#METABOLOMICS WORKBENCH WangLab_20230718_232026 DATATRACK_ID:4174 STUDY_ID:ST002794 ANALYSIS_ID:AN004546 PROJECT_ID:PR001742 VERSION 1 CREATED_ON July 23, 2023, 7:52 am #PROJECT PR:PROJECT_TITLE Metabolomics Study on Plasma and Lung Tissue of Rats Exposed to Whole Thorax PR:PROJECT_TITLE Irradiation PR:PROJECT_TYPE MS quantitative analysis PR:PROJECT_SUMMARY Although some progress has been made in the study of radiation injury, there are PR:PROJECT_SUMMARY still no effective prevention and treatment methods for severe acute radiation PR:PROJECT_SUMMARY syndrome or sickness (ARS). Accordingly, a thorough understanding of biological PR:PROJECT_SUMMARY characteristics associated with high-dose radiation is essential for revealing PR:PROJECT_SUMMARY the mechanisms underlying the varied biological processes following high dose PR:PROJECT_SUMMARY radiation and the development of novel potent radioprotective agents. Therefore, PR:PROJECT_SUMMARY in this paper, we investigated the metabolic characteristics of plasma and lung PR:PROJECT_SUMMARY tissue of rats exposed to whole-thorax irradiation (WTI) by liquid PR:PROJECT_SUMMARY chromatography-mass spectrometry (LC-MS). The correlation of metabolic PR:PROJECT_SUMMARY characteristics between plasma and lung tissue of WTI rats was studied. Parallel PR:PROJECT_SUMMARY metabolic pathway analysis of common differential metabolites suggests that the PR:PROJECT_SUMMARY metabolic characteristics of plasma can reflect the metabolic changes of RILI. PR:PROJECT_SUMMARY On this basis, the potential plasma biomarkers of RILI (acylcarnitine C9:1, PR:PROJECT_SUMMARY acylcarnitine C5:0, taurocholic acid and tauro-α-Muricholic acid) were PR:PROJECT_SUMMARY screened, and their dose-response patterns suggest that they have the potential PR:PROJECT_SUMMARY for early diagnosis and evaluation of RILI. PR:INSTITUTE Soochow University PR:LAST_NAME Wang PR:FIRST_NAME Chang PR:ADDRESS Suzhou, No. 199, Renai Road, Suzhou Industrial Park PR:EMAIL wangchang@suda.edu.cn PR:PHONE +86-512-65880067 #STUDY ST:STUDY_TITLE Metabolomics Study on Plasma and Lung Tissue of Rats Exposed to Whole Thorax ST:STUDY_TITLE Irradiation. ST:STUDY_SUMMARY Although some progress has been made in the study of radiation injury, there are ST:STUDY_SUMMARY still no effective prevention and treatment methods for severe acute radiation ST:STUDY_SUMMARY syndrome or sickness (ARS). Accordingly, a thorough understanding of biological ST:STUDY_SUMMARY characteristics associated with high-dose radiation is essential for revealing ST:STUDY_SUMMARY the mechanisms underlying the varied biological processes following high dose ST:STUDY_SUMMARY radiation and the development of novel potent radioprotective agents. In present ST:STUDY_SUMMARY study, plasma metabolic characteristics were investigated from patients of ST:STUDY_SUMMARY hematopoietic stem cell transplantation following high-dose TBI pretreatment ST:STUDY_SUMMARY utilizing gas chromatography-mass spectrometry (GC-MS) and liquid ST:STUDY_SUMMARY chromatography-mass spectrometry (LC-MS). The most potential panel of four ST:STUDY_SUMMARY metabolic markers for radiation injury was selected and the metabolic disorders ST:STUDY_SUMMARY involved were explored. The metabolic disorders implied the dysregulation of gut ST:STUDY_SUMMARY microflora, shift of energy supply from aerobic respiration to ketogenesis, ST:STUDY_SUMMARY protein synthesis and metabolism in response to TBI. Although similar metabolic ST:STUDY_SUMMARY alternation patterns exist between male and female following high-dose ST:STUDY_SUMMARY irradiation, specific changes are observed in either male or female patients. ST:STUDY_SUMMARY These findings provide valuable information for further selecting biomarkers, ST:STUDY_SUMMARY clues of pathogenic mechanisms involved in high-dose radiation exposure. ST:INSTITUTE Soochow University ST:LAST_NAME Wang ST:FIRST_NAME Chang ST:ADDRESS Suzhou, No. 199, Renai Road, Suzhou Industrial Park ST:EMAIL wangchang@suda.edu.cn ST:PHONE +8651265880067 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:GENDER Female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS 20210318-C1-3-5h 20210318-C1-3-5h Treatment:Control Batch=1a; RAW_FILE_NAME=GYF-plasma-neg-GYF_plasma-neg_20210318-C1-3-5h.raw SUBJECT_SAMPLE_FACTORS 20210318-C1-4-5h 20210318-C1-4-5h Treatment:Control Batch=1a; RAW_FILE_NAME=GYF-plasma-neg-GYF_plasma-neg_20210318-C1-4-5h.raw SUBJECT_SAMPLE_FACTORS 20210318-C1-6-5h 20210318-C1-6-5h Treatment:Control Batch=1a; RAW_FILE_NAME=GYF-plasma-neg-GYF_plasma-neg_20210318-C1-6-5h.raw SUBJECT_SAMPLE_FACTORS 20210318-C2-1-5h 20210318-C2-1-5h Treatment:Control Batch=1a; RAW_FILE_NAME=GYF-plasma-neg-GYF_plasma-neg_20210318-C2-1-5h.raw SUBJECT_SAMPLE_FACTORS 20210318-C3-3-5h 20210318-C3-3-5h Treatment:Control Batch=1a; 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RAW_FILE_NAME=GYF_plasma-pos_20210311-20Gy-6-3-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-20Gy-7-1-120h 20210311-20Gy-7-1-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-20Gy-7-1-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-20Gy-8-5-120h 20210311-20Gy-8-5-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-20Gy-8-5-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-20Gy-9-4-120h 20210311-20Gy-9-4-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-20Gy-9-4-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-20Gy-9-6-120h 20210311-20Gy-9-6-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-20Gy-9-6-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-35Gy-2-5-120h 20210311-35Gy-2-5-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-35Gy-2-5-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-35Gy-2-6-120h 