{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002179","ANALYSIS_ID":"AN003569","VERSION":"1","CREATED_ON":"May 26, 2022, 5:52 pm"},

"PROJECT":{"PROJECT_TITLE":"Impact of nitisinone on the cerebrospinal fluid metabolome of a murine model of alkaptonuria","PROJECT_SUMMARY":"Background: Nitisinone induced hypertyrosinaemia is well documented in Alkaptonuria (AKU), and there is uncertainty over whether it may contribute to a decline in cognitive function and or mood by altering neurotransmitter metabolism. The aim of this work was to evaluate the impact of nitisinone on the cerebrospinal fluid (CSF) metabolome in a murine model of AKU, with a view to providing additional insight into metabolic changes that occur following treatment with nitisinone. Methods: 17 CSF samples were collected from BALB/c Hgd-/-mice (n=8, treated with nitisinone – 4 mg/L and n=9, no treatment). Samples were diluted 1:1 with deionised water and analysed using a 1290 Infinity II liquid chromatography system coupled to a 6550 quadrupole time-of-flight mass spectrometry (Agilent, Cheadle, UK). Raw data were processed using a targeted feature extraction algorithm and an established in-house accurate mass retention time database. Matched entities (±10 ppm theoretical accurate mass and ±0.3 minutes retention time window) were filtered based on their frequency and variability. Experimental groups were compared using a moderated t-test with Benjamini-Hochberg false-discovery rate adjustment. Results: Tyrosine, acetyl-tyrosine, γ-glutamyl-tyrosine, p-hydroxyphenylacetic acid and 3-(4-hydroxyphenyl)lactic acid were shown to increase in abundance (log2 fold change 2.6-6.9, 3/5 were significant p<0.05) in the mice that received nitisinone. Several other metabolites of interest were matched but no significant differences were observed, including the aromatic amino acids phenylalanine and tryptophan, and monoamine metabolites adrenaline, 3-methoxy-4-hydroxyphenylglycol and octopamine. Conclusions: Evaluation of the CSF metabolome of a murine model of AKU showed a significant difference in the abundance of a limited number of metabolites. None of these have been reported in CSF from a murine model of AKU previously. Moreover this study confirms that some monoamine metabolites do not appear to be altered following nitisinone therapy.","INSTITUTE":"University of Liverpool Institute of Life Course & Medical Sciences","LAST_NAME":"Davison","FIRST_NAME":"Andrew","ADDRESS":"1. Department of Clinical Biochemistry and Metabolic Medicine, Liverpool Clinical Laboratories, Liverpool University Hospitals NHS Foundation Trust, Liverpool, UK; 2. Department of Musculoskeletal and Ageing Science, Institute of Life Course and Medical Sciences, University of Liverpool, Liverpool, UK 3. School of Exercise Science, Liverpool John Moores University, Liverpool, UK","EMAIL":"andrew.davison@liverpoolft.nhs.uk","PHONE":"0151 706 4011","CONTRIBUTORS":"Davison AS1,2,*, Norman BP2, Sutherland H2,3, Milan AM1,2, Jarvis JC3, Gallagher JA2, Ranganath LR1,2"},

"STUDY":{"STUDY_TITLE":"Impact of nitisinone on the cerebrospinal fluid metabolome of a murine model of alkaptonuria","STUDY_SUMMARY":"Background: Nitisinone induced hypertyrosinaemia is well documented in Alkaptonuria (AKU), and there is uncertainty over whether it may contribute to a decline in cognitive function and or mood by altering neurotransmitter metabolism. The aim of this work was to evaluate the impact of nitisinone on the cerebrospinal fluid (CSF) metabolome in a murine model of AKU, with a view to providing additional insight into metabolic changes that occur following treatment with nitisinone. Methods: 17 CSF samples were collected from BALB/c Hgd-/-mice (n=8, treated with nitisinone – 4 mg/L and n=9, no treatment). Samples were diluted 1:1 with deionised water and analysed using a 1290 Infinity II liquid chromatography system coupled to a 6550 quadrupole time-of-flight mass spectrometry (Agilent, Cheadle, UK). Raw data were processed using a targeted feature extraction algorithm and an established in-house accurate mass retention time database. Matched entities (±10 ppm theoretical accurate mass and ±0.3 minutes retention time window) were filtered based on their frequency and variability. Experimental groups were compared using a moderated t-test with Benjamini-Hochberg false-discovery rate adjustment. Results: Tyrosine, acetyl-tyrosine, γ-glutamyl-tyrosine, p-hydroxyphenylacetic acid and 3-(4-hydroxyphenyl)lactic acid were shown to increase in abundance (log2 fold change 2.6-6.9, 3/5 were significant p<0.05) in the mice that received nitisinone. Several other metabolites of interest were matched but no significant differences were observed, including the aromatic amino acids phenylalanine and tryptophan, and monoamine metabolites adrenaline, 3-methoxy-4-hydroxyphenylglycol and octopamine. Conclusions: Evaluation of the CSF metabolome of a murine model of AKU showed a significant difference in the abundance of a limited number of metabolites. None of these have been reported in CSF from a murine model of AKU previously. Moreover this study confirms that some monoamine metabolites do not appear to be altered following nitisinone therapy.","INSTITUTE":"University of Liverpool Institute of Life Course & Medical Sciences","LAST_NAME":"Davison","FIRST_NAME":"Andrew","ADDRESS":"1. Department of Clinical Biochemistry and Metabolic Medicine, Liverpool Clinical Laboratories, Liverpool University Hospitals NHS Foundation Trust, Liverpool, UK; 2. Department of Musculoskeletal and Ageing Science, Institute of Life Course and Medical Sciences, University of Liverpool, Liverpool, UK 3. School of Exercise Science, Liverpool John Moores University, Liverpool, UK","EMAIL":"andrew.davison@liverpoolft.nhs.uk","PHONE":"0151 706 4011","NUM_GROUPS":"2","TOTAL_SUBJECTS":"17"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Hgd81.1 + Nitisinone NEG",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_+ NTBC_81.1_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd81.2 + Nitisinone NEG",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_+ NTBC_81.2_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd81.3 + Nitisinone NEG",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_+ NTBC_81.3_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd82.1 + Nitisinone NEG",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_+ NTBC_82.1_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd82.2 + Nitisinone NEG",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_+ NTBC_82.2_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd83.1 + Nitisinone NEG",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_+ NTBC_83.1_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd83.2 - No treatment NEG",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_+ NTBC_83.2_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd80.3 - No treatment NEG",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_80.3_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd80.4 - No treatment NEG",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_80.4_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd81.4 - No treatment NEG",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_81.4_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd81.5 - No treatment NEG",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_81.5_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd81.6 - No treatment NEG",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_81.6_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd82.3 - No treatment NEG",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_82.3_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd82.4 - No treatment NEG",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_82.4_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd83.3 - No treatment NEG",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_83.3_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd83.4 - No treatment NEG",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_AKU_83.4_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd80.2 + Nitisinone POS",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_+ NTBC_80.2_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd81.1 + Nitisinone POS",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_+ NTBC_81.1_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd81.2 + Nitisinone POS",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_+ NTBC_81.2_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd81.3 + Nitisinone POS",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_+ NTBC_81.3_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd82.1 + Nitisinone POS",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_+ NTBC_82.1_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd82.2 + Nitisinone POS",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_+ NTBC_82.2_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd83.1 + Nitisinone POS",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_+ NTBC_83.1_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd83.2 - No treatment POS",
"Factors":{"Treatment group":"Nitisinone"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_+ NTBC_83.2_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd80.3 - No treatment POS",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_80.3_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd80.4 - No treatment POS",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_80.4_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd81.4 - No treatment POS",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_81.4_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd81.5 - No treatment POS",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_81.5_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd81.6 - No treatment POS",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_81.6_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd82.3 - No treatment POS",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_82.3_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd82.4 - No treatment POS",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_82.4_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd83.3 - No treatment POS",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_83.3_CSF"}
