916","HMDB ID":"HMDB0000159","":"","Formula":"C9H11NO2","Monoisotopic_Mass":"165.0789786","Delta(ppm)":"1"},{"Metabolite":"Arabinonic acid ","m/z":"167.05656","RT [min]":"1.791","Molecular Weight":"166.04922","HMDB ID":"HMDB0000539","":"","Formula":"C5H10O6","Monoisotopic_Mass":"166.0477381","Delta(ppm)":"1"},{"Metabolite":"3-Phenyllactic acid","m/z":"167.07387","RT [min]":"0.789","Molecular Weight":"166.0665","HMDB ID":"HMDB0000748","":"","Formula":"C9H10O3","Monoisotopic_Mass":"166.0629942","Delta(ppm)":"21"},{"Metabolite":"Phosphoenolpyruvic acid","m/z":"168.99059","RT [min]":"6.098","Molecular Weight":"167.98331","HMDB ID":"HMDB0000263","":"","Formula":"C3H5O6P","Monoisotopic_Mass":"167.9823744","Delta(ppm)":"6"},{"Metabolite":"Uric acid","m/z":"169.0358","RT [min]":"0.88","Molecular Weight":"168.02849","HMDB ID":"HMDB0000289","":"","Formula":"C5H4N4O3","Monoisotopic_Mass":"168.02834","Delta(ppm)":"1"},{"Metabolite":"Diphenylamine","m/z":"170.09654","RT [min]":"9.488","Molecular Weight":"169.0893","HMDB ID":"HMDB0032562","":"","Formula":"C12H11N","Monoisotopic_Mass":"169.0891494","Delta(ppm)":"1"},{"Metabolite":"Dihydroxyacetone phosphate","m/z":"171.00569","RT [min]":"0.685","Molecular Weight":"169.99844","HMDB ID":"HMDB0001473","":"","Formula":"C3H7O6P","Monoisotopic_Mass":"169.9980245","Delta(ppm)":"2"},{"Metabolite":"Glycylproline","m/z":"173.09238","RT [min]":"0.884","Molecular Weight":"172.08506","HMDB ID":"HMDB0000721","":"","Formula":"C7H12N2O3","Monoisotopic_Mass":"172.0847923","Delta(ppm)":"2"},{"Metabolite":"N-Acetylleucine","m/z":"174.11273","RT [min]":"4.473","Molecular Weight":"173.10544","HMDB ID":"HMDB0011756","":"","Formula":"C8H15NO3","Monoisotopic_Mass":"173.1051934","Delta(ppm)":"1"},{"Metabolite":"cis-Aconitic acid","m/z":"175.02689","RT [min]":"0.873","Molecular Weight":"174.01961","HMDB ID":"HMDB0000072","":"","Formula":"C6H6O6","Monoisotopic_Mass":"174.0164379","Delta(ppm)":"18"},{"Metabolite":"L-Theanine","m/z":"175.10785","RT [min]":"0.828","Molecular Weight":"174.10063","HMDB ID":"HMDB0034365","":"","Formula":"C7H14N2O3","Monoisotopic_Mass":"174.1004423","Delta(ppm)":"1"},{"Metabolite":"L-Arginine","m/z":"175.11928","RT [min]":"0.752","Molecular Weight":"174.11187","HMDB ID":"HMDB0000517","":"","Formula":"C6H14N4O2","Monoisotopic_Mass":"174.1116757","Delta(ppm)":"1"},{"Metabolite":"1-Methyl-4-(1-methyl-2-propenyl)-benzene","m/z":"175.14828","RT [min]":"12.086","Molecular Weight":"174.14101","HMDB ID":"HMDB0061824","":"","Formula":"C13H18","Monoisotopic_Mass":"174.1408506","Delta(ppm)":"1"},{"Metabolite":"N-Acetyl-L-aspartic acid","m/z":"176.05537","RT [min]":"1.212","Molecular Weight":"175.0481","HMDB ID":"HMDB0000812","":"","Formula":"C6H9NO5","Monoisotopic_Mass":"175.0480724","Delta(ppm)":"0"},{"Metabolite":"Indoleacetic acid","m/z":"176.07085","RT [min]":"5.622","Molecular Weight":"175.06355","HMDB ID":"HMDB0000197","":"","Formula":"C10H9NO2","Monoisotopic_Mass":"175.0633285","Delta(ppm)":"1"},{"Metabolite":"Citrulline","m/z":"176.10315","RT [min]":"0.804","Molecular Weight":"175.09588","HMDB ID":"HMDB0000904","":"","Formula":"C6H13N3O3","Monoisotopic_Mass":"175.0956913","Delta(ppm)":"1"},{"Metabolite":"Cotinine","m/z":"177.10239","RT [min]":"1.398","Molecular Weight":"176.09517","HMDB ID":"HMDB0001046","":"","Formula":"C10H12N2O","Monoisotopic_Mass":"176.094963","Delta(ppm)":"1"},{"Metabolite":"4-Methoxycinnamic acid","m/z":"179.07045","RT [min]":"12.655","Molecular Weight":"178.06317","HMDB ID":"HMDB0002040","":"","Formula":"C10H10O3","Monoisotopic_Mass":"178.0629942","Delta(ppm)":"1"},{"Metabolite":"Hippuric acid","m/z":"180.06567","RT [min]":"4.013","Molecular Weight":"179.05843","HMDB ID":"HMDB0000714","":"","Formula":"C9H9NO3","Monoisotopic_Mass":"179.0582432","Delta(ppm)":"1"},{"Metabolite":"Theophylline","m/z":"181.0721","RT [min]":"2.867","Molecular Weight":"180.06488","HMDB ID":"HMDB0001889","":"","Formula":"C7H8N4O2","Monoisotopic_Mass":"180.0647255","Delta(ppm)":"1"},{"Metabolite":"L-Tyrosine","m/z":"182.08136","RT [min]":"0.925","Molecular Weight":"181.07408","HMDB ID":"HMDB0000158","":"","Formula":"C9H11NO3","Monoisotopic_Mass":"181.0738932","Delta(ppm)":"1"},{"Metabolite":"9-Methyluric acid","m/z":"183.05165","RT [min]":"1.82","Molecular Weight":"182.04437","HMDB ID":"HMDB0001973","":"","Formula":"C6H6N4O3","Monoisotopic_Mass":"182.0439901","Delta(ppm)":"2"},{"Metabolite":"Hydroxyphenyllactic acid","m/z":"183.06532","RT [min]":"4.897","Molecular Weight":"182.05805","HMDB ID":"HMDB0000755","":"","Formula":"C9H10O4","Monoisotopic_Mass":"182.0579088","Delta(ppm)":"1"},{"Metabolite":"Mannitol","m/z":"183.08646","RT [min]":"0.809","Molecular Weight":"182.07921","HMDB ID":"HMDB0000765","":"","Formula":"C6H14O6","Monoisotopic_Mass":"182.0790382","Delta(ppm)":"1"},{"Metabolite":"Saccharin","m/z":"184.00319","RT [min]":"0.677","Molecular Weight":"182.99626","HMDB ID":"HMDB0029723","":"","Formula":"C7H5NO3S","Monoisotopic_Mass":"182.9990137","Delta(ppm)":"15"},{"Metabolite":"Alanylproline","m/z":"187.10799","RT [min]":"1.204","Molecular Weight":"186.10063","HMDB ID":"HMDB0028695","":"","Formula":"C8H14N2O3","Monoisotopic_Mass":"186.1004423","Delta(ppm)":"1"},{"Metabolite":"N8-Acetylspermidine","m/z":"188.17589","RT [min]":"0.736","Molecular Weight":"187.16864","HMDB ID":"HMDB0002189","":"","Formula":"C9H21N3O","Monoisotopic_Mass":"187.1684623","Delta(ppm)":"1"},{"Metabolite":"Azelaic acid","m/z":"189.11238","RT [min]":"5.369","Molecular Weight":"188.10507","HMDB ID":"HMDB0000784","":"","Formula":"C9H16O4","Monoisotopic_Mass":"188.104859","Delta(ppm)":"1"},{"Metabolite":"Glycylleucine ","m/z":"189.1235","RT [min]":"1.63","Molecular Weight":"188.11628","HMDB ID":"HMDB0000759","":"","Formula":"C8H16N2O3","Monoisotopic_Mass":"188.1160924","Delta(ppm)":""},{"Metabolite":"N-Acetyl-L-methionine","m/z":"192.06911","RT [min]":"3.492","Molecular Weight":"191.06183","HMDB ID":"HMDB0011745","":"","Formula":"C7H13NO3S","Monoisotopic_Mass":"191.061614","Delta(ppm)":"1"},{"Metabolite":"Citric acid","m/z":"193.03444","RT [min]":"1.209","Molecular