20210311-35Gy-2-6-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-35Gy-2-6-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-35Gy-3-1-120h 20210311-35Gy-3-1-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-35Gy-3-1-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-35Gy-3-2-120h 20210311-35Gy-3-2-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-35Gy-3-2-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-35Gy-3-4-120h 20210311-35Gy-3-4-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-35Gy-3-4-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-35Gy-4-4-120h 20210311-35Gy-4-4-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-35Gy-4-4-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-35Gy-4-5-120h 20210311-35Gy-4-5-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-35Gy-4-5-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-35Gy-5-2-120h 20210311-35Gy-5-2-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-35Gy-5-2-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-35Gy-5-5-120h 20210311-35Gy-5-5-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-35Gy-5-5-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-35Gy-7-2-120h 20210311-35Gy-7-2-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-35Gy-7-2-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-35Gy-7-5-120h 20210311-35Gy-7-5-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-35Gy-7-5-120h.raw SUBJECT_SAMPLE_FACTORS 20210311-35Gy-9-2-120h 20210311-35Gy-9-2-120h Treatment:WTI Batch=1b; RAW_FILE_NAME=GYF_plasma-pos_20210311-35Gy-9-2-120h.raw SUBJECT_SAMPLE_FACTORS 20210527-10Gy-1-1 20210527-10Gy-1-1 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-10Gy-1-1.raw SUBJECT_SAMPLE_FACTORS 20210527-10Gy-1-2 20210527-10Gy-1-2 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-10Gy-1-2.raw SUBJECT_SAMPLE_FACTORS 20210527-10Gy-2-2 20210527-10Gy-2-2 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-10Gy-2-2.raw SUBJECT_SAMPLE_FACTORS 20210527-10Gy-4-3 20210527-10Gy-4-3 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-10Gy-4-3.raw SUBJECT_SAMPLE_FACTORS 20210527-10Gy-5-4 20210527-10Gy-5-4 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-10Gy-5-4.raw SUBJECT_SAMPLE_FACTORS 20210527-10Gy-7-3 20210527-10Gy-7-3 Treatment:WTI Batch=2a; 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RAW_FILE_NAME=GYF_lung-pos_20210527-20Gy-5-1.raw SUBJECT_SAMPLE_FACTORS 20210527-20Gy-6-3 20210527-20Gy-6-3 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-20Gy-6-3.raw SUBJECT_SAMPLE_FACTORS 20210527-20Gy-7-1 20210527-20Gy-7-1 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-20Gy-7-1.raw SUBJECT_SAMPLE_FACTORS 20210527-20Gy-8-5 20210527-20Gy-8-5 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-20Gy-8-5.raw SUBJECT_SAMPLE_FACTORS 20210527-20Gy-9-4 20210527-20Gy-9-4 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-20Gy-9-4.raw SUBJECT_SAMPLE_FACTORS 20210527-20Gy-9-6 20210527-20Gy-9-6 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-20Gy-9-6.raw SUBJECT_SAMPLE_FACTORS 20210527-35Gy-2-5 20210527-35Gy-2-5 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-35Gy-2-5.raw SUBJECT_SAMPLE_FACTORS 20210527-35Gy-2-6 20210527-35Gy-2-6 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-35Gy-2-6.raw SUBJECT_SAMPLE_FACTORS 20210527-35Gy-3-1 20210527-35Gy-3-1 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-35Gy-3-1.raw SUBJECT_SAMPLE_FACTORS 20210527-35Gy-3-4 20210527-35Gy-3-4 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-35Gy-3-4.raw SUBJECT_SAMPLE_FACTORS 20210527-35Gy-4-4 20210527-35Gy-4-4 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-35Gy-4-4.raw SUBJECT_SAMPLE_FACTORS 20210527-35Gy-5-2 20210527-35Gy-5-2 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-35Gy-5-2.raw SUBJECT_SAMPLE_FACTORS 20210527-35Gy-7-2 20210527-35Gy-7-2 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-35Gy-7-2.raw SUBJECT_SAMPLE_FACTORS 20210527-35Gy-7-5 20210527-35Gy-7-5 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-35Gy-7-5.raw SUBJECT_SAMPLE_FACTORS 20210527-35Gy-9-2 20210527-35Gy-9-2 Treatment:WTI Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-35Gy-9-2.raw SUBJECT_SAMPLE_FACTORS 20210527-C1-6 20210527-C1-6 Treatment:Control Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-C1-6.raw SUBJECT_SAMPLE_FACTORS 20210527-C2-1 20210527-C2-1 Treatment:Control Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-C2-1.raw SUBJECT_SAMPLE_FACTORS 20210527-C3-3 20210527-C3-3 Treatment:Control Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-C3-3.raw SUBJECT_SAMPLE_FACTORS 20210527-C3-6 20210527-C3-6 Treatment:Control Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-C3-6.raw SUBJECT_SAMPLE_FACTORS 20210527-C4-6 20210527-C4-6 Treatment:Control Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-C4-6.raw SUBJECT_SAMPLE_FACTORS 20210527-C5-6 20210527-C5-6 Treatment:Control Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-C5-6.raw SUBJECT_SAMPLE_FACTORS 20210527-C6-1 20210527-C6-1 Treatment:Control Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-C6-1.raw SUBJECT_SAMPLE_FACTORS 20210527-C6-4 20210527-C6-4 Treatment:Control Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-C6-4.raw SUBJECT_SAMPLE_FACTORS 20210527-C6-6 20210527-C6-6 Treatment:Control Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-C6-6.raw SUBJECT_SAMPLE_FACTORS 20210527-C8-2 20210527-C8-2 Treatment:Control Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-C8-2.raw SUBJECT_SAMPLE_FACTORS 20210527-C8-6 20210527-C8-6 Treatment:Control Batch=2a; RAW_FILE_NAME=GYF_lung-pos_20210527-C8-6.raw SUBJECT_SAMPLE_FACTORS 20210530-10Gy-1-1 20210530-10Gy-1-1 