},
{
"Subject ID":"-",
"Sample ID":"Hgd83.4 - No treatment POS",
"Factors":{"Treatment group":"No Treatment (control)"},
"Additional sample data":{"RAW_FILE_NAME":"POS_AKU_83.4_CSF"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"A murine model of AKU was used for all experiments as described previously (Preston et al., 2014). Seventeen BALB/c Hgd-/- mice (Figure 5 for age and gender) were included in this study, 8 mice were administered nitisinone (4 mg/L) through their drinking water for 6 days, the remaining 9 mice received no nitisinone. All animals were housed in air conditioned rooms (with a 12 h dark/light cycle) at 20 °C and 53 % humidity, with access to food and water ad libitum at Liverpool John Moores University. All animal experiments complied with the ARRIVE guidelines and were carried out in accordance with the U.K. Animals (Scientific Procedures) Act, 1986 and associated guidelines, EU Directive 2010/63/EU for animal experiments. All mice were culled by carbon dioxide asphyxiation and CSF was removed from the cisterna magna following the puncture technique of Liu et al. (56), with some modifications. The cisterna magna was exposed by dissecting skin and overlaying muscles. Cauterisation was used to dry up any bleeding from surrounding tissues. A pulled glass pipette with an internal diameter of ~0.4 mm was attached to silicone tubing and connected to a 1 mL syringe with a 19 g needle. The tip of the glass pipette was used to puncture the membrane and held still just below the membrane by 1 person. Through a double-headed microscope a second person then used the 1 mL syringe to apply gentle pressure to encourage the CSF to flow up the capillary tube. Only clear CSF samples (i.e. non blood stained) were collected. Once collected CSF samples were transferred to clear Eppendorf tubes and stored at -80 °C until analysis. Samples were not acidified. The same glass pipette was used to collect CSF from each animal, and was washed with pure water between each animal.","SAMPLE_TYPE":"CSF"},

"TREATMENT":{"TREATMENT_SUMMARY":"9 mice control 8 mice received 4 mg/L nitisinone for 6 days in drinking water"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Murine CSF samples were prepared by diluting 2 µL CSF with 2 µL deionized water (DIRECT-Q 3UV Millipore water purification system). CSF samples were pipetted directly into a 150 µL glass insert with polymer feet, which sat in a 2 mL amber screw vial (Agilent, Cheadle, UK). These vials were used to ensure maximal recovery of sample. Deionised water was also added directly to the glass insert, and mixed with the CSF sample using a pipette. The glass vials were centrifuged at 600 rpm for 10 min to ensure the diluted sample was at the bottom of the vial for sampling. 1 µL of diluted CSF was analysed in negative and positive polarities, respectively."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Liquid chromatography (LC) was performed on an Agilent 1290 Infinity II LC system. An Atlantis dC18 column (3.0x100mm, 3µm, Waters, UK) was maintained at 60°C with a flow rate of 0.4mL/min. Mobile phases were (A) water and (B) methanol both containing 5mmol/L ammonium formate and 0.1% formic acid. The elution gradient started at 5% mobile phase B at 0-1 min increasing linearly to 100% B by 12 min, held at 100% B until 14 min, returning to 95% A for 5 min to recondition the column. Injection volume was 1µL.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent Infinity II","COLUMN_NAME":"Atlantis dC18 column (3.0x100mm, 3µm, Waters, UK)"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6550 QTOF","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Quadrupole time-of-flight mass spectrometry (QTOF-MS) conditions An Agilent 6550 QTOF-MS equipped with a dual jet stream electrospray ionisation source was operated in 2GHz mode, over the mass range of 50-1700, in negative and positive polarities. A reference mass correction solution was continually infused at a flow rate of 0.5 mL/min via an external isocratic pump (Agilent, UK) for constant mass correction (see Preparation of reference mass correction solution). Capillary and fragmentor voltages were 4000 V and 380 V, respectively. Desolvation gas temperature was 200 °C with flow rate at 15 L/min. The sheath gas temperature was 300 °C with flow rate at 12 L/min and nebulizer pressure was 40 psi and nozzle voltage 1000 V. Data acquisition rate was 3 spectra/s. Preparation of reference mass correction solution Reference mass correction solution was prepared in 95:5 methanol:water containing 5 mmol/L purine (CAS No. 120-73-0), 100 mmol/L trifluoroacetic acid ammonium salt (TFA, CAS No. 3336-58-1) and 2.5 mmol/L hexakis(1H, 1H, 3H-tetrafluoropropoxy)phosphazine (HP-0921, CAS No. 58943-98-9) (Agilent, Cheadle, UK). Reference ions monitored were: purine (m/z 121.0509) and HP-0921 (m/z 922.0098) (positive polarity) and TFA (m/z 112.9856), purine (m/z 119.0363) and HP-0921 (HP-0921 + formate adduct: m/z 966.0007) (negative polarity). Data acquisition and handling parameters Data were acquired using Acquisition (Build 06.00, Agilent, Cheadle, UK). Quality checks and processing of raw data files (Agilent ‘.d’ files) were performed with Qualitative Analysis software (Build 07.00, Agilent, Cheadle, UK). Extracted ion chromatograms of reference masses were performed to check mass accuracy remained <5 ppm throughout the run and that the reference ion signal did not drop out during the chromatographic run. In addition, to check chromatographic reproducibility binary pump pressure curves for injections across each analytical sequence were overlaid. Mass accuracy and chromatographic reproducibility were acceptable for all experiments performed. Acquired profiling sample data were mined for signals against an established in-house AMRT database of compounds (contains theoretical accurate mass, measured retention time, and empirical formula for 469 intermediary metabolites, MW 72-785) using ‘targeted feature extraction’ with Profinder software (Build 08.00, Agilent, Cheadle, UK). Targeted feature extraction uses the molecular formulae from the AMRT database to extract and group spectral signals (i.e. adducts, isotopes and multimers) that correspond to individual database compounds. Feature extraction employed a window of theoretical accurate mass ±10 ppm and database retention time ±0.3 min. Allowed species were: H+, Na+ and NH4+ (positive polarity) and H- and CHO2- (negative polarity). Dimers were allowed for both polarities. Charge state range was 1-2. Data files were then exported from Profinder as ‘.CEF’ files as a whole batch for each profiling experiment and imported to Mass Profiler Professional (MPP) software for statistical analysis (Build 14.5, Agilent, Cheadle, UK)."},

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

"Data":[{"Metabolite":"Inosine","Hgd81.1 + Nitisinone NEG":"1128769","Hgd81.2 + Nitisinone NEG":"600575","Hgd81.3 + Nitisinone NEG":"750496","Hgd82.1 + Nitisinone NEG":"1462769","Hgd82.2 + Nitisinone NEG":"1081718","Hgd83.1 + Nitisinone NEG":"1146996","Hgd83.2 - No treatment NEG":"1220644","Hgd80.3 - No treatment NEG":"939141","Hgd80.4 - No treatment NEG":"925632","Hgd81.4 - No treatment NEG":"1077156","Hgd81.5 - No treatment NEG":"1152140","Hgd81.6 - No treatment NEG":"1134742","Hgd82.3 - No treatment NEG":"1056061","Hgd82.4 - No treatment NEG":"1044233","Hgd83.3 - No treatment NEG":"1287162","Hgd83.4 - No treatment NEG":"1216464"},{"Metabolite":"Adipic acid","Hgd81.1 + Nitisinone NEG":"9009","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"43272","Hgd82.1 + Nitisinone NEG":"20022","Hgd82.2 + Nitisinone NEG":"11036","Hgd83.1 + Nitisinone NEG":"17297","Hgd83.2 - No treatment NEG":"105525","Hgd80.3 - No treatment NEG":"11153","Hgd80.4 - No treatment NEG":"9282","Hgd81.4 - No treatment NEG":"11231","Hgd81.5 - No treatment NEG":"16915","Hgd81.6 - No treatment NEG":"10864","Hgd82.3 - No treatment NEG":"32357","Hgd82.4 - No treatment NEG":"31038","Hgd83.3 - No treatment NEG":"11722","Hgd83.4 - No treatment NEG":"23134"},{"Metabolite":"Sarcosine","Hgd81.1 + Nitisinone NEG":"217770","Hgd81.2 + Nitisinone NEG":"147203","Hgd81.3 + Nitisinone NEG":"282444","Hgd82.1 + Nitisinone NEG":"994577","Hgd82.2 + Nitisinone NEG":"496851","Hgd83.1 + Nitisinone NEG":"251892","Hgd83.2 - No treatment NEG":"302044","Hgd80.3 - No treatment NEG":"244631","Hgd80.4 - No treatment NEG":"5745","Hgd81.4 - No treatment NEG":"210810","Hgd81.5 - No treatment NEG":"285484","Hgd81.6 - No treatment NEG":"376666","Hgd82.3 - No treatment NEG":"175021","Hgd82.4 - No treatment NEG":"407808","Hgd83.3 - No treatment NEG":"299528","Hgd83.4 - No treatment NEG":"233228"},{"Metabolite":"Ethylmalonic acid","Hgd81.1 + Nitisinone NEG":"19773","Hgd81.2 + Nitisinone NEG":"19126","Hgd81.3 + Nitisinone NEG":"21867","Hgd82.1 + Nitisinone NEG":"48514","Hgd82.2 + Nitisinone NEG":"63018","Hgd83.1 + Nitisinone NEG":"17879","Hgd83.2 - No treatment NEG":"43690","Hgd80.3 - No treatment NEG":"15494","Hgd80.4 - No treatment NEG":"28961","Hgd81.4 - No treatment NEG":"14809","Hgd81.5 - No treatment NEG":"31800","Hgd81.6 - No treatment NEG":"27553","Hgd82.3 - No treatment NEG":"19485","Hgd82.4 - No treatment NEG":"44167","Hgd83.3 - No treatment NEG":"29256","Hgd83.4 - No treatment NEG":"32284"},{"Metabolite":"D-(-)-Lyxose","Hgd81.1 + Nitisinone NEG":"278483","Hgd81.2 + Nitisinone NEG":"163289","Hgd81.3 + Nitisinone NEG":"181334","Hgd82.1 + Nitisinone NEG":"201718","Hgd82.2 + Nitisinone NEG":"245345","Hgd83.1 + Nitisinone NEG":"187892","Hgd83.2 - No treatment NEG":"206847","Hgd80.3 - No treatment NEG":"235213","Hgd80.4 - No treatment NEG":"199127","Hgd81.4 - No treatment NEG":"244772","Hgd81.5 - No treatment NEG":"322068","Hgd81.6 - No treatment NEG":"224985","Hgd82.3 - No treatment NEG":"216133","Hgd82.4 - No treatment NEG":"197387","Hgd83.3 - No treatment NEG":"244992","Hgd83.4 - No treatment NEG":"346072"},{"Metabolite":"Hippuric acid","Hgd81.1 + Nitisinone NEG":"2412","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"1","Hgd82.1 + Nitisinone NEG":"5434","Hgd82.2 + Nitisinone NEG":"3354","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"3028","Hgd80.3 - No treatment NEG":"3474","Hgd80.4 - No treatment NEG":"3182","Hgd81.4 - No treatment NEG":"600","Hgd81.5 - No treatment NEG":"15233","Hgd81.6 - No treatment NEG":"4499","Hgd82.3 - No treatment NEG":"1144","Hgd82.4 - No treatment NEG":"4175","Hgd83.3 - No treatment NEG":"1","Hgd83.4 - No treatment NEG":"2190"},{"Metabolite":"Uridine monophosphate (UMP)","Hgd81.1 + Nitisinone NEG":"1","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"1","Hgd82.1 + Nitisinone NEG":"30086","Hgd82.2 + Nitisinone NEG":"7092","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"1","Hgd80.3 - No treatment NEG":"10320","Hgd80.4 - No treatment NEG":"121338","Hgd81.4 - No treatment NEG":"1","Hgd81.5 - No treatment NEG":"3706","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"1","Hgd82.4 - No treatment NEG":"11672","Hgd83.3 - No treatment NEG":"1","Hgd83.4 - No treatment NEG":"1725"},{"Metabolite":"Methyl jasmonate","Hgd81.1 + Nitisinone NEG":"8881","Hgd81.2 + Nitisinone NEG":"13159","Hgd81.3 + Nitisinone NEG":"10510","Hgd82.1 + Nitisinone NEG":"8229","Hgd82.2 + Nitisinone NEG":"12124","Hgd83.1 + Nitisinone NEG":"11495","Hgd83.2 - No treatment NEG":"10983","Hgd80.3 - No treatment NEG":"10348","Hgd80.4 - No treatment NEG":"8196","Hgd81.4 - No treatment NEG":"10797","Hgd81.5 - No treatment NEG":"10048","Hgd81.6 - No treatment NEG":"14307","Hgd82.3 - No treatment NEG":"13706","Hgd82.4 - No treatment NEG":"4872","Hgd83.3 - No treatment NEG":"11810","Hgd83.4 - No treatment NEG":"9912"},{"Metabolite":"Dulcitol","Hgd81.1 + Nitisinone NEG":"55303","Hgd81.2 + Nitisinone NEG":"27062","Hgd81.3 + Nitisinone NEG":"29867","Hgd82.1 + Nitisinone NEG":"46732","Hgd82.2 + Nitisinone NEG":"41499","Hgd83.1 + Nitisinone NEG":"45039","Hgd83.2 - No treatment NEG":"35229","Hgd80.3 - No treatment NEG":"54540","Hgd80.4 - No treatment NEG":"44443","Hgd81.4 - No treatment NEG":"40408","Hgd81.5 - No treatment NEG":"148242","Hgd81.6 - No treatment NEG":"47346","Hgd82.3 - No treatment NEG":"32609","Hgd82.4 - No treatment NEG":"41290","Hgd83.3 - No treatment NEG":"43610","Hgd83.4 - No treatment NEG":"32190"},{"Metabolite":"Galactaric acid","Hgd81.1 + Nitisinone NEG":"48382","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"1","Hgd82.1 + Nitisinone NEG":"69057","Hgd82.2 + Nitisinone NEG":"1","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - 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No treatment NEG":"815486","Hgd80.3 - No treatment NEG":"711909","Hgd80.4 - No treatment NEG":"684307","Hgd81.4 - No treatment NEG":"600007","Hgd81.5 - No treatment NEG":"847670","Hgd81.6 - No treatment NEG":"727415","Hgd82.3 - No treatment NEG":"667770","Hgd82.4 - No treatment NEG":"856116","Hgd83.3 - No treatment NEG":"737045","Hgd83.4 - No treatment NEG":"779124"},{"Metabolite":"Phosphocreatine","Hgd81.1 + Nitisinone NEG":"17913","Hgd81.2 + Nitisinone NEG":"12358","Hgd81.3 + Nitisinone NEG":"1","Hgd82.1 + Nitisinone NEG":"22265","Hgd82.2 + Nitisinone NEG":"1","Hgd83.1 + Nitisinone NEG":"15307","Hgd83.2 - No treatment NEG":"18793","Hgd80.3 - No treatment NEG":"25432","Hgd80.4 - No treatment NEG":"25971","Hgd81.4 - No treatment NEG":"19550","Hgd81.5 - No treatment NEG":"20785","Hgd81.6 - No treatment NEG":"18714","Hgd82.3 - No treatment NEG":"37834","Hgd82.4 - No treatment NEG":"21835","Hgd83.3 - No treatment NEG":"21115","Hgd83.4 - No treatment NEG":"25110"},{"Metabolite":"Thymidine","Hgd81.1 + Nitisinone NEG":"7050","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"5108","Hgd82.1 + Nitisinone NEG":"7456","Hgd82.2 + Nitisinone NEG":"7577","Hgd83.1 + Nitisinone NEG":"7567","Hgd83.2 - No treatment NEG":"7607","Hgd80.3 - No treatment NEG":"5855","Hgd80.4 - No treatment NEG":"1","Hgd81.4 - No treatment NEG":"5865","Hgd81.5 - No treatment NEG":"6233","Hgd81.6 - No treatment NEG":"6457","Hgd82.3 - No treatment NEG":"7059","Hgd82.4 - No treatment NEG":"7469","Hgd83.3 - No treatment NEG":"6903","Hgd83.4 - No treatment NEG":"7760"},{"Metabolite":"Orotic acid","Hgd81.1 + Nitisinone NEG":"130834","Hgd81.2 + Nitisinone NEG":"78807","Hgd81.3 + Nitisinone NEG":"79097","Hgd82.1 + Nitisinone NEG":"66028","Hgd82.2 + Nitisinone NEG":"78837","Hgd83.1 + Nitisinone NEG":"79447","Hgd83.2 - No treatment NEG":"106516","Hgd80.3 - No treatment NEG":"120671","Hgd80.4 - No treatment NEG":"98824","Hgd81.4 - No treatment NEG":"131426","Hgd81.5 - No treatment NEG":"110715","Hgd81.6 - No treatment NEG":"101884","Hgd82.3 - No treatment NEG":"130432","Hgd82.4 - No treatment NEG":"104003","Hgd83.3 - No treatment NEG":"105175","Hgd83.4 - No treatment NEG":"144899"},{"Metabolite":"Uric acid","Hgd81.1 + Nitisinone NEG":"260623","Hgd81.2 + Nitisinone NEG":"166502","Hgd81.3 + Nitisinone NEG":"234730","Hgd82.1 + Nitisinone NEG":"218442","Hgd82.2 + Nitisinone NEG":"245572","Hgd83.1 + Nitisinone NEG":"241133","Hgd83.2 - No treatment NEG":"253019","Hgd80.3 - No treatment NEG":"236867","Hgd80.4 - No treatment NEG":"202750","Hgd81.4 - No treatment NEG":"198674","Hgd81.5 - No treatment NEG":"261913","Hgd81.6 - No treatment NEG":"239876","Hgd82.3 - No treatment NEG":"222290","Hgd82.4 - No treatment NEG":"152171","Hgd83.3 - No treatment NEG":"270200","Hgd83.4 - No treatment NEG":"293044"},{"Metabolite":"Gluconic acid","Hgd81.1 + Nitisinone NEG":"1390079","Hgd81.2 + Nitisinone NEG":"672667","Hgd81.3 + Nitisinone NEG":"920394","Hgd82.1 + Nitisinone NEG":"1456643","Hgd82.2 + Nitisinone NEG":"1473088","Hgd83.1 + Nitisinone NEG":"1241182","Hgd83.2 - No treatment NEG":"1178866","Hgd80.3 - No treatment NEG":"1638406","Hgd80.4 - No treatment NEG":"1205748","Hgd81.4 - No treatment NEG":"1225294","Hgd81.5 - No treatment NEG":"1435025","Hgd81.6 - No treatment NEG":"1225167","Hgd82.3 - No treatment NEG":"1474564","Hgd82.4 - No treatment NEG":"1568685","Hgd83.3 - No treatment NEG":"1499215","Hgd83.4 - No treatment NEG":"1314853"},{"Metabolite":"Aceturic acid","Hgd81.1 + Nitisinone NEG":"11347","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"1","Hgd82.1 + Nitisinone NEG":"1","Hgd82.2 + Nitisinone NEG":"1","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - 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No treatment NEG":"38620","Hgd80.3 - No treatment NEG":"30869","Hgd80.4 - No treatment NEG":"33063","Hgd81.4 - No treatment NEG":"24125","Hgd81.5 - No treatment NEG":"40285","Hgd81.6 - No treatment NEG":"32731","Hgd82.3 - No treatment NEG":"14159","Hgd82.4 - No treatment NEG":"29862","Hgd83.3 - No treatment NEG":"32632","Hgd83.4 - No treatment NEG":"43392"},{"Metabolite":"Cytidine","Hgd81.1 + Nitisinone NEG":"16632","Hgd81.2 + Nitisinone NEG":"11513","Hgd81.3 + Nitisinone NEG":"14980","Hgd82.1 + Nitisinone NEG":"18469","Hgd82.2 + Nitisinone NEG":"19805","Hgd83.1 + Nitisinone NEG":"17800","Hgd83.2 - No treatment NEG":"18307","Hgd80.3 - No treatment NEG":"15140","Hgd80.4 - No treatment NEG":"12932","Hgd81.4 - No treatment NEG":"15297","Hgd81.5 - No treatment NEG":"16479","Hgd81.6 - No treatment NEG":"17222","Hgd82.3 - No treatment NEG":"14221","Hgd82.4 - No treatment NEG":"18985","Hgd83.3 - No treatment NEG":"16382","Hgd83.4 - No treatment NEG":"15694"},{"Metabolite":"L-Threonine","Hgd81.1 + Nitisinone NEG":"48560","Hgd81.2 + Nitisinone NEG":"117283","Hgd81.3 + Nitisinone NEG":"95799","Hgd82.1 + Nitisinone NEG":"43820","Hgd82.2 + Nitisinone NEG":"63163","Hgd83.1 + Nitisinone NEG":"62046","Hgd83.2 - No treatment NEG":"66332","Hgd80.3 - No treatment NEG":"63431","Hgd80.4 - No treatment NEG":"55995","Hgd81.4 - No treatment NEG":"54300","Hgd81.5 - No treatment NEG":"63861","Hgd81.6 - No treatment NEG":"64302","Hgd82.3 - No treatment NEG":"33153","Hgd82.4 - No treatment NEG":"52984","Hgd83.3 - No treatment NEG":"78782","Hgd83.4 - No treatment NEG":"87400"},{"Metabolite":"4-Hydroxyphenyllactic acid","Hgd81.1 + Nitisinone NEG":"1376458","Hgd81.2 + Nitisinone NEG":"536068","Hgd81.3 + Nitisinone NEG":"604074","Hgd82.1 + Nitisinone NEG":"1298520","Hgd82.2 + Nitisinone NEG":"811041","Hgd83.1 + Nitisinone NEG":"865084","Hgd83.2 - No treatment NEG":"978715","Hgd80.3 - No treatment NEG":"30188","Hgd80.4 - No treatment NEG":"32308","Hgd81.4 - No treatment NEG":"29815","Hgd81.5 - No treatment NEG":"34761","Hgd81.6 - No treatment NEG":"38660","Hgd82.3 - No treatment NEG":"42736","Hgd82.4 - No treatment NEG":"36405","Hgd83.3 - No treatment NEG":"44618","Hgd83.4 - No treatment NEG":"55018"},{"Metabolite":"Malic acid","Hgd81.1 + Nitisinone NEG":"825379","Hgd81.2 + Nitisinone NEG":"559524","Hgd81.3 + Nitisinone NEG":"1060503","Hgd82.1 + Nitisinone NEG":"3585395","Hgd82.2 + Nitisinone NEG":"2028170","Hgd83.1 + Nitisinone NEG":"949236","Hgd83.2 - No treatment NEG":"1855575","Hgd80.3 - No treatment NEG":"888399","Hgd80.4 - No treatment NEG":"979005","Hgd81.4 - No treatment NEG":"834057","Hgd81.5 - No treatment NEG":"1398644","Hgd81.6 - No treatment NEG":"2045739","Hgd82.3 - No treatment NEG":"1107212","Hgd82.4 - No treatment NEG":"2247099","Hgd83.3 - No treatment NEG":"1339087","Hgd83.4 - No treatment NEG":"1526760"},{"Metabolite":"L-Isoleucine","Hgd81.1 + Nitisinone NEG":"25892","Hgd81.2 + Nitisinone NEG":"18253","Hgd81.3 + Nitisinone NEG":"10342","Hgd82.1 + Nitisinone NEG":"47403","Hgd82.2 + Nitisinone NEG":"34682","Hgd83.1 + Nitisinone NEG":"29152","Hgd83.2 - No treatment NEG":"37252","Hgd80.3 - No treatment NEG":"31283","Hgd80.4 - No treatment NEG":"28531","Hgd81.4 - No treatment NEG":"26649","Hgd81.5 - No treatment NEG":"31988","Hgd81.6 - No treatment NEG":"31053","Hgd82.3 - No treatment NEG":"24939","Hgd82.4 - No treatment NEG":"14800","Hgd83.3 - No treatment NEG":"35529","Hgd83.4 - No treatment NEG":"36085"},{"Metabolite":"N-Acetyl-L-glutamic acid","Hgd81.1 + Nitisinone NEG":"1","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"1","Hgd82.1 + Nitisinone NEG":"1","Hgd82.2 + Nitisinone NEG":"1","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"1","Hgd80.3 - No treatment NEG":"1","Hgd80.4 - No treatment NEG":"1","Hgd81.4 - No treatment NEG":"1","Hgd81.5 - No treatment NEG":"1","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"1","Hgd82.4 - No treatment NEG":"23759","Hgd83.3 - No treatment NEG":"1","Hgd83.4 - No treatment NEG":"1"},{"Metabolite":"D-Mannitol","Hgd81.1 + Nitisinone