Weight":"192.02707","HMDB ID":"HMDB0000094","":"","Formula":"C6H8O7","Monoisotopic_Mass":"192.0270026","Delta(ppm)":"0"},{"Metabolite":"Caffeine","m/z":"195.08784","RT [min]":"3.816","Molecular Weight":"194.0806","HMDB ID":"HMDB0001847","":"","Formula":"C8H10N4O2","Monoisotopic_Mass":"194.0803756","Delta(ppm)":"1"},{"Metabolite":"DL-o-Chlorophenylalanine","m/z":"200.04756","RT [min]":"3.252","Molecular Weight":"199.04033","HMDB ID":"IS","":"","Formula":"C9H10ClNO2","Monoisotopic_Mass":"199.040006","Delta(ppm)":"/"},{"Metabolite":"Spermine","m/z":"203.22324","RT [min]":"0.639","Molecular Weight":"202.21589","HMDB ID":"HMDB0001256","":"","Formula":"C10H26N4","Monoisotopic_Mass":"202.2157469","Delta(ppm)":"1"},{"Metabolite":" L-Tryptophan","m/z":"205.09746","RT [min]":"3.201","Molecular Weight":"204.09005","HMDB ID":"HMDB0000929","":"","Formula":"C11H12N2O2","Monoisotopic_Mass":"204.0898776","Delta(ppm)":"1"},{"Metabolite":"Lipoamide","m/z":"206.06366","RT [min]":"7.094","Molecular Weight":"205.05638","HMDB ID":"HMDB0000962","":"","Formula":"C8H15NOS2","Monoisotopic_Mass":"205.0595055","Delta(ppm)":"15"},{"Metabolite":"Panthenol","m/z":"206.13899","RT [min]":"2.787","Molecular Weight":"205.13172","HMDB ID":"HMDB0004231","":"","Formula":"C9H19NO4","Monoisotopic_Mass":"205.1314081","Delta(ppm)":"2"},{"Metabolite":"Galactaric acid","m/z":"211.03922","RT [min]":"1.192","Molecular Weight":"210.03232","HMDB ID":"HMDB0000639","":"","Formula":"C6H10O8","Monoisotopic_Mass":"210.0375673","Delta(ppm)":"25"},{"Metabolite":"Pantothenic acid","m/z":"220.11815","RT [min]":"2.772","Molecular Weight":"219.11087","HMDB ID":"HMDB0000210","":"","Formula":"C9H17NO5","Monoisotopic_Mass":"219.1106727","Delta(ppm)":"1"},{"Metabolite":"N-Acetyl-D-glucosamine","m/z":"222.0974","RT [min]":"0.841","Molecular Weight":"221.09011","HMDB ID":"HMDB0000215","":"","Formula":"C8H15NO6","Monoisotopic_Mass":"221.0899372","Delta(ppm)":"1"},{"Metabolite":"Glycyl-Phenylalanine","m/z":"223.10809","RT [min]":"2.817","Molecular Weight":"222.10066","HMDB ID":"HMDB0028848","":"","Formula":"C11H14N2O3","Monoisotopic_Mass":"222.1004423","Delta(ppm)":"1"},{"Metabolite":"Methyl dihydrojasmonate","m/z":"227.16441","RT [min]":"13.292","Molecular Weight":"226.15693","HMDB ID":"HMDB0031740","":"","Formula":"C13H22O3","Monoisotopic_Mass":"226.1568946","Delta(ppm)":"0"},{"Metabolite":"Butyrylcarnitine ","m/z":"232.1544","RT [min]":"2.959","Molecular Weight":"231.14717","HMDB ID":"HMDB0002013","":"","Formula":"C11H21NO4","Monoisotopic_Mass":"231.1470582","Delta(ppm)":"0"},{"Metabolite":"Thymidine","m/z":"243.09767","RT [min]":"2.423","Molecular Weight":"242.09031","HMDB ID":"HMDB0000273","":"","Formula":"C15H14O3","Monoisotopic_Mass":"242.0902716","Delta(ppm)":"0"},{"Metabolite":"N-Undecanoylglycine","m/z":"244.1907","RT [min]":"13.154","Molecular Weight":"243.18349","HMDB ID":"HMDB0013286","":"","Formula":"C13H25NO3","Monoisotopic_Mass":"243.1834437","Delta(ppm)":"0"},{"Metabolite":"Isovalerylcarnitine","m/z":"246.17007","RT [min]":"3.777","Molecular Weight":"245.16284","HMDB ID":"HMDB0000688","":"","Formula":"C12H23NO4","Monoisotopic_Mass":"245.1627082","Delta(ppm)":"1"},{"Metabolite":"Deoxyinosine","m/z":"253.09338","RT [min]":"1.643","Molecular Weight":"252.08599","HMDB ID":"HMDB0000071","":"","Formula":"C10H12N4O4","Monoisotopic_Mass":"252.0858549","Delta(ppm)":"1"},{"Metabolite":"Glycerophosphocholine","m/z":"258.10995","RT [min]":"0.805","Molecular Weight":"257.1029","HMDB ID":"HMDB0000086","":"","Formula":"C8H20NO6P","Monoisotopic_Mass":"257.1028244","Delta(ppm)":"0"},{"Metabolite":"Threonylphenylalanine","m/z":"267.134","RT [min]":"3.222","Molecular Weight":"266.12674","HMDB ID":"HMDB0029068","":"","Formula":"C13H18N2O4","Monoisotopic_Mass":"266.1266571","Delta(ppm)":"0"},{"Metabolite":"Adenosine","m/z":"268.1041","RT [min]":"1.508","Molecular Weight":"267.09683","HMDB ID":"HMDB0000050","":"","Formula":"C10H13N5O4","Monoisotopic_Mass":"267.0967539","Delta(ppm)":"0"},{"Metabolite":"Inosine","m/z":"269.08823","RT [min]":"1.455","Molecular Weight":"268.0808","HMDB ID":"HMDB0000195","":"","Formula":"C10H12N4O5","Monoisotopic_Mass":"268.0807695","Delta(ppm)":"0"},{"Metabolite":"Heptadecanoic acid","m/z":"271.26312","RT [min]":"1.175","Molecular Weight":"270.25585","HMDB ID":"HMDB0002259","":"","Formula":"C17H34O2","Monoisotopic_Mass":"270.2558803","Delta(ppm)":"0"},{"Metabolite":"alpha-Linolenic acid","m/z":"279.23199","RT [min]":"10.346","Molecular Weight":"278.22472","HMDB ID":"HMDB0001388","":"","Formula":"C18H30O2","Monoisotopic_Mass":"278.2245802","Delta(ppm)":"1"},{"Metabolite":"Linoelaidic acid","m/z":"281.24734","RT [min]":"10.754","Molecular Weight":"280.24016","HMDB ID":"HMDB0006270","":"","Formula":"C18H32O2","Monoisotopic_Mass":"280.2402303","Delta(ppm)":"0"},{"Metabolite":"Oleamide","m/z":"282.27893","RT [min]":"12.75","Molecular Weight":"281.27183","HMDB ID":"HMDB0002117","":"","Formula":"C18H35NO","Monoisotopic_Mass":"281.2718647","Delta(ppm)":"0"},{"Metabolite":"Guanosine","m/z":"284.099","RT [min]":"1.458","Molecular Weight":"283.09165","HMDB ID":"HMDB0000133","":"","Formula":"C10H13N5O5","Monoisotopic_Mass":"283.0916686","Delta(ppm)":"0"},{"Metabolite":"Aspartame","m/z":"295.12857","RT [min]":"4.225","Molecular Weight":"294.12131","HMDB ID":"HMDB0001894","":"","Formula":"C14H18N2O5","Monoisotopic_Mass":"294.1215717","Delta(ppm)":"1"},{"Metabolite":"Dimorphecolic acid ","m/z":"297.24246","RT [min]":"11.06","Molecular Weight":"296.23509","HMDB ID":"HMDB0004670","":"","Formula":"C18H32O3","Monoisotopic_Mass":"296.2351449","Delta(ppm)":"0"},{"Metabolite":"Ricinoleic acid","m/z":"299.25833","RT [min]":"11.765","Molecular Weight":"298.2509","HMDB ID":"HMDB0034297","":"","Formula":"C18H34O3","Monoisotopic_Mass":"298.250795","Delta(ppm)":"0"},{"Metabolite":"Eicosapentaenoic acid","m/z":"303.23157","RT [min]":"9.974","Molecular Weight":"302.22443","HMDB ID":"HMDB0001999","":"","Formula":"C20H30O2","Monoisotopic_Mass":"302.2245802","Delta(ppm)":"0"},{"Metabolite":"Arachidonic acid","m/z":"305.24747","RT [min]":"11.047","Molecular Weight":"304.24024","HMDB ID":"HMDB0001043","":"","Formula":"C20H32O2","Monoisotopic_Mass":"304.2402303","Delta(ppm)":"0"},{"Metabolite":"N-Acetylneuraminic acid","m/z":"310.1134","RT [min]":"0.832","Molecular Weight":"309.10597","HMDB ID":"HMDB0000230","":"","Formula":"C11H19NO9","Monoisotopic_Mass":"309.1059812","Delta(ppm)":"0"},{"Metabolite":"Phenylalanylphenylalanine","m/z":"313.15469","RT [min]":"4.544","Molecular Weight":"312.14742","HMDB ID":"HMDB0013302","":"","Formula":"C18H20N2O3","Monoisotopic_Mass":"312.1473925","Delta(ppm)":"0"},{"Metabolite":"12-HETE","m/z":"321.24268","RT [min]":"11.527","Molecular Weight":"320.23544","HMDB ID":"HMDB0006111","":"","Formula":"C20H32O3","Monoisotopic_Mass":"320.2351449","Delta(ppm)":"1"},{"Metabolite":"Maltose","m/z":"343.12332","RT [min]":"0.859","Molecular Weight":"342.11588","HMDB ID":"HMDB0000163","":"","Formula":"C12H22O11","Monoisotopic_Mass":"342.1162115","Delta(ppm)":"1"},{"Metabolite":"3'-AMP","m/z":"348.06931","RT [min]":"0.803","Molecular Weight":"347.06195","HMDB ID":"HMDB0003540","":"","Formula":"C10H14N5O7P","Monoisotopic_Mass":"347.0630843","Delta(ppm)":"3"},{"Metabolite":"Chlorogenic acid","m/z":"355.10223","RT [min]":"3.634","Molecular Weight":"354.09489","HMDB ID":"HMDB0003164","":"","Formula":"C16H18O9","Monoisotopic_Mass":"354.0950822","Delta(ppm)":"1"},{"Metabolite":"N-Oleoyl GABA","m/z":"368.31534","RT [min]":"11.648","Molecular Weight":"367.30843","HMDB ID":"HMDB0062335","":"","Formula":"C22H41NO3","Monoisotopic_Mass":"367.3086442","Delta(ppm)":"1"},{"Metabolite":"N-Stearoyl GABA","m/z":"370.33115","RT [min]":"10.76","Molecular Weight":"369.32415","HMDB ID":"HMDB0062341","":"","Formula":"C22H43NO3","Monoisotopic_Mass":"369.3242942","Delta(ppm)":"0"},{"Metabolite":"Dioctyldiphenylamine","m/z":"394.34317","RT [min]":"11.821","Molecular Weight":"393.33574","HMDB ID":"HMDB0061926","":"","Formula":"C28H43N","Monoisotopic_Mass":"393.3395504","Delta(ppm)":"10"},{"Metabolite":"LysoPA(0:0/16:0)","m/z":"411.25043","RT [min]":"10.016","Molecular Weight":"410.24315","HMDB ID":"HMDB0007849","":"","Formula":"C19H39O7P","Monoisotopic_Mass":"410.2433401","Delta(ppm)":"0"},{"Metabolite":"LysoPC(14:0/0:0)","m/z":"468.30862","RT [min]":"8.971","Molecular Weight":"467.30145","HMDB ID":"HMDB0010379","":"","Formula":"C22H46NO7P","Monoisotopic_Mass":"467.3011893","Delta(ppm)":"1"},{"Metabolite":"LysoPE(18:2(9Z,12Z)/0:0)","m/z":"478.29343","RT [min]":"9.496","Molecular Weight":"477.28615","HMDB ID":"HMDB0011507","":"","Formula":"C23H44NO7P","Monoisotopic_Mass":"477.2855393","Delta(ppm)":"1"},{"Metabolite":"LysoPE(0:0/18:1(11Z))","m/z":"480.30872","RT [min]":"10.449","Molecular Weight":"479.30142","HMDB ID":"HMDB0011475","":"","Formula":"C23H46NO7P","Monoisotopic_Mass":"479.3011893","Delta(ppm)":"0"},{"Metabolite":"LysoPC(18:0/0:0)","m/z":"524.37085","RT [min]":"11.21","Molecular Weight":"523.36399","HMDB ID":"HMDB0010384","":"","Formula":"C26H54NO7P","Monoisotopic_Mass":"523.3637896","Delta(ppm)":"0"}]
}

}