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-10Gy-1-1.raw SUBJECT_SAMPLE_FACTORS 20210530-10Gy-1-2 20210530-10Gy-1-2 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-10Gy-1-2.raw SUBJECT_SAMPLE_FACTORS 20210530-10Gy-2-2 20210530-10Gy-2-2 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-10Gy-2-2.raw SUBJECT_SAMPLE_FACTORS 20210530-10Gy-4-3 20210530-10Gy-4-3 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-10Gy-4-3.raw SUBJECT_SAMPLE_FACTORS 20210530-10Gy-5-4 20210530-10Gy-5-4 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-10Gy-5-4.raw SUBJECT_SAMPLE_FACTORS 20210530-10Gy-7-3 20210530-10Gy-7-3 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-10Gy-7-3.raw SUBJECT_SAMPLE_FACTORS 20210530-10Gy-8-3 20210530-10Gy-8-3 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-10Gy-8-3.raw SUBJECT_SAMPLE_FACTORS 20210530-10Gy-8-4 20210530-10Gy-8-4 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-10Gy-8-4.raw SUBJECT_SAMPLE_FACTORS 20210530-10Gy-9-3 20210530-10Gy-9-3 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-10Gy-9-3.raw SUBJECT_SAMPLE_FACTORS 20210530-10Gy-9-5 20210530-10Gy-9-5 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-10Gy-9-5.raw SUBJECT_SAMPLE_FACTORS 20210530-20Gy-2-4 20210530-20Gy-2-4 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-20Gy-2-4.raw SUBJECT_SAMPLE_FACTORS 20210530-20Gy-3-5 20210530-20Gy-3-5 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-20Gy-3-5.raw SUBJECT_SAMPLE_FACTORS 20210530-20Gy-4-2 20210530-20Gy-4-2 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-20Gy-4-2.raw SUBJECT_SAMPLE_FACTORS 20210530-20Gy-5-1 20210530-20Gy-5-1 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-20Gy-5-1.raw SUBJECT_SAMPLE_FACTORS 20210530-20Gy-6-3 20210530-20Gy-6-3 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-20Gy-6-3.raw SUBJECT_SAMPLE_FACTORS 20210530-20Gy-7-1 20210530-20Gy-7-1 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-20Gy-7-1.raw SUBJECT_SAMPLE_FACTORS 20210530-20Gy-8-5 20210530-20Gy-8-5 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-20Gy-8-5.raw SUBJECT_SAMPLE_FACTORS 20210530-20Gy-9-4 20210530-20Gy-9-4 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-20Gy-9-4.raw SUBJECT_SAMPLE_FACTORS 20210530-20Gy-9-6 20210530-20Gy-9-6 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-20Gy-9-6.raw SUBJECT_SAMPLE_FACTORS 20210530-35Gy-2-5 20210530-35Gy-2-5 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-35Gy-2-5.raw SUBJECT_SAMPLE_FACTORS 20210530-35Gy-2-6 20210530-35Gy-2-6 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-35Gy-2-6.raw SUBJECT_SAMPLE_FACTORS 20210530-35Gy-3-1 20210530-35Gy-3-1 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-35Gy-3-1.raw SUBJECT_SAMPLE_FACTORS 20210530-35Gy-3-4 20210530-35Gy-3-4 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-35Gy-3-4.raw SUBJECT_SAMPLE_FACTORS 20210530-35Gy-4-4 20210530-35Gy-4-4 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-35Gy-4-4.raw SUBJECT_SAMPLE_FACTORS 20210530-35Gy-5-2 20210530-35Gy-5-2 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-35Gy-5-2.raw SUBJECT_SAMPLE_FACTORS 20210530-35Gy-7-2 20210530-35Gy-7-2 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-35Gy-7-2.raw SUBJECT_SAMPLE_FACTORS 20210530-35Gy-7-5 20210530-35Gy-7-5 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-35Gy-7-5.raw SUBJECT_SAMPLE_FACTORS 20210530-35Gy-9-2 20210530-35Gy-9-2 Treatment:WTI Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-35Gy-9-2.raw SUBJECT_SAMPLE_FACTORS 20210530-C1-6 20210530-C1-6 Treatment:Control Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-C1-6.raw SUBJECT_SAMPLE_FACTORS 20210530-C2-1 20210530-C2-1 Treatment:Control Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-C2-1.raw SUBJECT_SAMPLE_FACTORS 20210530-C3-3 20210530-C3-3 Treatment:Control Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-C3-3.raw SUBJECT_SAMPLE_FACTORS 20210530-C3-6 20210530-C3-6 Treatment:Control Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-C3-6.raw SUBJECT_SAMPLE_FACTORS 20210530-C4-6 20210530-C4-6 Treatment:Control Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-C4-6.raw SUBJECT_SAMPLE_FACTORS 20210530-C5-6 20210530-C5-6 Treatment:Control Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-C5-6.raw SUBJECT_SAMPLE_FACTORS 20210530-C6-1 20210530-C6-1 Treatment:Control Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-C6-1.raw SUBJECT_SAMPLE_FACTORS 20210530-C6-4 20210530-C6-4 Treatment:Control Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-C6-4.raw SUBJECT_SAMPLE_FACTORS 20210530-C6-6 20210530-C6-6 Treatment:Control Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-C6-6.raw SUBJECT_SAMPLE_FACTORS 20210530-C8-2 20210530-C8-2 Treatment:Control Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-C8-2.raw SUBJECT_SAMPLE_FACTORS 20210530-C8-6 20210530-C8-6 Treatment:Control Batch=2b; RAW_FILE_NAME=GYF_lung-neg_20210530-C8-6.raw #COLLECTION CO:COLLECTION_SUMMARY Whole blood was collected about 5 hours, 1 day, 2 days, 3 days, and 5 days CO:COLLECTION_SUMMARY before and after irradiation, and tissue samples were taken on the fifth day。 