NEG":"55303","Hgd81.2 + Nitisinone NEG":"27062","Hgd81.3 + Nitisinone NEG":"29867","Hgd82.1 + Nitisinone NEG":"46732","Hgd82.2 + Nitisinone NEG":"41499","Hgd83.1 + Nitisinone NEG":"45039","Hgd83.2 - No treatment NEG":"35229","Hgd80.3 - No treatment NEG":"54540","Hgd80.4 - No treatment NEG":"44443","Hgd81.4 - No treatment NEG":"40408","Hgd81.5 - No treatment NEG":"148242","Hgd81.6 - No treatment NEG":"47346","Hgd82.3 - No treatment NEG":"32609","Hgd82.4 - No treatment NEG":"41290","Hgd83.3 - No treatment NEG":"43610","Hgd83.4 - No treatment NEG":"32190"},{"Metabolite":"L-Aspartic Acid","Hgd81.1 + Nitisinone NEG":"114303","Hgd81.2 + Nitisinone NEG":"44461","Hgd81.3 + Nitisinone NEG":"79175","Hgd82.1 + Nitisinone NEG":"99559","Hgd82.2 + Nitisinone NEG":"101651","Hgd83.1 + Nitisinone NEG":"89570","Hgd83.2 - No treatment NEG":"94463","Hgd80.3 - No treatment NEG":"92501","Hgd80.4 - No treatment NEG":"1","Hgd81.4 - No treatment NEG":"78718","Hgd81.5 - No treatment NEG":"113746","Hgd81.6 - No treatment NEG":"78106","Hgd82.3 - No treatment NEG":"92289","Hgd82.4 - No treatment NEG":"116478","Hgd83.3 - No treatment NEG":"92698","Hgd83.4 - No treatment NEG":"135695"},{"Metabolite":"Myristic acid","Hgd81.1 + Nitisinone NEG":"1","Hgd81.2 + Nitisinone NEG":"2910","Hgd81.3 + Nitisinone NEG":"1","Hgd82.1 + Nitisinone NEG":"2618","Hgd82.2 + Nitisinone NEG":"1","Hgd83.1 + Nitisinone NEG":"2458","Hgd83.2 - No treatment NEG":"3000","Hgd80.3 - No treatment NEG":"1","Hgd80.4 - No treatment NEG":"1907","Hgd81.4 - No treatment NEG":"1","Hgd81.5 - No treatment NEG":"1","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"2671","Hgd82.4 - No treatment NEG":"5225","Hgd83.3 - No treatment NEG":"1","Hgd83.4 - No treatment NEG":"1"},{"Metabolite":"phosphoenol pyruvate","Hgd81.1 + Nitisinone NEG":"1","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"1","Hgd82.1 + Nitisinone NEG":"246210","Hgd82.2 + Nitisinone NEG":"42275","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"26911","Hgd80.3 - No treatment NEG":"31493","Hgd80.4 - No treatment NEG":"45026","Hgd81.4 - No treatment NEG":"29480","Hgd81.5 - No treatment NEG":"25286","Hgd81.6 - No treatment NEG":"19327","Hgd82.3 - No treatment NEG":"1","Hgd82.4 - No treatment NEG":"89739","Hgd83.3 - No treatment NEG":"35380","Hgd83.4 - No treatment NEG":"40275"},{"Metabolite":"Oxoglutaric acid","Hgd81.1 + Nitisinone NEG":"11050","Hgd81.2 + Nitisinone NEG":"10611","Hgd81.3 + Nitisinone NEG":"20916","Hgd82.1 + Nitisinone NEG":"37807","Hgd82.2 + Nitisinone NEG":"26686","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"9974","Hgd80.3 - No treatment NEG":"218196","Hgd80.4 - No treatment NEG":"61542","Hgd81.4 - No treatment NEG":"58659","Hgd81.5 - No treatment NEG":"15379","Hgd81.6 - No treatment NEG":"17825","Hgd82.3 - No treatment NEG":"17888","Hgd82.4 - No treatment NEG":"19536","Hgd83.3 - No treatment NEG":"60255","Hgd83.4 - No treatment NEG":"14341"},{"Metabolite":"Citric acid","Hgd81.1 + Nitisinone NEG":"2039994","Hgd81.2 + Nitisinone NEG":"2446245","Hgd81.3 + Nitisinone NEG":"2471211","Hgd82.1 + Nitisinone NEG":"3749292","Hgd82.2 + Nitisinone NEG":"4156968","Hgd83.1 + Nitisinone NEG":"2197859","Hgd83.2 - No treatment NEG":"3406313","Hgd80.3 - No treatment NEG":"2426531","Hgd80.4 - No treatment NEG":"2756584","Hgd81.4 - No treatment NEG":"2440273","Hgd81.5 - No treatment NEG":"3659776","Hgd81.6 - No treatment NEG":"3753129","Hgd82.3 - No treatment NEG":"5294389","Hgd82.4 - No treatment NEG":"4533789","Hgd83.3 - No treatment NEG":"2938319","Hgd83.4 - No treatment NEG":"3364858"},{"Metabolite":"Succinic acid","Hgd81.1 + Nitisinone NEG":"261864","Hgd81.2 + Nitisinone NEG":"204846","Hgd81.3 + Nitisinone NEG":"348569","Hgd82.1 + Nitisinone NEG":"700447","Hgd82.2 + Nitisinone NEG":"811825","Hgd83.1 + Nitisinone NEG":"319805","Hgd83.2 - No treatment NEG":"674079","Hgd80.3 - No treatment NEG":"199920","Hgd80.4 - No treatment NEG":"319347","Hgd81.4 - No treatment NEG":"203442","Hgd81.5 - No treatment NEG":"417370","Hgd81.6 - No treatment NEG":"406116","Hgd82.3 - No treatment NEG":"235224","Hgd82.4 - No treatment NEG":"711046","Hgd83.3 - No treatment NEG":"437307","Hgd83.4 - No treatment NEG":"402747"},{"Metabolite":"Methyl N-(a-methylbutyryl)glycine","Hgd81.1 + Nitisinone NEG":"34583","Hgd81.2 + Nitisinone NEG":"32491","Hgd81.3 + Nitisinone NEG":"288107","Hgd82.1 + Nitisinone NEG":"84954","Hgd82.2 + Nitisinone NEG":"59610","Hgd83.1 + Nitisinone NEG":"84977","Hgd83.2 - No treatment NEG":"595783","Hgd80.3 - No treatment NEG":"49514","Hgd80.4 - No treatment NEG":"39168","Hgd81.4 - No treatment NEG":"55642","Hgd81.5 - No treatment NEG":"74959","Hgd81.6 - No treatment NEG":"61644","Hgd82.3 - No treatment NEG":"828908","Hgd82.4 - No treatment NEG":"154006","Hgd83.3 - No treatment NEG":"62365","Hgd83.4 - No treatment NEG":"72866"},{"Metabolite":"D-Aspartic acid","Hgd81.1 + Nitisinone NEG":"114635","Hgd81.2 + Nitisinone NEG":"44633","Hgd81.3 + Nitisinone NEG":"79627","Hgd82.1 + Nitisinone NEG":"100265","Hgd82.2 + Nitisinone NEG":"102256","Hgd83.1 + Nitisinone NEG":"89703","Hgd83.2 - No treatment NEG":"94894","Hgd80.3 - No treatment NEG":"92550","Hgd80.4 - No treatment NEG":"1","Hgd81.4 - No treatment NEG":"78718","Hgd81.5 - No treatment NEG":"114250","Hgd81.6 - No treatment NEG":"78649","Hgd82.3 - No treatment NEG":"92511","Hgd82.4 - No treatment NEG":"117101","Hgd83.3 - No treatment NEG":"92897","Hgd83.4 - No treatment NEG":"136217"},{"Metabolite":"12-Hydroxydodecanoic acid","Hgd81.1 + Nitisinone NEG":"1","Hgd81.2 + Nitisinone NEG":"6698","Hgd81.3 + Nitisinone NEG":"15217","Hgd82.1 + Nitisinone NEG":"5546","Hgd82.2 + Nitisinone NEG":"7639","Hgd83.1 + Nitisinone NEG":"7047","Hgd83.2 - No treatment NEG":"25442","Hgd80.3 - No treatment NEG":"5000","Hgd80.4 - No treatment NEG":"1","Hgd81.4 - No treatment NEG":"1","Hgd81.5 - No treatment NEG":"1","Hgd81.6 - No treatment NEG":"4608","Hgd82.3 - No treatment NEG":"13909","Hgd82.4 - No treatment NEG":"10171","Hgd83.3 - No treatment NEG":"1","Hgd83.4 - No treatment NEG":"4799"},{"Metabolite":"Pantothenic Acid","Hgd81.1 + Nitisinone NEG":"450261","Hgd81.2 + Nitisinone NEG":"269316","Hgd81.3 + Nitisinone NEG":"335589","Hgd82.1 + Nitisinone NEG":"314520","Hgd82.2 + Nitisinone NEG":"320484","Hgd83.1 + Nitisinone NEG":"560943","Hgd83.2 - No treatment NEG":"582807","Hgd80.3 - No treatment NEG":"505320","Hgd80.4 - No treatment NEG":"552106","Hgd81.4 - No treatment NEG":"532948","Hgd81.5 - No treatment NEG":"609399","Hgd81.6 - No treatment NEG":"481084","Hgd82.3 - No treatment NEG":"264297","Hgd82.4 - No treatment NEG":"311180","Hgd83.3 - No treatment NEG":"647807","Hgd83.4 - No treatment NEG":"665806"},{"Metabolite":"Dehydroascorbic acid","Hgd81.1 + Nitisinone NEG":"53897","Hgd81.2 + Nitisinone NEG":"18043","Hgd81.3 + Nitisinone NEG":"36011","Hgd82.1 + Nitisinone NEG":"1","Hgd82.2 + Nitisinone NEG":"33845","Hgd83.1 + Nitisinone NEG":"42492","Hgd83.2 - No treatment NEG":"49049","Hgd80.3 - No treatment NEG":"40601","Hgd80.4 - No treatment NEG":"20216","Hgd81.4 - No treatment NEG":"22724","Hgd81.5 - No treatment NEG":"61738","Hgd81.6 - No treatment NEG":"36802","Hgd82.3 - No treatment NEG":"46718","Hgd82.4 - No treatment NEG":"12208","Hgd83.3 - No treatment NEG":"47105","Hgd83.4 - No treatment NEG":"54602"},{"Metabolite":"Glutamine","Hgd81.1 + Nitisinone NEG":"1688220","Hgd81.2 + Nitisinone NEG":"1453556","Hgd81.3 + Nitisinone NEG":"1616356","Hgd82.1 + Nitisinone NEG":"1447027","Hgd82.2 + Nitisinone NEG":"1819199","Hgd83.1 + Nitisinone NEG":"1555354","Hgd83.2 - No treatment NEG":"1639762","Hgd80.3 - No treatment NEG":"1795624","Hgd80.4 - No treatment NEG":"1694370","Hgd81.4 - No treatment NEG":"1492094","Hgd81.5 - No treatment NEG":"1696140","Hgd81.6 - No treatment NEG":"1605798","Hgd82.3 - No treatment NEG":"1485114","Hgd82.4 - No treatment NEG":"1702206","Hgd83.3 - No treatment NEG":"1810762","Hgd83.4 - No treatment NEG":"1652460"},{"Metabolite":"Arabinose","Hgd81.1 + Nitisinone NEG":"278482","Hgd81.2 + Nitisinone NEG":"163289","Hgd81.3 + Nitisinone NEG":"181334","Hgd82.1 + Nitisinone NEG":"201718","Hgd82.2 + Nitisinone NEG":"245345","Hgd83.1 + Nitisinone NEG":"187892","Hgd83.2 - No treatment NEG":"206850","Hgd80.3 - No treatment NEG":"235213","Hgd80.4 - No treatment NEG":"199127","Hgd81.4 - No treatment NEG":"244772","Hgd81.5 - No treatment NEG":"322068","Hgd81.6 - No treatment NEG":"224985","Hgd82.3 - No treatment NEG":"216133","Hgd82.4 - No treatment NEG":"197387","Hgd83.3 - No treatment NEG":"244992","Hgd83.4 - No treatment NEG":"346072"},{"Metabolite":"Palmitic acid","Hgd81.1 + Nitisinone NEG":"34909","Hgd81.2 + Nitisinone NEG":"35665","Hgd81.3 + Nitisinone NEG":"34944","Hgd82.1 + Nitisinone NEG":"44299","Hgd82.2 + Nitisinone NEG":"47212","Hgd83.1 + Nitisinone NEG":"41272","Hgd83.2 - No treatment NEG":"39666","Hgd80.3 - No treatment NEG":"40482","Hgd80.4 - No treatment NEG":"41344","Hgd81.4 - No treatment NEG":"36536","Hgd81.5 - No treatment NEG":"37368","Hgd81.6 - No treatment NEG":"38499","Hgd82.3 - No treatment NEG":"36586","Hgd82.4 - No treatment NEG":"51786","Hgd83.3 - No treatment NEG":"38053","Hgd83.4 - No treatment NEG":"37278"},{"Metabolite":"Itaconic acid","Hgd81.1 + Nitisinone NEG":"16775","Hgd81.2 + Nitisinone NEG":"17403","Hgd81.3 + Nitisinone NEG":"18824","Hgd82.1 + Nitisinone NEG":"24675","Hgd82.2 + Nitisinone NEG":"25646","Hgd83.1 + Nitisinone NEG":"26541","Hgd83.2 - No treatment NEG":"26347","Hgd80.3 - No treatment NEG":"17191","Hgd80.4 - No treatment NEG":"15951","Hgd81.4 - No treatment NEG":"16895","Hgd81.5 - No treatment NEG":"11471","Hgd81.6 - No treatment NEG":"29083","Hgd82.3 - No treatment NEG":"26193","Hgd82.4 - No treatment NEG":"17821","Hgd83.3 - No treatment NEG":"21518","Hgd83.4 - No treatment NEG":"20265"},{"Metabolite":"DL-a-Hydroxybutyric acid","Hgd81.1 + Nitisinone NEG":"24167","Hgd81.2 + Nitisinone NEG":"75119","Hgd81.3 + Nitisinone NEG":"27120","Hgd82.1 + Nitisinone NEG":"68574","Hgd82.2 + Nitisinone NEG":"99855","Hgd83.1 + Nitisinone NEG":"27156","Hgd83.2 - No treatment NEG":"48896","Hgd80.3 - No treatment NEG":"23890","Hgd80.4 - No treatment NEG":"52315","Hgd81.4 - No treatment NEG":"36367","Hgd81.5 - No treatment NEG":"58498","Hgd81.6 - No treatment NEG":"50304","Hgd82.3 - No treatment