CO:SAMPLE_TYPE Blood (whole) #TREATMENT TR:TREATMENT_SUMMARY After anesthesia with 10% chloral hydrate solution (0.25 ml/100 g) by TR:TREATMENT_SUMMARY intraperitoneal injection, the small animal radiation therapy simulator (X-RAD TR:TREATMENT_SUMMARY SmART) was used to irradiate the whole lung tissue using a 40×40 mm lead TR:TREATMENT_SUMMARY collimator. Whole chest X-ray irradiation of 10 Gy, 20 Gy and 35 Gy in each dose TR:TREATMENT_SUMMARY group was given by anterior-anterior-field cross-irradiation, and the dose rate TR:TREATMENT_SUMMARY was about 2.7 Gy/min. The control group was also anesthetized, but not TR:TREATMENT_SUMMARY irradiated #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Plasma：Add 200 μL ice acetonitrile containing internal standard (internal SP:SAMPLEPREP_SUMMARY standard and its concentration are shown in Table 1-3) to 50 μL plasma, swirl SP:SAMPLEPREP_SUMMARY and mix well for 2 min, centrifuge at 13,000 rpm and 4 ℃ for 15 min, and SP:SAMPLEPREP_SUMMARY divide the supernatant into two parts in parallel (100 μL each for SP:SAMPLEPREP_SUMMARY determination and analysis of positive and negative ion modes of LC-MS). SP:SAMPLEPREP_SUMMARY Freeze-dried and stored in a -80 ℃ refrigerator. Before metabolomics analysis, SP:SAMPLEPREP_SUMMARY the samples were redissolved with 50 μL 25% acetonitrile/water (v/v) SP:SAMPLEPREP_SUMMARY solution。 Tissue:Weigh about 20 mg lung tissue sample powder into 2 mL EP SP:SAMPLEPREP_SUMMARY tube, add 1.5 mL 80% methanol/water (v/v) solution containing internal standard SP:SAMPLEPREP_SUMMARY (internal standard and its concentration are shown in Table 2-1), swirl and mix SP:SAMPLEPREP_SUMMARY well for 2 min, then add 3 zirconium beads into the sample and grind at 45 hz SP:SAMPLEPREP_SUMMARY for 2 times, 5 min each time. The supernatant was divided into two parts in SP:SAMPLEPREP_SUMMARY parallel (600 μL each for determination of positive and negative ion modes of SP:SAMPLEPREP_SUMMARY LC-MS) at an interval of 15 s, and then centrifuged at 13,000 rpm for 15 min at SP:SAMPLEPREP_SUMMARY 4 ℃. The supernatant was freeze-dried and stored in a refrigerator at -80 ℃. SP:SAMPLEPREP_SUMMARY Before metabolomics analysis, samples were redissolved with 100 μL 80% SP:SAMPLEPREP_SUMMARY methanol/water (v/v) solution. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY positive ion mode CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo TSQ Vantage HPLC-MS/MS CH:COLUMN_NAME Waters ACQUITY UPLC BEH C8 (100 x 2.1mm,1.7um) CH:SOLVENT_A water(0.1% formic acid ) CH:SOLVENT_B acetonitrile(0.1% formic acid ) CH:FLOW_GRADIENT 0~0.5min, 5% B; 0.5 ~24min, 5~100% B; 24-28 min, 40-100% B; 28~28.5min, 100~5% CH:FLOW_GRADIENT B; 28.5~48 min, 5% B CH:FLOW_RATE 0.35 mL/min CH:COLUMN_TEMPERATURE 50 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo TSQ Vantage MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The temperature of ion source and ion transport tube is 350 ℃, the MS:MS_COMMENTS electrospray voltage in positive and negative ion mode is 3,000 V respectively, MS:MS_COMMENTS the sheath pressure is 35 Arb, and the auxiliary pressure is 10 Arb. Data MS:MS_COMMENTS acquisition and pre-processing and instrument interface control are performed in MS:MS_COMMENTS Xcalibur (Thermo, USA) software. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples 20210203-C1-3-5h 20210203-C1-4-5h 20210203-C1-6-5h 20210203-C2-1-5h 20210203-C3-3-5h 20210203-C3-6-5h 20210203-C4-6-5h 20210203-C5-6-5h 20210203-C6-1-5h 20210203-C6-4-5h 20210203-C6-6-5h 20210203-C8-2-5h 20210203-C8-6-5h 20210203-10Gy-1-1-5h 20210203-10Gy-1-2-5h 20210203-10Gy-2-2-5h 20210203-10Gy-4-3-5h 20210203-10Gy-5-4-5h 20210203-10Gy-7-3-5h 20210203-10Gy-8-3-5h 20210203-10Gy-8-4-5h 20210203-10Gy-9-5-5h 20210203-20Gy-1-5-5h 20210203-20Gy-2-4-5h 20210203-20Gy-3-5-5h 20210203-20Gy-4-2-5h 20210203-20Gy-5-1-5h 20210203-20Gy-5-3-5h 20210203-20Gy-6-2-5h 20210203-20Gy-6-3-5h 20210203-20Gy-7-1-5h 20210203-20Gy-8-5-5h 20210203-20Gy-9-4-5h 20210203-20Gy-9-6-5h 20210203-35Gy-2-5-5h 20210203-35Gy-2-6-5h 20210203-35Gy-3-1-5h 20210203-35Gy-3-2-5h 20210203-35Gy-3-4-5h 20210203-35Gy-4-4-5h 20210203-35Gy-4-5-5h 20210203-35Gy-5-2-5h 20210203-35Gy-7-2-5h 20210203-35Gy-7-5-5h 20210203-35Gy-9-2-5h 20210331-C1-3-24h 20210331-C1-6-24h 20210331-C2-1-24h 20210331-C3-3-24h 20210331-C3-6-24h 20210331-C4-6-24h 20210331-C5-6-24h 20210331-C6-1-24h 20210331-C6-4-24h 20210331-C6-6-24h 20210331-C8-2-24h 20210331-10Gy-1-1-24h 20210331-10Gy-1-2-24h 20210331-10Gy-2-2-24h 20210331-10Gy-4-3-24h 20210331-10Gy-5-4-24h 20210331-10Gy-7-3-24h 20210331-10Gy-8-3-24h 20210331-10Gy-8-4-24h 20210331-10Gy-9-3-24h 20210331-10Gy-9-5-24h 20210331-20Gy-1-5-24h 20210331-20Gy-2-4-24h 20210331-20Gy-3-5-24h 20210331-20Gy-4-2-24h 20210331-20Gy-5-1-24h 20210331-20Gy-5-3-24h 20210331-20Gy-6-2-24h 20210331-20Gy-6-3-24h 20210331-20Gy-7-1-24h 20210331-20Gy-8-5-24h 20210331-20Gy-9-4-24h 20210331-20Gy-9-6-24h 20210331-35Gy-2-5-24h 20210331-35Gy-2-6-24h 20210331-35Gy-3-1-24h 20210331-35Gy-3-2-24h 20210331-35Gy-3-4-24h 20210331-35Gy-4-4-24h 20210331-35Gy-4-5-24h 20210331-35Gy-5-2-24h 20210331-35Gy-5-5-24h 20210331-35Gy-7-2-24h 20210331-35Gy-7-5-24h 20210331-35Gy-9-2-24h 20210206-C1-3-48h 20210206-C1-4-48h 20210206-C1-6-48h 20210206-C2-1-48h 20210206-C3-3-48h 20210206-C3-6-48h 20210206-C4-6-48h 20210206-C5-6-48h 20210206-C6-1-48h 20210206-C6-4-48h 20210206-C6-6-48h 20210206-C8-2-48h 20210206-C8-6-48h 20210206-10Gy-1-1-48h 20210206-10Gy-1-2-48h 20210206-10Gy-2-2-48h 20210206-10Gy-4-3-48h 20210206-10Gy-5-4-48h 20210206-10Gy-7-3-48h 20210206-10Gy-8-3-48h 20210206-10Gy-8-4-48h 20210206-10Gy-9-3-48h 20210206-10Gy-9-5-48h 20210206-20Gy-1-5-48h 20210206-20Gy-2-4-48h 20210206-20Gy-3-5-48h 20210206-20Gy-4-2-48h 20210206-20Gy-5-1-48h 20210206-20Gy-5-3-48h 20210206-20Gy-6-3-48h 20210206-20Gy-7-1-48h 20210206-20Gy-8-5-48h 20210206-20Gy-9-4-48h 20210206-20Gy-9-6-48h 20210206-35Gy-2-5-48h 20210206-35Gy-2-6-48h 20210206-35Gy-3-1-48h 20210206-35Gy-3-2-48h 20210206-35Gy-3-4-48h 20210206-35Gy-4-4-48h 20210206-35Gy-4-5-48h 20210206-35Gy-5-2-48h 20210206-35Gy-5-5-48h 20210206-35Gy-7-2-48h 20210206-35Gy-7-5-48h 20210206-35Gy-9-2-48h 20210308-C1-3-72h 20210308-C1-4-72h 20210308-C1-6-72h 20210308-C2-1-72h 20210308-C3-3-72h 20210308-C3-6-72h 20210308-C4-6-72h 