NEG":"52586","Hgd82.4 - No treatment NEG":"100495","Hgd83.3 - No treatment NEG":"27376","Hgd83.4 - No treatment NEG":"39148"},{"Metabolite":"Adenosine5'-monophosphate","Hgd81.1 + Nitisinone NEG":"1","Hgd81.2 + Nitisinone NEG":"5824","Hgd81.3 + Nitisinone NEG":"45308","Hgd82.1 + Nitisinone NEG":"396358","Hgd82.2 + Nitisinone NEG":"30994","Hgd83.1 + Nitisinone NEG":"12303","Hgd83.2 - No treatment NEG":"7965","Hgd80.3 - No treatment NEG":"26690","Hgd80.4 - No treatment NEG":"95369","Hgd81.4 - No treatment NEG":"23480","Hgd81.5 - No treatment NEG":"17710","Hgd81.6 - No treatment NEG":"4715","Hgd82.3 - No treatment NEG":"18060","Hgd82.4 - No treatment NEG":"169935","Hgd83.3 - No treatment NEG":"7567","Hgd83.4 - No treatment NEG":"11444"},{"Metabolite":"D-Mannose 6-phosphate","Hgd81.1 + Nitisinone NEG":"8969","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"35419","Hgd82.1 + Nitisinone NEG":"114088","Hgd82.2 + Nitisinone NEG":"40176","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"27439","Hgd80.3 - No treatment NEG":"1","Hgd80.4 - No treatment NEG":"41603","Hgd81.4 - No treatment NEG":"13533","Hgd81.5 - No treatment NEG":"29840","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"1","Hgd82.4 - No treatment NEG":"44126","Hgd83.3 - No treatment NEG":"10400","Hgd83.4 - No treatment NEG":"1"},{"Metabolite":"Dihydroxyacetone phosphate","Hgd81.1 + Nitisinone NEG":"1","Hgd81.2 + Nitisinone NEG":"29206","Hgd81.3 + Nitisinone NEG":"22413","Hgd82.1 + Nitisinone NEG":"191209","Hgd82.2 + Nitisinone NEG":"21096","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"23609","Hgd80.3 - No treatment NEG":"1","Hgd80.4 - No treatment NEG":"1","Hgd81.4 - No treatment NEG":"1","Hgd81.5 - No treatment NEG":"4013","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"1","Hgd82.4 - No treatment NEG":"53487","Hgd83.3 - No treatment NEG":"1","Hgd83.4 - No treatment NEG":"1"},{"Metabolite":"a-N-Acetylglucosamine","Hgd81.1 + Nitisinone NEG":"1","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"1","Hgd82.1 + Nitisinone NEG":"8477","Hgd82.2 + Nitisinone NEG":"1","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"1","Hgd80.3 - No treatment NEG":"1","Hgd80.4 - No treatment NEG":"8285","Hgd81.4 - No treatment NEG":"8124","Hgd81.5 - No treatment NEG":"1","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"1","Hgd82.4 - No treatment NEG":"8202","Hgd83.3 - No treatment NEG":"1","Hgd83.4 - No treatment NEG":"1"},{"Metabolite":"N-Acetyl-DL-serine","Hgd81.1 + Nitisinone NEG":"267193","Hgd81.2 + Nitisinone NEG":"109833","Hgd81.3 + Nitisinone NEG":"150007","Hgd82.1 + Nitisinone NEG":"101758","Hgd82.2 + Nitisinone NEG":"119872","Hgd83.1 + Nitisinone NEG":"215604","Hgd83.2 - No treatment NEG":"207582","Hgd80.3 - No treatment NEG":"186052","Hgd80.4 - No treatment NEG":"140090","Hgd81.4 - No treatment NEG":"176672","Hgd81.5 - No treatment NEG":"183125","Hgd81.6 - No treatment NEG":"166533","Hgd82.3 - No treatment NEG":"188559","Hgd82.4 - No treatment NEG":"183457","Hgd83.3 - No treatment NEG":"222128","Hgd83.4 - No treatment NEG":"247464"},{"Metabolite":"Linoleic acid","Hgd81.1 + Nitisinone NEG":"14059","Hgd81.2 + Nitisinone NEG":"19087","Hgd81.3 + Nitisinone NEG":"16661","Hgd82.1 + Nitisinone NEG":"42002","Hgd82.2 + Nitisinone NEG":"15802","Hgd83.1 + Nitisinone NEG":"15811","Hgd83.2 - No treatment NEG":"23173","Hgd80.3 - No treatment NEG":"22093","Hgd80.4 - No treatment NEG":"33321","Hgd81.4 - No treatment NEG":"15774","Hgd81.5 - No treatment NEG":"14762","Hgd81.6 - No treatment NEG":"20432","Hgd82.3 - No treatment NEG":"26726","Hgd82.4 - No treatment NEG":"70706","Hgd83.3 - No treatment NEG":"15682","Hgd83.4 - No treatment NEG":"16625"},{"Metabolite":"L-Anserine","Hgd81.1 + Nitisinone NEG":"23065","Hgd81.2 + Nitisinone NEG":"9103","Hgd81.3 + Nitisinone NEG":"9280","Hgd82.1 + Nitisinone NEG":"25784","Hgd82.2 + Nitisinone NEG":"13020","Hgd83.1 + Nitisinone NEG":"16788","Hgd83.2 - No treatment NEG":"21182","Hgd80.3 - No treatment NEG":"21669","Hgd80.4 - No treatment NEG":"18627","Hgd81.4 - No treatment NEG":"16612","Hgd81.5 - No treatment NEG":"21861","Hgd81.6 - No treatment NEG":"16405","Hgd82.3 - No treatment NEG":"20501","Hgd82.4 - No treatment NEG":"18328","Hgd83.3 - No treatment NEG":"22659","Hgd83.4 - No treatment NEG":"22332"},{"Metabolite":"D-Fructose 6-phosphate","Hgd81.1 + Nitisinone NEG":"8969","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"35419","Hgd82.1 + Nitisinone NEG":"114088","Hgd82.2 + Nitisinone NEG":"40176","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"27439","Hgd80.3 - No treatment NEG":"1","Hgd80.4 - No treatment NEG":"41603","Hgd81.4 - No treatment NEG":"13533","Hgd81.5 - No treatment NEG":"29840","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"1","Hgd82.4 - No treatment NEG":"44126","Hgd83.3 - No treatment NEG":"10400","Hgd83.4 - No treatment NEG":"1"},{"Metabolite":"Maleic acid","Hgd81.1 + Nitisinone NEG":"26932","Hgd81.2 + Nitisinone NEG":"33022","Hgd81.3 + Nitisinone NEG":"30552","Hgd82.1 + Nitisinone NEG":"24647","Hgd82.2 + Nitisinone NEG":"54659","Hgd83.1 + Nitisinone NEG":"61853","Hgd83.2 - No treatment NEG":"48042","Hgd80.3 - No treatment NEG":"36833","Hgd80.4 - No treatment NEG":"27130","Hgd81.4 - No treatment NEG":"31288","Hgd81.5 - No treatment NEG":"1","Hgd81.6 - No treatment NEG":"48684","Hgd82.3 - No treatment NEG":"38852","Hgd82.4 - No treatment NEG":"37116","Hgd83.3 - No treatment NEG":"31762","Hgd83.4 - No treatment NEG":"52326"},{"Metabolite":"Pimelic acid","Hgd81.1 + Nitisinone NEG":"1","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"18312","Hgd82.1 + Nitisinone NEG":"1","Hgd82.2 + Nitisinone NEG":"1","Hgd83.1 + Nitisinone NEG":"6219","Hgd83.2 - No treatment NEG":"36522","Hgd80.3 - No treatment NEG":"1","Hgd80.4 - No treatment NEG":"1","Hgd81.4 - No treatment NEG":"1","Hgd81.5 - No treatment NEG":"5040","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"15589","Hgd82.4 - No treatment NEG":"11247","Hgd83.3 - No treatment NEG":"1","Hgd83.4 - No treatment NEG":"7799"},{"Metabolite":"Suberic acid","Hgd81.1 + Nitisinone NEG":"16537","Hgd81.2 + Nitisinone NEG":"13107","Hgd81.3 + Nitisinone NEG":"96177","Hgd82.1 + Nitisinone NEG":"27733","Hgd82.2 + Nitisinone NEG":"22775","Hgd83.1 + Nitisinone NEG":"24653","Hgd83.2 - No treatment NEG":"168704","Hgd80.3 - No treatment NEG":"19923","Hgd80.4 - No treatment NEG":"17174","Hgd81.4 - No treatment NEG":"23032","Hgd81.5 - No treatment NEG":"29458","Hgd81.6 - No treatment NEG":"19621","Hgd82.3 - No treatment NEG":"69454","Hgd82.4 - No treatment NEG":"49335","Hgd83.3 - No treatment NEG":"24327","Hgd83.4 - No treatment NEG":"25998"},{"Metabolite":"tartaric acid","Hgd81.1 + Nitisinone NEG":"1","Hgd81.2 + Nitisinone NEG":"21326","Hgd81.3 + Nitisinone NEG":"37919","Hgd82.1 + Nitisinone NEG":"114442","Hgd82.2 + Nitisinone NEG":"27532","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"1","Hgd80.3 - No treatment NEG":"97576","Hgd80.4 - No treatment NEG":"227109","Hgd81.4 - No treatment NEG":"32080","Hgd81.5 - No treatment NEG":"37255","Hgd81.6 - No treatment NEG":"48418","Hgd82.3 - No treatment NEG":"39909","Hgd82.4 - No treatment NEG":"112178","Hgd83.3 - No treatment NEG":"1","Hgd83.4 - No treatment NEG":"1"},{"Metabolite":"D-Ribose","Hgd81.1 + Nitisinone NEG":"278479","Hgd81.2 + Nitisinone NEG":"163289","Hgd81.3 + Nitisinone NEG":"181334","Hgd82.1 + Nitisinone NEG":"201718","Hgd82.2 + Nitisinone NEG":"245345","Hgd83.1 + Nitisinone NEG":"187892","Hgd83.2 - No treatment NEG":"206866","Hgd80.3 - No treatment NEG":"235213","Hgd80.4 - No treatment NEG":"199127","Hgd81.4 - No treatment NEG":"244772","Hgd81.5 - No treatment NEG":"322068","Hgd81.6 - No treatment NEG":"224985","Hgd82.3 - No treatment NEG":"216133","Hgd82.4 - No treatment NEG":"197387","Hgd83.3 - No treatment NEG":"244992","Hgd83.4 - No treatment NEG":"346072"},{"Metabolite":"?-D-Glucose 1-phosphate","Hgd81.1 + Nitisinone NEG":"8969","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"35419","Hgd82.1 + Nitisinone NEG":"114088","Hgd82.2 + Nitisinone NEG":"40176","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"27439","Hgd80.3 - No treatment NEG":"1","Hgd80.4 - No treatment NEG":"41603","Hgd81.4 - No treatment NEG":"13533","Hgd81.5 - No treatment NEG":"29840","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"1","Hgd82.4 - No treatment NEG":"44126","Hgd83.3 - No treatment NEG":"10400","Hgd83.4 - No treatment NEG":"1"},{"Metabolite":"Xanthine","Hgd81.1 + Nitisinone NEG":"515121","Hgd81.2 + Nitisinone NEG":"273122","Hgd81.3 + Nitisinone NEG":"462125","Hgd82.1 + Nitisinone NEG":"591375","Hgd82.2 + Nitisinone NEG":"568278","Hgd83.1 + Nitisinone NEG":"459478","Hgd83.2 - No treatment NEG":"486384","Hgd80.3 - No treatment NEG":"409252","Hgd80.4 - No treatment NEG":"383343","Hgd81.4 - No treatment NEG":"340912","Hgd81.5 - No treatment NEG":"465477","Hgd81.6 - No treatment NEG":"466259","Hgd82.3 - No treatment NEG":"446330","Hgd82.4 - No treatment NEG":"508223","Hgd83.3 - No treatment NEG":"430102","Hgd83.4 - No treatment NEG":"353640"},{"Metabolite":"Glyceryl phosphate","Hgd81.1 + Nitisinone NEG":"265991","Hgd81.2 + Nitisinone NEG":"241780","Hgd81.3 + Nitisinone NEG":"395647","Hgd82.1 + Nitisinone NEG":"495986","Hgd82.2 + Nitisinone NEG":"461139","Hgd83.1 + Nitisinone NEG":"273197","Hgd83.2 - No treatment NEG":"286019","Hgd80.3 - No treatment NEG":"400200","Hgd80.4 - No treatment NEG":"365513","Hgd81.4 - No treatment NEG":"263601","Hgd81.5 - No treatment NEG":"347804","Hgd81.6 - No treatment NEG":"376373","Hgd82.3 - No treatment NEG":"197980","Hgd82.4 - No treatment NEG":"481055","Hgd83.3 - No treatment NEG":"324324","Hgd83.4 - No treatment NEG":"301046"},{"Metabolite":"L-Norleucine","Hgd81.1 + Nitisinone NEG":"25849","Hgd81.2 + Nitisinone NEG":"18253","Hgd81.3 + Nitisinone NEG":"10342","Hgd82.1 + Nitisinone NEG":"47403","Hgd82.2 + Nitisinone NEG":"34682","Hgd83.1 + Nitisinone NEG":"29152","Hgd83.2 - No treatment NEG":"37252","Hgd80.3 - No treatment NEG":"31102","Hgd80.4 - No treatment NEG":"28552","Hgd81.4 - No treatment NEG":"26649","Hgd81.5 - No treatment NEG":"32009","Hgd81.6 - No treatment NEG":"31082","Hgd82.3 - No treatment NEG":"24954","Hgd82.4 - No treatment NEG":"14800","Hgd83.3 - No treatment NEG":"35507","Hgd83.4 - No treatment NEG":"36122"},{"Metabolite":"L-Serine","Hgd81.1 + Nitisinone NEG":"26769","Hgd81.2 + Nitisinone NEG":"60674","Hgd81.3 + Nitisinone NEG":"49098","Hgd82.1 + Nitisinone NEG":"26684","Hgd82.2 + Nitisinone NEG":"37131","Hgd83.1 + Nitisinone NEG":"32851","Hgd83.2 - No treatment NEG":"29564","Hgd80.3 - No treatment NEG":"29476","Hgd80.4 - No treatment NEG":"24545","Hgd81.4 - No treatment NEG":"33000","Hgd81.5 - No treatment NEG":"31137","Hgd81.6 - No treatment NEG":"37984","Hgd82.3 - No treatment NEG":"19663","Hgd82.4 - No treatment NEG":"30071","Hgd83.3 - No treatment NEG":"42374","Hgd83.4 - No treatment NEG":"43469"},{"Metabolite":"Xanthosine","Hgd81.1 + Nitisinone NEG":"6821","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"1","Hgd82.1 + Nitisinone NEG":"6878","Hgd82.2 + Nitisinone NEG":"6115","Hgd83.1 + Nitisinone NEG":"5969","Hgd83.2 - 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No treatment NEG":"67188","Hgd80.3 - No treatment NEG":"65363","Hgd80.4 - No treatment NEG":"76034","Hgd81.4 - No treatment NEG":"60907","Hgd81.5 - No treatment NEG":"53296","Hgd81.6 - No treatment NEG":"61659","Hgd82.3 - No treatment NEG":"60182","Hgd82.4 - No treatment NEG":"112295","Hgd83.3 - No treatment NEG":"56588","Hgd83.4 - No treatment NEG":"57842"},{"Metabolite":"N-Acetyl-L-alanine","Hgd81.1 + Nitisinone NEG":"20352","Hgd81.2 + Nitisinone NEG":"11111","Hgd81.3 + Nitisinone NEG":"13453","Hgd82.1 + Nitisinone NEG":"22539","Hgd82.2 + Nitisinone NEG":"19069","Hgd83.1 + Nitisinone NEG":"16985","Hgd83.2 - No treatment NEG":"20914","Hgd80.3 - No treatment NEG":"16604","Hgd80.4 - No treatment NEG":"16445","Hgd81.4 - No treatment NEG":"16714","Hgd81.5 - No treatment NEG":"20535","Hgd81.6 - No treatment NEG":"19519","Hgd82.3 - No treatment NEG":"20102","Hgd82.4 - No treatment NEG":"21077","Hgd83.3 - No treatment NEG":"19894","Hgd83.4 - No treatment NEG":"18621"},{"Metabolite":"cis-9-palmitoleic acid","Hgd81.1 + Nitisinone NEG":"5747","Hgd81.2 + Nitisinone NEG":"10898","Hgd81.3 + Nitisinone NEG":"9344","Hgd82.1 + Nitisinone NEG":"16623","Hgd82.2 + Nitisinone NEG":"6601","Hgd83.1 + Nitisinone NEG":"9606","Hgd83.2 - No treatment NEG":"34882","Hgd80.3 - No treatment NEG":"6988","Hgd80.4 - No treatment NEG":"9842","Hgd81.4 - No treatment NEG":"7983","Hgd81.5 - No treatment NEG":"3897","Hgd81.6 - No treatment NEG":"7980","Hgd82.3 - No treatment NEG":"11279","Hgd82.4 - No treatment NEG":"39558","Hgd83.3 - No treatment NEG":"10665","Hgd83.4 - No treatment NEG":"9455"},{"Metabolite":"trans-Aconitate","Hgd81.1 + Nitisinone NEG":"226505","Hgd81.2 + Nitisinone NEG":"151786","Hgd81.3 + Nitisinone NEG":"190795","Hgd82.1 + Nitisinone NEG":"231769","Hgd82.2 + Nitisinone NEG":"401135","Hgd83.1 + Nitisinone NEG":"203920","Hgd83.2 - No treatment NEG":"234898","Hgd80.3 - No treatment NEG":"247130","Hgd80.4 - No treatment NEG":"309868","Hgd81.4 - No treatment NEG":"198857","Hgd81.5 - No treatment NEG":"322855","Hgd81.6 - No treatment NEG":"457119","Hgd82.3 - No treatment NEG":"253854","Hgd82.4 - No treatment NEG":"363646","Hgd83.3 - No treatment NEG":"305449","Hgd83.4 - No treatment NEG":"255774"},{"Metabolite":"Citramalic acid","Hgd81.1 + Nitisinone NEG":"44627","Hgd81.2 + Nitisinone NEG":"6957","Hgd81.3 + Nitisinone NEG":"18579","Hgd82.1 + Nitisinone NEG":"62722","Hgd82.2 + Nitisinone NEG":"65274","Hgd83.1 + Nitisinone NEG":"12274","Hgd83.2 - 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No treatment NEG":"302044","Hgd80.3 - No treatment NEG":"244631","Hgd80.4 - No treatment NEG":"240431","Hgd81.4 - No treatment NEG":"210810","Hgd81.5 - No treatment NEG":"285484","Hgd81.6 - No treatment NEG":"376666","Hgd82.3 - No treatment NEG":"175021","Hgd82.4 - No treatment NEG":"407808","Hgd83.3 - No treatment NEG":"299488","Hgd83.4 - No treatment NEG":"233228"},{"Metabolite":"Glyoxylic acid","Hgd81.1 + Nitisinone NEG":"62670","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"74766","Hgd82.1 + Nitisinone NEG":"90064","Hgd82.2 + Nitisinone NEG":"82327","Hgd83.1 + Nitisinone NEG":"83204","Hgd83.2 - No treatment NEG":"90348","Hgd80.3 - No treatment NEG":"77549","Hgd80.4 - No treatment NEG":"75664","Hgd81.4 - No treatment NEG":"98154","Hgd81.5 - No treatment NEG":"1","Hgd81.6 - No treatment NEG":"87415","Hgd82.3 - No treatment NEG":"84347","Hgd82.4 - No treatment NEG":"133381","Hgd83.3 - No treatment NEG":"1","Hgd83.4 - No treatment NEG":"76553"},{"Metabolite":"Inosine 5'-monophosphate (IMP)","Hgd81.1 + Nitisinone NEG":"1","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"1","Hgd82.1 + Nitisinone NEG":"406858","Hgd82.2 + Nitisinone NEG":"1","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"1","Hgd80.3 - No treatment NEG":"1","Hgd80.4 - No treatment NEG":"1","Hgd81.4 - No treatment NEG":"1","Hgd81.5 - No treatment NEG":"1","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"13549","Hgd82.4 - No treatment NEG":"24727","Hgd83.3 - No treatment NEG":"1","Hgd83.4 - No treatment NEG":"1"},{"Metabolite":"Taurine","Hgd81.1 + Nitisinone NEG":"194490","Hgd81.2 + Nitisinone NEG":"250695","Hgd81.3 + Nitisinone NEG":"371728","Hgd82.1 + Nitisinone NEG":"1546039","Hgd82.2 + Nitisinone NEG":"688593","Hgd83.1 + Nitisinone NEG":"260088","Hgd83.2 - No treatment NEG":"333158","Hgd80.3 - No treatment NEG":"184756","Hgd80.4 - No treatment NEG":"223268","Hgd81.4 - No treatment NEG":"217557","Hgd81.5 - No treatment NEG":"300648","Hgd81.6 - No treatment NEG":"375004","Hgd82.3 - No treatment NEG":"160310","Hgd82.4 - No treatment NEG":"372510","Hgd83.3 - No treatment NEG":"308488","Hgd83.4 - No treatment NEG":"236042"},{"Metabolite":"D-Glucuronic acid","Hgd81.1 + Nitisinone NEG":"118644","Hgd81.2 + Nitisinone NEG":"62984","Hgd81.3 + Nitisinone NEG":"90324","Hgd82.1 + Nitisinone NEG":"131243","Hgd82.2 + Nitisinone NEG":"125282","Hgd83.1 + Nitisinone NEG":"103792","Hgd83.2 - No treatment NEG":"99224","Hgd80.3 - No treatment NEG":"174578","Hgd80.4 - No treatment NEG":"121976","Hgd81.4 - No treatment NEG":"192105","Hgd81.5 - No treatment NEG":"132867","Hgd81.6 - No treatment NEG":"107278","Hgd82.3 - No treatment NEG":"122458","Hgd82.4 - No treatment NEG":"171074","Hgd83.3 - No treatment NEG":"127769","Hgd83.4 - No treatment NEG":"115361"},{"Metabolite":"L-Asparagine","Hgd81.1 + Nitisinone NEG":"1","Hgd81.2 + Nitisinone NEG":"7766","Hgd81.3 + Nitisinone NEG":"9648","Hgd82.1 + Nitisinone NEG":"1","Hgd82.2 + Nitisinone NEG":"1","Hgd83.1 + Nitisinone NEG":"6892","Hgd83.2 - No treatment NEG":"1","Hgd80.3 - No treatment NEG":"1","Hgd80.4 - No treatment NEG":"1","Hgd81.4 - No treatment NEG":"1","Hgd81.5 - No treatment NEG":"1","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"1","Hgd82.4 - No treatment NEG":"6815","Hgd83.3 - No treatment NEG":"1","Hgd83.4 - No treatment NEG":"8595"},{"Metabolite":"D-(+)-GALACTURONIC ACID","Hgd81.1 + Nitisinone NEG":"118644","Hgd81.2 + Nitisinone NEG":"62984","Hgd81.3 + Nitisinone NEG":"90324","Hgd82.1 + Nitisinone NEG":"131243","Hgd82.2 + Nitisinone NEG":"125282","Hgd83.1 + Nitisinone NEG":"103792","Hgd83.2 - No treatment NEG":"99224","Hgd80.3 - No treatment NEG":"174578","Hgd80.4 - No treatment NEG":"121976","Hgd81.4 - No treatment NEG":"192105","Hgd81.5 - No treatment NEG":"132867","Hgd81.6 - No treatment NEG":"107278","Hgd82.3 - No treatment NEG":"122458","Hgd82.4 - No treatment NEG":"171074","Hgd83.3 - No treatment NEG":"127769","Hgd83.4 - No treatment NEG":"115361"},{"Metabolite":"Urocanic acid","Hgd81.1 + Nitisinone NEG":"376708","Hgd81.2 + Nitisinone NEG":"311405","Hgd81.3 + Nitisinone NEG":"263657","Hgd82.1 + Nitisinone NEG":"172839","Hgd82.2 + Nitisinone NEG":"329815","Hgd83.1 + Nitisinone NEG":"369087","Hgd83.2 - No treatment NEG":"381179","Hgd80.3 - No treatment NEG":"197665","Hgd80.4 - No treatment NEG":"163466","Hgd81.4 - No treatment NEG":"323606","Hgd81.5 - No treatment NEG":"385710","Hgd81.6 - No treatment NEG":"330231","Hgd82.3 - No treatment NEG":"318293","Hgd82.4 - No treatment NEG":"209005","Hgd83.3 - No treatment NEG":"429552","Hgd83.4 - No treatment NEG":"455551"},{"Metabolite":"D-Glucose 6-phosphate","Hgd81.1 + Nitisinone NEG":"8969","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"35419","Hgd82.1 + Nitisinone NEG":"114088","Hgd82.2 + Nitisinone NEG":"40176","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"27439","Hgd80.3 - No treatment NEG":"1","Hgd80.4 - No treatment NEG":"41603","Hgd81.4 - No treatment NEG":"13533","Hgd81.5 - No treatment NEG":"29840","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"1","Hgd82.4 - No treatment NEG":"44126","Hgd83.3 - No treatment NEG":"10400","Hgd83.4 - No treatment NEG":"1"},{"Metabolite":"Retinoic acid","Hgd81.1 + Nitisinone NEG":"27649","Hgd81.2 + Nitisinone NEG":"33858","Hgd81.3 + Nitisinone NEG":"36904","Hgd82.1 + Nitisinone NEG":"26932","Hgd82.2 + Nitisinone NEG":"29124","Hgd83.1 + Nitisinone NEG":"28424","Hgd83.2 - No treatment NEG":"42014","Hgd80.3 - No treatment NEG":"26929","Hgd80.4 - No treatment NEG":"29583","Hgd81.4 - No treatment NEG":"27271","Hgd81.5 - No treatment NEG":"27320","Hgd81.6 - No treatment NEG":"26764","Hgd82.3 - No treatment NEG":"28312","Hgd82.4 - No treatment NEG":"34435","Hgd83.3 - No treatment NEG":"27159","Hgd83.4 - No treatment NEG":"30553"},{"Metabolite":"Allantoin","Hgd81.1 + Nitisinone NEG":"41924","Hgd81.2 + Nitisinone NEG":"38990","Hgd81.3 + Nitisinone NEG":"58030","Hgd82.1 + Nitisinone NEG":"52013","Hgd82.2 + Nitisinone NEG":"50770","Hgd83.1 + Nitisinone NEG":"46315","Hgd83.2 - No treatment NEG":"37962","Hgd80.3 - No treatment NEG":"74725","Hgd80.4 - No treatment NEG":"61883","Hgd81.4 - No treatment NEG":"61628","Hgd81.5 - No treatment NEG":"47138","Hgd81.6 - No treatment NEG":"44588","Hgd82.3 - No treatment NEG":"46072","Hgd82.4 - No treatment NEG":"67122","Hgd83.3 - No treatment NEG":"48610","Hgd83.4 - No treatment NEG":"41878"},{"Metabolite":"L-Lysine","Hgd81.1 + Nitisinone NEG":"23126","Hgd81.2 + Nitisinone NEG":"22649","Hgd81.3 + Nitisinone NEG":"20571","Hgd82.1 + Nitisinone NEG":"19611","Hgd82.2 + Nitisinone NEG":"17418","Hgd83.1 + Nitisinone NEG":"23171","Hgd83.2 - No treatment NEG":"20338","Hgd80.3 - No treatment NEG":"25572","Hgd80.4 - No treatment NEG":"26806","Hgd81.4 - No treatment NEG":"26777","Hgd81.5 - No treatment NEG":"19345","Hgd81.6 - No treatment NEG":"22067","Hgd82.3 - No treatment NEG":"27243","Hgd82.4 - No treatment NEG":"16559","Hgd83.3 - No treatment NEG":"12984","Hgd83.4 - No treatment NEG":"32910"},{"Metabolite":"Allothreonine","Hgd81.1 + Nitisinone NEG":"48560","Hgd81.2 + Nitisinone NEG":"117283","Hgd81.3 + Nitisinone NEG":"95799","Hgd82.1 + Nitisinone NEG":"43820","Hgd82.2 + Nitisinone NEG":"63163","Hgd83.1 + Nitisinone NEG":"62046","Hgd83.2 - 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No treatment NEG":"286019","Hgd80.3 - No treatment NEG":"400200","Hgd80.4 - No treatment NEG":"365513","Hgd81.4 - No treatment NEG":"263601","Hgd81.5 - No treatment NEG":"347804","Hgd81.6 - No treatment NEG":"376373","Hgd82.3 - No treatment NEG":"197980","Hgd82.4 - No treatment NEG":"481055","Hgd83.3 - No treatment NEG":"324324","Hgd83.4 - No treatment NEG":"301046"},{"Metabolite":"3-Hydroxybenzaldehyde","Hgd81.1 + Nitisinone NEG":"1","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"1","Hgd82.1 + Nitisinone NEG":"12621","Hgd82.2 + Nitisinone NEG":"7169","Hgd83.1 + Nitisinone NEG":"5541","Hgd83.2 - No treatment NEG":"9988","Hgd80.3 - No treatment NEG":"1","Hgd80.4 - No treatment NEG":"1","Hgd81.4 - No treatment NEG":"5060","Hgd81.5 - No treatment NEG":"1","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"1","Hgd82.4 - No treatment NEG":"14714","Hgd83.3 - No treatment NEG":"1","Hgd83.4 - No treatment NEG":"1"},{"Metabolite":"D-Sorbitol","Hgd81.1 + Nitisinone NEG":"55303","Hgd81.2 + Nitisinone NEG":"27062","Hgd81.3 + Nitisinone NEG":"29867","Hgd82.1 + Nitisinone NEG":"46732","Hgd82.2 + Nitisinone NEG":"41499","Hgd83.1 + Nitisinone NEG":"45039","Hgd83.2 - No treatment NEG":"35229","Hgd80.3 - No treatment NEG":"54540","Hgd80.4 - No treatment NEG":"44443","Hgd81.4 - No treatment NEG":"40408","Hgd81.5 - No treatment NEG":"148242","Hgd81.6 - No treatment NEG":"47346","Hgd82.3 - No treatment NEG":"32609","Hgd82.4 - No treatment NEG":"41290","Hgd83.3 - No treatment NEG":"43610","Hgd83.4 - No treatment NEG":"32190"},{"Metabolite":"?-D-Galactose 1-phosphate","Hgd81.1 + Nitisinone NEG":"8969","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"35419","Hgd82.1 + Nitisinone NEG":"114088","Hgd82.2 + Nitisinone NEG":"40176","Hgd83.1 + Nitisinone NEG":"1","Hgd83.2 - No treatment NEG":"27439","Hgd80.3 - No treatment NEG":"1","Hgd80.4 - No treatment NEG":"41603","Hgd81.4 - No treatment NEG":"13533","Hgd81.5 - No treatment NEG":"29840","Hgd81.6 - No treatment NEG":"1","Hgd82.3 - No treatment NEG":"1","Hgd82.4 - No treatment NEG":"44126","Hgd83.3 - No treatment NEG":"10400","Hgd83.4 - No treatment NEG":"1"},{"Metabolite":"Uridine","Hgd81.1 + Nitisinone NEG":"543288","Hgd81.2 + Nitisinone NEG":"298498","Hgd81.3 + Nitisinone NEG":"401553","Hgd82.1 + Nitisinone NEG":"629180","Hgd82.2 + Nitisinone NEG":"519181","Hgd83.1 + Nitisinone NEG":"560797","Hgd83.2 - 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No treatment NEG":"206850","Hgd80.3 - No treatment NEG":"235213","Hgd80.4 - No treatment NEG":"199127","Hgd81.4 - No treatment NEG":"244772","Hgd81.5 - No treatment NEG":"322068","Hgd81.6 - No treatment NEG":"224985","Hgd82.3 - No treatment NEG":"216133","Hgd82.4 - No treatment NEG":"197387","Hgd83.3 - No treatment NEG":"244992","Hgd83.4 - No treatment NEG":"346072"},{"Metabolite":"Malonic acid","Hgd81.1 + Nitisinone NEG":"93926","Hgd81.2 + Nitisinone NEG":"62826","Hgd81.3 + Nitisinone NEG":"77042","Hgd82.1 + Nitisinone NEG":"57132","Hgd82.2 + Nitisinone NEG":"75838","Hgd83.1 + Nitisinone NEG":"89558","Hgd83.2 - No treatment NEG":"96383","Hgd80.3 - No treatment NEG":"88775","Hgd80.4 - No treatment NEG":"70995","Hgd81.4 - No treatment NEG":"93374","Hgd81.5 - No treatment NEG":"105914","Hgd81.6 - No treatment NEG":"144004","Hgd82.3 - No treatment NEG":"111805","Hgd82.4 - No treatment NEG":"79206","Hgd83.3 - No treatment NEG":"124228","Hgd83.4 - No treatment NEG":"125665"},{"Metabolite":"2-Methylglutaric acid","Hgd81.1 + Nitisinone NEG":"9009","Hgd81.2 + Nitisinone NEG":"1","Hgd81.3 + Nitisinone NEG":"43272","Hgd82.1 + Nitisinone NEG":"20497","Hgd82.2 + Nitisinone NEG":"11036","Hgd83.1 + Nitisinone NEG":"17297","Hgd83.2 - No treatment NEG":"105525","Hgd80.3 - No treatment NEG":"11153","Hgd80.4 - No treatment NEG":"9282","Hgd81.4 - No treatment NEG":"11231","Hgd81.5 - No treatment NEG":"16915","Hgd81.6 - No treatment NEG":"10864","Hgd82.3 - No treatment NEG":"32357","Hgd82.4 - No treatment NEG":"31038","Hgd83.3 - No treatment NEG":"11722","Hgd83.4 - No treatment NEG":"23134"},{"Metabolite":"Adenine","Hgd81.1 + Nitisinone NEG":"228682","Hgd81.2 + Nitisinone NEG":"121071","Hgd81.3 + Nitisinone NEG":"169742","Hgd82.1 + Nitisinone NEG":"108467","Hgd82.2 + Nitisinone NEG":"146409","Hgd83.1 + Nitisinone NEG":"284558","Hgd83.2 - No treatment NEG":"286644","Hgd80.3 - No treatment NEG":"171133","Hgd80.4 - No treatment NEG":"153601","Hgd81.4 - No treatment NEG":"133866","Hgd81.5 - No treatment NEG":"175851","Hgd81.6 - No treatment NEG":"180113","Hgd82.3 - No treatment NEG":"169274","Hgd82.4 - No treatment NEG":"180367","Hgd83.3 - No treatment NEG":"306238","Hgd83.4 - No treatment NEG":"208266"},{"Metabolite":"Pyroglutamic acid","Hgd81.1 + Nitisinone NEG":"498716","Hgd81.2 + Nitisinone NEG":"353848","Hgd81.3 + Nitisinone NEG":"333422","Hgd82.1 + Nitisinone NEG":"717282","Hgd82.2 + Nitisinone NEG":"469822","Hgd83.1 + Nitisinone NEG":"361549","Hgd83.2 - No treatment NEG":"458484","Hgd80.3 - No treatment NEG":"541186","Hgd80.4 - No treatment NEG":"422830","Hgd81.4 - No treatment NEG":"421049","Hgd81.5 - No treatment NEG":"595883","Hgd81.6 - No treatment NEG":"638384","Hgd82.3 - No treatment NEG":"445500","Hgd82.4 - No treatment NEG":"542838","Hgd83.3 - No treatment NEG":"640164","Hgd83.4 - No treatment NEG":"857606"},{"Metabolite":"Uracil","Hgd81.1 + Nitisinone NEG":"154499","Hgd81.2 + Nitisinone NEG":"71139","Hgd81.3 + Nitisinone NEG":"102309","Hgd82.1 + Nitisinone NEG":"124731","Hgd82.2 + Nitisinone NEG":"154816","Hgd83.1 + Nitisinone NEG":"131300","Hgd83.2 - No treatment NEG":"120897","Hgd80.3 - No treatment NEG":"123079","Hgd80.4 - No treatment NEG":"84890","Hgd81.4 - No treatment NEG":"101380","Hgd81.5 - No treatment NEG":"136212","Hgd81.6 - No treatment NEG":"106810","Hgd82.3 - No treatment NEG":"33813","Hgd82.4 - No treatment NEG":"94038","Hgd83.3 - No treatment NEG":"112612","Hgd83.4 - No treatment NEG":"111689"},{"Metabolite":"L-Valine","Hgd81.1 + Nitisinone NEG":"10052","Hgd81.2 + Nitisinone NEG":"6257","Hgd81.3 + Nitisinone NEG":"1","Hgd82.1 + Nitisinone NEG":"14132","Hgd82.2 + Nitisinone NEG":"11076","Hgd83.1 + Nitisinone NEG":"8181","Hgd83.2 - 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"Metabolites":[{"Metabolite":"Inosine","Mass":"268.0816","Retention Time":"2.9830005","CAS Number":"58-63-9"},{"Metabolite":"Adipic acid","Mass":"146.058","Retention Time":"4.6969995","CAS Number":"124-04-9"},{"Metabolite":"Sarcosine","Mass":"89.0481","Retention Time":"1.367","CAS Number":"107-97-1"},{"Metabolite":"Ethylmalonic acid","Mass":"132.0422","Retention Time":"3.9659998","CAS Number":"601-75-2"},{"Metabolite":"D-(-)-Lyxose","Mass":"150.0531","Retention Time":"1.5060003","CAS Number":"1114-34-7"},{"Metabolite":"Hippuric acid","Mass":"179.0588","Retention Time":"5.6160007","CAS Number":"495-69-2"},{"Metabolite":"Uridine monophosphate (UMP)","Mass":"324.0359","Retention Time":"1.71","CAS Number":"58-97-9"},{"Metabolite":"Methyl jasmonate","Mass":"224.1413","Retention Time":"10.360998","CAS Number":"39924-52-2"},{"Metabolite":"Dulcitol","Mass":"182.0792","Retention Time":"1.351","CAS Number":"608-66-2"},{"Metabolite":"Galactaric acid","Mass":"210.0381","Retention Time":"1.356","CAS Number":"526-99-8"},{"Metabolite":"meso-Tartaric acid","Mass":"150.0169","Retention Time":"1.4540001","CAS Number":"147-73-9"},{"Metabolite":"Hypoxanthine","Mass":"136.0389","Retention Time":"2.1690001","CAS Number":"68-94-0"},{"Metabolite":"Phosphocreatine","Mass":"211.0373","Retention Time":"1.389","CAS Number":"67-07-2"},{"Metabolite":"Thymidine","Mass":"242.0904","Retention Time":"3.9710004","CAS Number":"50-89-5"},{"Metabolite":"Orotic acid","Mass":"156.0172","Retention Time":"1.7539998","CAS Number":"65-86-1"},{"Metabolite":"Uric acid","Mass":"168.0287","Retention Time":"2.004","CAS Number":"69-93-2"},{"Metabolite":"Gluconic acid","Mass":"196.0592","Retention Time":"1.353","CAS Number":"526-95-4"},{"Metabolite":"Aceturic acid","Mass":"117.0428","Retention Time":"1.699","CAS Number":"543-24-8"},{"Metabolite":"?-Linolenic Acid","Mass":"278.2244","Retention Time":"13.231001","CAS Number":"506-26-3"},{"Metabolite":"L-Tryptophan","Mass":"204.09","Retention Time":"4.61","CAS Number":"73-22-3"},{"Metabolite":"Cytidine","Mass":"243.0858","Retention Time":"1.531","CAS Number":"65-46-3"},{"Metabolite":"L-Threonine","Mass":"119.0581","Retention Time":"1.3150003","CAS Number":"72-19-5"},{"Metabolite":"4-Hydroxyphenyllactic acid","Mass":"182.0585","Retention Time":"4.8720007","CAS Number":"6482-98-0"},{"Metabolite":"Malic acid","Mass":"134.0219","Retention Time":"1.6189996","CAS Number":"6915-15-7"},{"Metabolite":"L-Isoleucine","Mass":"131.0951","Retention Time":"2.657","CAS Number":"73-32-5"},{"Metabolite":"N-Acetyl-L-glutamic acid","Mass":"189.0643","Retention Time":"2.274","CAS Number":"1188-37-0"},{"Metabolite":"D-Mannitol","Mass":"182.0792","Retention Time":"1.351","CAS Number":"69-65-8"},{"Metabolite":"L-Aspartic Acid","Mass":"133.0375","Retention Time":"1.545","CAS Number":"56-84-8"},{"Metabolite":"Myristic acid","Mass":"228.2093","Retention Time":"13.173002","CAS Number":"544-63-8"},{"Metabolite":"phosphoenol pyruvate","Mass":"167.983","Retention Time":"1.5760001","CAS Number":"138-08-9"},{"Metabolite":"Oxoglutaric acid","Mass":"146.022","Retention Time":"1.7859998","CAS Number":"328-50-7"},{"Metabolite":"Citric acid","Mass":"192.0279","Retention Time":"1.8859998","CAS Number":"77-92-9"},{"Metabolite":"Succinic acid","Mass":"118.0266","Retention Time":"2.326","CAS Number":"110-15-6"},{"Metabolite":"Methyl N-(a-methylbutyryl)glycine","Mass":"188.1053","Retention Time":"8.199999","CAS Number":"123-99-9"},{"Metabolite":"D-Aspartic acid","Mass":"133.0375","Retention Time":"1.545","CAS Number":"1783-96-6"},{"Metabolite":"12-Hydroxydodecanoic acid","Mass":"216.173","Retention