20210308-C5-6-72h 20210308-C6-1-72h 20210308-C6-4-72h 20210308-C6-6-72h 20210308-C8-2-72h 20210308-C8-6-72h 20210308-10Gy-1-1-72h 20210308-10Gy-1-2-72h 20210308-10Gy-2-2-72h 20210308-10Gy-4-3-72h 20210308-10Gy-5-4-72h 20210308-10Gy-7-3-72h 20210308-10Gy-8-3-72h 20210308-10Gy-8-4-72h 20210308-10Gy-9-3-72h 20210308-10Gy-9-5-72h 20210308-20Gy-1-5-72h 20210308-20Gy-2-4-72h 20210308-20Gy-3-5-72h 20210308-20Gy-4-2-72h 20210308-20Gy-5-1-72h 20210308-20Gy-5-3-72h 20210308-20Gy-6-3-72h 20210308-20Gy-7-1-72h 20210308-20Gy-8-5-72h 20210308-20Gy-9-4-72h 20210308-20Gy-9-6-72h 20210308-35Gy-2-5-72h 20210308-35Gy-2-6-72h 20210308-35Gy-3-1-72h 20210308-35Gy-3-2-72h 20210308-35Gy-3-4-72h 20210308-35Gy-4-4-72h 20210308-35Gy-4-5-72h 20210308-35Gy-5-2-72h 20210308-35Gy-5-5-72h 20210308-35Gy-7-2-72h 20210308-35Gy-7-5-72h 20210308-35Gy-9-2-72h 20210311-C1-3-120h 20210311-C1-4-120h 20210311-C1-6-120h 20210311-C2-1-120h 20210311-C3-3-120h 20210311-C3-6-120h 20210311-C4-6-120h 20210311-C5-6-120h 20210311-C6-1-120h 20210311-C6-4-120h 20210311-C6-6-120h 20210311-C8-2-120h 20210311-C8-6-120h 20210311-10Gy-1-1-120h 20210311-10Gy-1-2-120h 20210311-10Gy-2-2-120h 20210311-10Gy-4-3-120h 20210311-10Gy-5-4-120h 20210311-10Gy-7-3-120h 20210311-10Gy-8-3-120h 20210311-10Gy-8-4-120h 20210311-10Gy-9-3-120h 20210311-10Gy-9-5-120h 20210311-20Gy-1-5-120h 20210311-20Gy-2-4-120h 20210311-20Gy-3-5-120h 20210311-20Gy-4-2-120h 20210311-20Gy-5-1-120h 20210311-20Gy-5-3-120h 20210311-20Gy-6-3-120h 20210311-20Gy-7-1-120h 20210311-20Gy-8-5-120h 20210311-20Gy-9-4-120h 20210311-20Gy-9-6-120h 20210311-35Gy-2-5-120h 20210311-35Gy-2-6-120h 20210311-35Gy-3-1-120h 20210311-35Gy-3-2-120h 20210311-35Gy-3-4-120h 20210311-35Gy-4-4-120h 20210311-35Gy-4-5-120h 20210311-35Gy-5-2-120h 20210311-35Gy-5-5-120h 20210311-35Gy-7-2-120h 20210311-35Gy-7-5-120h 20210311-35Gy-9-2-120h Factors Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI Treatment:WTI ACar10:0-d3 881271.0254 676520.8292 928044.968 594912.9978 683400.2124 900530.9145 712906.8044 879750.3186 636047.7685 685516.553 658664.6354 725677.7808 716539.3048 814828.2231 804906.2745 588655.6129 825660.9678 774988.9302 688736.6934 844328.9723 918725.5037 1054524.905 545388.7368 629561.9752 582723.87 823381.3832 849200.4482 597375.3942 1108992.813 746120.965 674619.4598 590652.4584 672681.498 736932.8794 829276.8516 837523.7696 598315.4462 849627.6551 1171001.574 729900.75 842047.792 961426.3138 587473.9133 839952.1771 470594.8962 443410.228 426741.0846 419315.8933 411388.3667 501063.1776 425007.1882 428236.5187 432366.6813 561964.4617 492843.7999 505038.7644 591237.7323 409639.9533 454736.6337 448111.4055 429399.1542 465812.1537 427527.6886 546148.8083 513381.8124 454020.719 432058.0397 481916.8149 455349.4779 435859.8608 465310.4424 436066.4277 629484.8673 422145.1192 422689.9195 433033.8442 505042.8556 413411.5407 481770.4094 507517.8314 406335.5185 436900.8656 410205.8453 415685.7744 441912.4784 431303.2891 431830.7711 443960.4692 452430.7986 414916.5908 501124.9047 446230.0899 442106.28 489150.4482 487220.9806 448819.6418 448753.9375 486381.7376 490162.3711 464837.2371 479897.612 455933.876 517352.9781 478661.0239 483189.7974 492415.0153 445025.1152 479443.5427 492258.118 470988.3842 446204.8771 420474.8215 476206.5398 489976.9078 476438.7274 458653.5228 461799.5426 444302.4459 454374.2493 491572.779 445217.2011 468765.8897 487383.8526 447320.1465 484987.5564 486682.6409 465179.1358 432446.1467 510826.8732 445662.0564 450110.9745 441183.5344 458281.4084 490618.63 493490.327 495748.55 432119.5808 488138.8492 518360.522 484091.8352 495673.2358 515341.9335 461552.8981 482956.9319 466507.8466 478118.677 488156.3355 481712.2695 436470.9593 465942.9805 487396.276 437167.846 482840.6342 510873.8614 442486.8646 456626.7975 442752.5792 482923.045 471010.3636 472617.9743 484188.751 472676.4021 472511.9524 456599.8751 458211.0851 432472.8892 523587.5258 442894.9535 471775.702 436501.6669 487372.413 493266.2258 448537.7906 481906.611 494641.6069 429376.509 486218.9556 475146.6929 504114.4052 469569.3921 440460.7512 490244.416 484231.4201 473738.3126 444174.5406 488420.3465 477677.2591 472443.2487 448434.1442 472129.7541 490306.5391 474558.0057 460666.5169 472727.7874 483259.8568 476246.0836 464522.8307 486075.4415 480541.4517 475819.0507 471833.7039 447971.7666 489671.1396 488225.981 500706.402 459042.8836 487638.3316 466909.6908 466436.5275 460491.4795 450402.4177 481972.1713 463760.6836 488119.1973 443978.1056 470491.0339 482419.744 443152.5098 484815.0444 473734.7854 462850.1695 474433.5376 467942.8554 461902.3432 453056.6901 483303.6536 463723.9713 463772.3572 ACar16:0-d3 371036.5015 204551.2073 460599.5481 196400.1415 234334.0893 483006.548 224031.223 469704.049 197406.6511 162399.1087 132341.526 343037.5358 231587.3552 383870.1666 172004.2784 193158.7243 195805.0058 453484.238 216490.7161 451154.7106 410544.0555 459823.9874 84178.65466 193354.0918 199569.1233 410896.2217 332462.634 186592.3842 81959.74918 433383.1173 147086.1901 207778.6104 224993.3473 406262.3278 419214.3646 403249.0196 261252.4443 392045.039 407124.5236 244023.4147 408521.3805 439214.0222 203501.1644 524348.6843 137745.6884 144892.249 131901.2938 167030.2391 126130.5251 157248.0906 177416.0923 115028.7122 174657.5778 133577.2915 143659.5638 138345.9033 184032.5414 80080.73246 104564.9675 100526.3786 158353.2015 185090.3669 100921.6958 150839.068 181159.4672 178648.8212 165752.6115 169480.1372 204005.547 117300.8942 153442.668 134408.7775 63781.45712 119452.9514 152667.9047 138583.4224 139718.5822 121813.2432 201407.9382 140551.7013 98538.42211 81254.6414 142333.5585 118191.2767 129011.2617 147234.5399 125446.5641 136780.5822 104311.4573 111175.3325 204839.6382 188521.4334 205139.6146 229697.9617 238175.3773 204744.0298 245430.6702 237483.0111 234048.4493 174054.7141 212453.7274 204365.5667 55236.37395 209799.0463 193477.8868 223448.4739 200311.1178 235164.3411 176385.0826 235454.1154 200888.8315 178465.9496 208649.5719 220456.9023 221105.1562 224056.8373 217458.0342 173103.1905 304988.3402 190898.3773 218641.4898 187274.3026 223480.6419 207351.2071 212506.0046 158825.6563 199469.2713 191611.071 214634.3863 202183.0073 217597.9951 196693.4221 176198.0821 195991.8315 210148.4707 206482.0479 272926.6132 258299.7966 233559.3752 320531.5469 245865.9106 279785.6605 284049.6604 197345.6957 198182.3865 224444.3391 331793.3043 232072.6991 199375.8967 173056.8118 241974.7977 274925.2688 285614.0312 206186.9049 174883.4476 225644.7798 123664.5594 186462.0191 185850.6901 267397.9458 282465.022 222669.0792 233105.167 285156.6445 273164.4764 227189.0743 298345.5123 180810.6763 359339.1651 274246.873 182267.9096 221912.9887 219961.2526 164465.3389 225307.802 200891.7315 248089.6277 249647.6687 143007.5851 257571.4775 137078.7945 311870.7626 247494.0714 232158.1492 198723.6777 294962.9764 275744.9308 257240.3818 245284.2265 214829.9285 273188.9765 300681.4515 254201.8361 268137.8868 263282.0336 244513.1934 215532.9391 264722.0032 247693.18 201688.5099 247429.6425 244315.6905 189288.4087 275298.4561 244843.9506 216902.9638 206144.2891 226145.5906 241824.8641 390342.362 210743.0221 207661.4729 184866.6053 257648.3531 231235.3365 218358.2801 216518.575 222552.6736 284148.0159 232162.4364 223552.7277 212764.1734 310947.3328 214031.4625 211052.9984 245852.5028 227635.1995 258065.0355 L-citrulline-d4 198178.8607 128813.585 239070.4172 13964.32725 145810.6694 225857.8726 154935.4537 208618.1423 138236.3032 142630.2502 114106.1865 223943.4589 135732.0386 233103.7747 145198.2427 153153.4081 139348.327 207026.5899 153825.0556 225403.0441 213754.5548 217229.0065 139804.0017 11899.07162 156531.2727 214339.6804 206742.0749 144795.4511 113596.2837 209635.7478 132445.488 145149.5772 167993.7492 240178.9403 203139.731 191052.5044 146693.729 240578.7167 207343.8172 151880.3123 214034.6339 184347.6675 153938.1125 232910.9033 139447.3414 161718.7557 179146.7033 179315.8499 146808.4961 201986.8759 171334.3676 178947.8505 184085.3052 158730.0143 158086.9551 169519.7745 180527.4314 144488.2 159594.4575 163668.5494 165636.3762 162239.6769 191646.5775 189809.0167 164598.11 155339.4656 157422.0238 152211.0744 166412.8278 167673.3197 160801.5363 171108.3875 130725.5179 155260.907 145093.8037 150283.7673 150495.5358 167239.9268 156543.0527 158174.6171 150986.8712 175076.7978 160873.0135 148102.9162 161832.1065 171516.0692 159676.2539 155446.4432 145783.5153 144666.1338 137194.1846 147882.9797 119617.5105 151208.8475 157614.2183 164880.5718 147430.4537 153539.6365 149664.8738 157201.0318 149914.2091 158679.6164 137567.9783 149562.9512 155726.1393 154653.4239 143656.9813 130569.3716 157385.8287 141335.8524 149252.0035 177001.9538 161858.5169 123026.9206 142482.7351 134704.2297 143668.6233 154467.0726 162654.3643 152546.6109 165574.9642 144490.8455 138426.6584 144257.1248 162557.5768 149049.0756 153919.7989 148922.1811 156459.5149 160779.9493 175247.0668 148833.7175 165402.0186 145709.9893 172201.7502 138103.3874 154792.5482 148018.5633 150085.881 138902.0451 132095.7665 135988.7982 144235.6936 140690.3436 135351.9029 144228.7904 147788.8109 147285.7757 143995.0386 139597.7068 136252.2695 129045.2124 151797.6385 127747.3363 140273.2601 125168.4545 137499.2979 138395.4692 130316.3531 149644.2132 143020.4869 140276.1996 142286.0736 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4950.574939 2902.48478 3248.937446 4401.12791 2714.678159 3829.654028 4683.579487 1389.670496 4138.115215 974.298119 1094.606857 1031.193348 1161.92568 1048.321658 1078.82744 491.1570152 1203.168514 485.0394689 1016.525168 654.2086764 1548.868062 580.4748296 1087.587864 1238.667082 1465.106438 1684.751344 863.7332018 891.0052476 1121.175775 2933.464641 1674.971055 1169.759254 1618.205306 1421.092475 1118.16904 3471.262517 787.8182633 6726.975976 1909.053042 861.8254124 1197.393108 1646.340692 1171.592059 1354.995522 1480.278608 1680.782519 1146.646566 1014.815288 1551.293364 1700.229596 1765.405024 1694.673405 1804.262711 1267.839132 990.6114391 615.863585 831.4097755 548.0399517 721.3771217 651.1007335 973.6798084 461.0425435 644.5005034 722.7395358 1426.208186 454.8033019 983.8313294 562.940049 907.676688 1155.093942 1338.468723 1401.611799 1466.338142 1087.801343 1121.360571 1026.651285 1391.954844 1318.427511 1376.031605 1515.238357 1256.402639 965.2885673 1350.686197 1323.851762 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1708.548722 1306.618557 1258.296087 1275.026122 1438.790745 1398.013387 1505.579764 1522.903934 1155.021007 1499.566703 1867.04234 947.2403717 1430.858833 1222.188223 640.0276879 1530.117147 1545.527382 1546.541919 2372.856471 1621.590649 1126.041539 1459.403148 1965.578268 1788.138695 1664.133615 ACar16:3 2091.580451 1289.584454 1505.381736 967.7275694 1152.695756 1979.648405 830.1288024 2072.21175 1068.495905 932.1944806 1114.80951 1179.650241 1995.775345 1320.815322 1581.768791 1403.706219 1245.361286 1950.177325 853.7910144 1499.672731 1714.787812 1536.011107 1464.738237 1212.694893 1440.397598 2607.132759 6349.934411 1287.57559 2617.557951 1990.157203 1058.461455 1066.482976 1376.655646 2296.598378 1142.67466 2568.178796 1487.59342 1379.90118 2014.812525 1367.557117 1568.94051 2080.179857 854.1564999 1981.315298 571.662319 488.6820102 515.9392759 592.3809065 545.969761 600.6741474 309.2347157 591.4249543 243.6749157 537.4593769 316.6576424 655.1552945 401.4087706 