Time":"10.632001","CAS Number":"505-95-3"},{"Metabolite":"Pantothenic Acid","Mass":"219.1115","Retention Time":"4.354","CAS Number":"137-08-6"},{"Metabolite":"Dehydroascorbic acid","Mass":"174.0167","Retention Time":"1.6079999","CAS Number":"490-83-5"},{"Metabolite":"Glutamine","Mass":"146.0695","Retention Time":"1.3","CAS Number":"56-85-9"},{"Metabolite":"Arabinose","Mass":"150.0531","Retention Time":"1.5060003","CAS Number":"147-81-9"},{"Metabolite":"Palmitic acid","Mass":"256.2402","Retention Time":"13.606998","CAS Number":"57-10-3"},{"Metabolite":"Itaconic acid","Mass":"130.0269","Retention Time":"3.2890005","CAS Number":"97-65-4"},{"Metabolite":"DL-a-Hydroxybutyric acid","Mass":"104.0474","Retention Time":"3.1549997","CAS Number":"600-15-7"},{"Metabolite":"Adenosine5'-monophosphate","Mass":"347.0635","Retention Time":"1.7999997","CAS Number":"149022-20-8"},{"Metabolite":"D-Mannose 6-phosphate","Mass":"260.0264","Retention Time":"1.3529999","CAS Number":"3672-15-9"},{"Metabolite":"Dihydroxyacetone phosphate","Mass":"169.9981","Retention Time":"1.3599999","CAS Number":"57-04-5"},{"Metabolite":"a-N-Acetylglucosamine","Mass":"221.0901","Retention Time":"1.469","CAS Number":"7512-17-6"},{"Metabolite":"N-Acetyl-DL-serine","Mass":"147.0536","Retention Time":"1.691","CAS Number":"94-14-3"},{"Metabolite":"Linoleic acid","Mass":"280.2404","Retention Time":"13.445002","CAS Number":"60-33-3"},{"Metabolite":"L-Anserine","Mass":"240.1221","Retention Time":"1.286","CAS Number":"10030-52-1"},{"Metabolite":"D-Fructose 6-phosphate","Mass":"260.0264","Retention Time":"1.3529999","CAS Number":"643-13-0"},{"Metabolite":"Maleic acid","Mass":"116.0112","Retention Time":"2.1790004","CAS Number":"110-16-7"},{"Metabolite":"Pimelic acid","Mass":"160.074","Retention Time":"5.986","CAS Number":"111-16-0"},{"Metabolite":"Suberic acid","Mass":"174.0893","Retention Time":"7.18","CAS Number":"505-48-6"},{"Metabolite":"tartaric acid","Mass":"150.0169","Retention Time":"1.4540001","CAS Number":"87-69-4"},{"Metabolite":"D-Ribose","Mass":"150.0531","Retention Time":"1.5060003","CAS Number":"50-69-1"},{"Metabolite":"?-D-Glucose 1-phosphate","Mass":"260.0264","Retention Time":"1.3529999","CAS Number":"59-56-3"},{"Metabolite":"Xanthine","Mass":"152.034","Retention Time":"2.3800006","CAS Number":"69-89-6"},{"Metabolite":"Glyceryl phosphate","Mass":"172.0143","Retention Time":"1.3689997","CAS Number":"57-03-4"},{"Metabolite":"L-Norleucine","Mass":"131.0951","Retention Time":"2.657","CAS Number":"327-57-1"},{"Metabolite":"L-Serine","Mass":"105.0424","Retention Time":"1.2889998","CAS Number":"56-45-1"},{"Metabolite":"Xanthosine","Mass":"284.0761","Retention Time":"3.539","CAS Number":"146-80-5"},{"Metabolite":"D-(+)-Xylose","Mass":"150.0531","Retention Time":"1.5060003","CAS Number":"58-86-6"},{"Metabolite":"N-Acetyl-?-D-mannosamine","Mass":"221.0901","Retention Time":"1.469","CAS Number":"7772-94-3"},{"Metabolite":"DL-Homoserine","Mass":"119.0581","Retention Time":"1.3150003","CAS Number":"1927-25-9"},{"Metabolite":"D-(+)-Malic acid","Mass":"134.0219","Retention Time":"1.6189996","CAS Number":"636-61-3"},{"Metabolite":"L-Phenylalanine","Mass":"165.0794","Retention Time":"3.813","CAS Number":"63-91-2"},{"Metabolite":"3-hydroxy-3-methyl-Glutaric acid","Mass":"162.0534","Retention Time":"2.78","CAS Number":"503-49-1"},{"Metabolite":"L-Methionine","Mass":"149.0513","Retention Time":"1.8570002","CAS Number":"63-68-3"},{"Metabolite":"?-D-Glucose","Mass":"180.0634","Retention Time":"1.332","CAS Number":"492-62-6"},{"Metabolite":"Nicotinamide adenine dinucleotide (NAD)","Mass":"663.1075","Retention Time":"1.861","CAS Number":"53-84-9"},{"Metabolite":"Elaidic Acid","Mass":"282.256","Retention Time":"13.690998","CAS Number":"112-79-8"},{"Metabolite":"N-Acetyl-L-alanine","Mass":"131.0584","Retention Time":"2.6139998","CAS Number":"97-69-8"},{"Metabolite":"cis-9-palmitoleic acid","Mass":"254.2249","Retention Time":"13.328999","CAS Number":"373-49-9"},{"Metabolite":"trans-Aconitate","Mass":"174.0167","Retention Time":"2.292","CAS Number":"4023-65-8"},{"Metabolite":"Citramalic acid","Mass":"148.0377","Retention Time":"2.4090002","CAS Number":"2306-22-1"},{"Metabolite":"4-Hydroxybenzaldehyde","Mass":"122.0371","Retention Time":"5.944","CAS Number":"123-08-0"},{"Metabolite":"?-Alanine","Mass":"89.0481","Retention Time":"1.368","CAS Number":"107-95-9"},{"Metabolite":"Glyoxylic acid","Mass":"74.0007","Retention Time":"1.457","CAS Number":"298-12-4"},{"Metabolite":"Inosine 5'-monophosphate (IMP)","Mass":"348.0472","Retention Time":"1.919","CAS Number":"131-99-7"},{"Metabolite":"Taurine","Mass":"125.0148","Retention Time":"1.293","CAS Number":"107-35-7"},{"Metabolite":"D-Glucuronic acid","Mass":"194.043","Retention Time":"1.34","CAS Number":"03-12-6556"},{"Metabolite":"L-Asparagine","Mass":"132.053","Retention Time":"1.289","CAS Number":"70-47-3"},{"Metabolite":"D-(+)-GALACTURONIC ACID","Mass":"194.043","Retention Time":"1.34","CAS Number":"91510-62-2"},{"Metabolite":"Urocanic acid","Mass":"138.0421","Retention Time":"1.413","CAS Number":"104-98-3"},{"Metabolite":"D-Glucose 6-phosphate","Mass":"260.0264","Retention Time":"1.3529999","CAS Number":"56-73-5"},{"Metabolite":"Retinoic acid","Mass":"300.209","Retention Time":"13.020003","CAS Number":"302-79-4"},{"Metabolite":"Allantoin","Mass":"158.0441","Retention Time":"1.3929998","CAS Number":"97-59-6"},{"Metabolite":"L-Lysine","Mass":"146.1053","Retention Time":"1.1099999","CAS Number":"56-87-1"},{"Metabolite":"Allothreonine","Mass":"119.0581","Retention Time":"1.3150003","CAS Number":"144-98-9"},{"Metabolite":"Citrulline","Mass":"175.0961","Retention Time":"1.3190001","CAS Number":"372-75-8"},{"Metabolite":"D-Tryptophan","Mass":"204.09","Retention Time":"4.61","CAS Number":"153-94-6"},{"Metabolite":"Isocitrate","Mass":"192.0279","Retention Time":"1.6079999","CAS Number":"320-77-4"},{"Metabolite":"Glycerol 2-phosphate","Mass":"172.0143","Retention Time":"1.3689997","CAS Number":"17181-54-3"},{"Metabolite":"3-Hydroxybenzaldehyde","Mass":"122.0371","Retention Time":"5.944","CAS Number":"100-83-4"},{"Metabolite":"D-Sorbitol","Mass":"182.0792","Retention Time":"1.351","CAS Number":"50-70-4"},{"Metabolite":"?-D-Galactose 1-phosphate","Mass":"260.0264","Retention Time":"1.3529999","CAS Number":"2255-14-3"},{"Metabolite":"Uridine","Mass":"244.0703","Retention Time":"2.2700002","CAS Number":"58-96-8"},{"Metabolite":"2-hydroxy-butanoic acid","Mass":"104.0474","Retention Time":"3.1549997","CAS Number":"600-15-7"},{"Metabolite":"L-Norvaline","Mass":"117.0794","Retention Time":"1.6730002","CAS Number":"6600-40-4"},{"Metabolite":"L-Leucine","Mass":"131.0951","Retention Time":"2.657","CAS Number":"61-90-5"},{"Metabolite":"Lauric acid","Mass":"200.1774","Retention Time":"12.625","CAS Number":"143-07-7"},{"Metabolite":"L-Arginine","Mass":"174.1115","Retention Time":"1.2679999","CAS Number":"74-79-3"},{"Metabolite":"Fumaric acid","Mass":"116.0112","Retention Time":"2.1790004","CAS Number":"110-17-8"},{"Metabolite":"Stearic acid","Mass":"284.2713","Retention Time":"13.988999","CAS Number":"57-11-4"},{"Metabolite":"L-Tyrosine","Mass":"181.0743","Retention Time":"2.2229998","CAS Number":"60-18-4"},{"Metabolite":"(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,1 6,19-Docosahexaenoic acid","Mass":"328.2402","Retention Time":"13.384002","CAS Number":"6217-54-5"},{"Metabolite":"N-acetylaspartate","Mass":"175.0484","Retention Time":"1.8700004","CAS Number":"997-55-7"},{"Metabolite":"3-Methylglutaric acid","Mass":"146.058","Retention Time":"4.6969995","CAS Number":"626-51-7"},{"Metabolite":"Pyridoxal (Vitamin B6)","Mass":"167.0586","Retention Time":"1.743","CAS Number":"66-72-8"},{"Metabolite":"N-Acetylneuraminic Acid","Mass":"309.107","Retention Time":"1.4570001","CAS Number":"131-48-6"},{"Metabolite":"D-(-)-Arabinose","Mass":"150.0531","Retention Time":"1.5060003","CAS Number":"10323-20-3"},{"Metabolite":"Malonic acid","Mass":"104.011","Retention Time":"1.691","CAS Number":"141-82-2"},{"Metabolite":"2-Methylglutaric acid","Mass":"146.058","Retention Time":"4.6969995","CAS Number":"617-62-9"},{"Metabolite":"Adenine","Mass":"135.0546","Retention Time":"1.7339997","CAS Number":"73-24-5"},{"Metabolite":"Pyroglutamic acid","Mass":"129.0431","Retention Time":"2.114","CAS Number":"98-79-3"},{"Metabolite":"Uracil","Mass":"112.0274","Retention Time":"1.8559995","CAS Number":"66-22-8"},{"Metabolite":"L-Valine","Mass":"117.0794","Retention Time":"1.6730002","CAS Number":"72-18-4"},{"Metabolite":"N-ALPHA-ACETYL-L-ASPARAGINE","Mass":"174.0645","Retention Time":"1.6329999","CAS Number":"4033-40-3"},{"Metabolite":"L-Histidine","Mass":"155.0691","Retention Time":"1.2869998","CAS Number":"71-00-1"},{"Metabolite":"Acetyl-L-tyrosine","Mass":"223.085","Retention Time":"5.041","CAS Number":"537-55-3"},{"Metabolite":"Guanosine","Mass":"283.092","Retention Time":"3.0289996","CAS Number":"118-00-3"},{"Metabolite":"NTBC HT-1","Mass":"329.0511","Retention Time":"10.38","CAS Number":"104206-65-7"},{"Metabolite":"2,5-Dihydroxybenzaldehyde","Mass":"138.0322","Retention Time":"5.407","CAS Number":"1194-98-5"},{"Metabolite":"3-(2-Hydroxyphenyl)propionic acid","Mass":"166.0629","Retention Time":"6.913","CAS Number":"495-78-3"},{"Metabolite":"4-Pyridoxic acid","Mass":"183.0534","Retention Time":"3.268","CAS Number":"82-82-6"},{"Metabolite":"Deoxyuridine monophosphate (dUMP)","Mass":"308.0422","Retention Time":"1.933","CAS Number":"964-26-1"},{"Metabolite":"O-Phosphorylethanolamine","Mass":"141.0193","Retention Time":"1.288","CAS Number":"1071-23-4"},{"Metabolite":"Glucuronolactone","Mass":"176.0326","Retention Time":"1.519","CAS Number":"32449-92-6"},{"Metabolite":"Quinic acid","Mass":"192.0637","Retention Time":"1.492","CAS Number":"77-95-2"},{"Metabolite":"Methylglyoxal","Mass":"72.0214","Retention Time":"1.936","CAS Number":"78-98-8"},{"Metabolite":"Glutamyl-Tyrosine","Mass":"310.1196","Retention Time":"3.893","CAS Number":"9046-27-9"},{"Metabolite":"?,?-Trehalose","Mass":"342.1077","Retention Time":"1.3","CAS Number":"99-20-7"},{"Metabolite":"Phenyl acetate","Mass":"136.0524","Retention Time":"4.87","CAS Number":"122-79-2"},{"Metabolite":"L-Ornithine","Mass":"132.0896","Retention Time":"1.319","CAS Number":"3184-13-2"}]
}

}