505.4499285 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829.3522546 842.4214827 ACar16:4 247.4728505 156.564632 184.8460779 120.5024088 143.5178793 258.4909438 125.0957641 240.0703285 123.1797913 136.6315959 147.0282629 182.880011 214.0222177 167.1153807 248.1844661 152.6270989 173.7781905 211.7605859 121.6283753 188.6629252 194.3637491 211.0814664 137.0321484 195.5217118 198.9712027 279.9638972 462.3867625 136.2634396 499.2818868 216.8655805 138.9101257 131.3716198 163.1211544 253.0528888 128.2406911 290.8241092 177.466653 154.1090232 274.3847589 151.7904982 187.8026272 238.6434977 113.3446577 221.9595763 68.80573987 71.90007289 65.68550992 85.74333113 76.77289499 83.5343931 44.62810725 81.05608702 45.22483648 72.72077556 54.46984006 103.03808 67.17833287 68.93842413 86.25267072 79.65435326 93.97765456 75.29377041 67.77486213 86.08229093 138.7713422 102.3160657 71.7540902 122.5283685 102.2659716 62.88584195 151.6576139 75.77621319 476.9654335 125.8764715 55.41762765 76.95337359 92.34334839 70.8560967 82.28004186 120.0862582 108.2425628 75.69762251 78.77735727 94.4217019 119.9870699 106.4726727 113.9048913 99.24482989 87.08307224 58.11650758 44.50312208 68.07372668 47.5434615 60.25275422 59.7386152 73.13462648 48.96529288 53.07260577 59.10069085 84.77674576 41.16101844 77.32742922 33.2294591 73.03873785 86.46734526 84.89013231 102.6975204 78.7323626 73.399995 74.43877181 72.32292274 93.13685428 104.1841441 100.0642327 81.26086273 73.95332938 52.961019 60.55871794 69.08360691 87.11166885 69.97620105 66.28753852 95.23150586 91.48874974 87.68430093 100.1174264 70.50343853 81.68451249 77.21624241 71.82538175 93.80947451 78.0224468 77.79417387 73.0450371 96.91060672 67.84915332 66.89526644 84.69315567 79.67895034 74.52086207 57.64146391 70.69991522 60.16116509 121.2554195 49.20226477 109.6142001 42.8975125 45.36122031 76.91327834 68.19191267 62.92413741 79.74684229 98.22565076 90.03092263 87.91717332 90.47117042 58.24689211 84.59506731 168.7441875 78.69256732 118.8034103 82.33143577 98.07436871 52.54936782 94.93194139 84.40948931 113.3137614 82.89156934 103.729598 59.97238747 93.61189794 83.36231351 64.62383583 105.0249444 91.55934137 60.16556456 82.33123579 89.97762895 96.28548086 92.02578605 51.48319426 80.69752954 54.17627487 73.03373844 87.37983704 83.92894631 49.30475262 46.75465505 33.51672503 102.6660242 71.91077162 82.95706157 49.33774871 93.31493316 78.52058772 98.06706957 97.80350083 85.56405239 59.35056122 77.26563655 79.68304985 106.8440287 68.96642081 119.5724191 71.40513159 73.88663729 99.0010588 93.31533311 99.75356956 57.97962381 98.9285674 105.3008117 100.0969288 106.2780958 88.35282165 92.10857623 67.11524036 64.1425929 67.94464199 97.16587645 89.49718593 100.5560744 87.99026465 79.7029475 89.34740369 104.6165928 91.75781783 89.07463604 ACar18:2 130349.3419 71024.67544 112974.6933 48389.57431 62942.84737 127555.8504 52000.92587 137145.9235 53738.04894 55054.98045 45396.38862 82450.89152 110715.7372 70288.69087 75673.41505 79006.78552 60818.60504 118517.5951 44510.92441 94784.08391 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30926.36087 34853.47262 31868.241 38885.44244 26247.9144 29232.34077 28377.77599 34609.52445 33360.81414 34422.6399 36239.38026 34168.40723 26319.90366 35542.92315 35701.44438 34975.14911 26388.60626 26981.97993 41663.42402 31653.31041 35385.93146 40162.75239 35391.9074 51359.47767 29740.16934 37493.89802 58734.78515 31684.9582 34851.16408 36245.58815 40294.35232 20991.3722 27439.46919 36381.31282 37914.38936 30523.3291 18354.542 27145.62372 20870.06551 55733.02394 23897.85087 67637.77529 16363.79239 16781.73449 30818.40652 24410.14991 25315.88551 26157.72158 33055.59008 32594.87981 46035.69239 36008.62249 31624.67794 29488.62596 104539.8379 34623.10655 44929.37636 48578.76084 57691.17826 47364.66332 55381.73848 59178.88269 40505.55861 41309.61996 58977.90619 20434.40564 47700.79775 40134.55756 43545.19083 63156.85453 55892.87997 49428.11335 63990.09759 55019.12477 52330.54824 64779.22017 32292.13716 47477.04876 31266.09706 32258.85917 47092.63411 39918.45848 21170.01384 21096.10116 17533.35806 51441.67702 39226.61845 60683.95915 25016.84309 36313.19885 36784.29208 50956.77412 41246.30687 49113.53259 28888.93718 39555.03732 53552.2541 58211.01343 40150.33003 60670.43176 54514.84325 48594.03003 49949.02948 52839.44684 68959.91688 61859.50514 56975.57012 44281.92376 50686.96155 67856.46299 39189.28574 55167.49499 44213.54064 25784.0028 62832.04618 57816.69284 61914.75693 69958.63523 67869.71686 44045.85307 55779.84902 65690.96016 63705.28059 61569.46493 ACar18:3 1167.891326 632.4576448 805.7511165 415.2644061 507.1533417 1052.331367 429.0480193 1078.362382 445.090847 440.486476 380.9705215 613.0750196 986.5027758 535.9604162 644.7556909 641.1503944 473.2230049 895.5839264 357.9232589 727.6657449 728.5260164 680.4696631 604.5758097 551.3203129 619.1625703 1109.336249 2525.16124 477.997384 703.4846974 1035.555816 430.8272211 456.314108 595.6678643 1129.102544 472.8928789 1048.875957 682.4108585 704.2610732 994.5777328 570.3562716 907.0953655 1057.901391 277.3655232 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329.251918 279.2032133 267.8576898 415.0703548 234.0456936 244.5720408 266.821783 326.7423806 183.1991275 164.0506258 214.0589174 247.3371871 191.3767374 108.7125727 175.7852751 131.9022191 418.4647185 128.4502197 405.5524607 104.5304083 105.2199896 219.2070755 176.7082978 178.3376129 166.2387337 218.6501584 206.7872783 306.5289838 242.9180004 207.0232775 198.4509147 694.3550764 231.417304 332.5929091 358.0383597 352.9906376 240.9568541 394.1878389 396.7674599 272.8620998 238.3937736 456.2765936 128.2849862 259.1761944 236.4679249 242.5425162 376.8180275 379.2371894 303.094889 367.9605559 318.2034397 364.0254744 424.823225 190.9990364 283.8578876 147.4060343 169.6298575 223.4449998 203.7523699 96.75096174 105.1371171 108.528923 270.4668106 207.7048444 309.9823473 131.2046233 201.4273348 172.0348664 275.9352046 224.6403424 213.7398751 135.3175567 190.0717506 275.13956 283.1319855 221.9304445 314.9695349 237.6528658 251.2028671 239.1363866 293.4412613 276.182117 252.665755 256.6501166 209.3488242 267.2634289 334.9905856 172.3926165 285.9066809 191.2014432 117.5766945 260.2649622 284.9971292 291.3982656 419.0564216 293.7190377 178.1844863 261.487588 331.7505421 313.6282275 297.6397956 ACar20:4 2073.764365 1264.237712 1772.017635 971.8243838 1268.53159 2180.471458 880.5627601 2891.54322 1161.767902 1090.065322 1115.287375 1528.818454 1803.686691 1694.001037 1462.141482 1451.711105 1257.371959 2412.637498 1019.790015 2031.188659 2295.529409 1865.449702 1146.398822 1064.088036 1241.068271 3292.304308 6051.127894 1271.68829 2416.357375 2401.364675 1056.22242 1151.712976 1391.979367 2768.033281 1760.896043 3039.716366 1523.151115 1659.684336 2493.464724 1370.882951 2052.238994 2574.344217 913.1593119 2363.32222 786.4002013 515.7757412 647.0065597 707.5581672 731.1590369 675.7901448 413.7330305 723.506197 370.5517768 620.6346476 422.2932631 749.2515319 413.8820977 623.8736128 819.489108 814.2185605 825.6141633 671.9462511 581.0860575 732.1122013 1203.078083 1017.715136 894.0780867 1045.789259 923.3320686 708.218764 1826.972107 639.1765092 4460.800957 1088.099614 693.3955424 761.6961722 921.9177854 752.4376122 1101.209181 944.7290935 962.6530374 691.3914849 912.3793377 894.9697067 1089.696984 1087.25624 1067.934404 1180.978092 860.4055911 925.8553873 353.7492392 554.5415737 394.1248124 544.8364305 469.0960465 636.861328 369.1705854 461.1775453 412.4409082 873.3060927 349.5484502 644.5862273 324.8100924 661.7209189 725.7400407 753.224081 897.200767 835.105293 723.4341375 751.734955 687.503366 878.6236489 807.4183728 916.2371484 691.8405423 731.2116125 656.8920063 796.0960665 821.7464561 764.0930003 649.9634724 751.1934265 988.2177597 935.3199199 907.9589683 877.721823 671.7520308 889.6403983 717.0480599 695.8053597 1078.483231 853.3236601 715.830162 899.2496684 1005.190704 609.9447946 584.6033639 830.1984449 878.4752002 713.9219776 667.3276409 755.5417364 518.2325673 1236.220493 487.5271901 1208.246572 392.1853919 439.6905233 815.0891503 687.1863661 671.5513157 723.1332196 941.6330103 765.2725489 979.8987562 1045.574937 749.2410168 763.0037579 1976.356965 859.9608635 1253.414255 1148.721425 1342.90903 736.0674314 1403.044672 1217.394723 1099.882421 1114.122362 1426.031025 716.5266338 1245.307719 1034.450562 817.3774252 1367.209773 1305.261511 1075.409105 1119.751042 1156.488076 1059.301803 1394.210737 759.4468651 1311.162347 612.8522244 779.9615481 881.3371675 843.8384065 529.1840611 460.3153057 352.9398845 933.8113099 687.3069807 1102.957783 430.4183554 829.8430958 938.8307317 891.4616783 897.1849944 785.144882 631.8876779 1069.660429 935.1526058 1192.02917 961.3510185 1169.344352 854.7435101 913.0238525 915.2542942 1063.455892 1099.04183 862.9171576 1160.990092 988.90217 982.6917567 1225.092716 866.4746689 1072.277147 978.8444611 671.4922455 871.8401617 1104.267224 1073.714316 1128.590853 1150.675072 844.417975 879.1985784 1122.745995 1154.845553 1304.166392 ACar5:0 748743.7374 495686.1734 680035.8239 500696.6157 536359.5245 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26221.71953 55189.0556 35708.22577 40344.32982 56998.78039 62542.61421 53848.50243 70477.36447 52289.78994 54172.77305 58336.7901 39757.30342 64059.59963 78331.97588 35905.93747 69711.26039 20294.46974 42726.89604 32181.62833 39260.1118 30114.98252 37415.45449 20202.99531 45739.71141 25995.80587 43179.93111 31574.85016 52797.77325 20931.18351 54188.8656 49650.7246 51899.74739 38362.84578 40570.93533 35018.7273 44018.10977 83140.32707 49707.36048 31445.03793 71064.08494 62459.58798 46861.30143 76208.80816 23734.5117 96387.85859 42959.47028 29144.45817 35196.21132 63724.86925 41362.07006 41534.86109 69107.08366 54081.3766 53741.75527 32130.88119 48357.43131 75487.4385 48173.75261 57482.4389 48117.94056 40369.77837 27212.55353 14005.29539 24258.58157 13407.81123 21847.87337 20541.4169 27990.45309 16332.80739 20958.45567 24590.7365 33884.55597 16339.31 27629.97622 15328.63624 28055.21123 34246.85645 40252.27152 47524.96343 35119.03384 34899.34484 39916.97726 30890.4306 40715.0205 49113.20561 59124.60354 54170.32957 50177.19795 45411.13771 40668.71441 24900.5882 32371.44772 40230.98407 22882.0441 43535.25508 35524.94699 34567.49984 43614.53612 33887.6993 46771.88656 43134.01693 40750.26696 43836.75457 38169.97105 36955.12898 29592.80624 48968.43058 19756.55083 35255.47264 35899.14092 53026.27635 33188.54689 19227.44004 35386.30065 20716.25949 59888.87801 34964.38093 44267.96231 22697.47959 14810.47311 31940.37395 35199.79256 35851.43913 33710.11929 36424.25257 33678.15413 52224.30995 48750.20327 49725.61457 41091.30999 76668.5178 37975.24271 47661.68818 48318.01175 57083.43427 50093.64183 46533.8055 45288.62192 48699.97202 31104.31084 57280.19218 27019.13891 43943.53572 40687.0205 46519.12664 63107.61732 50200.26502 26703.79638 52813.18595 42653.60972 60450.65581 52103.37982 27021.88432 37603.63422 27813.64292 26092.65714 32940.312 34787.77271 13375.90006 19301.71015 14456.92276 38084.84726 35550.00562 45694.44709 20343.11733 41607.77349 39117.67428 42799.0306 41532.73154 36152.72467 17407.59342 26186.97496 31805.02691 45370.63238 34685.9545 47197.03759 39785.58537 35200.56239 42758.77122 37874.91018 25880.62451 38199.94864 35960.30784 36587.6656 48840.42797 36511.54589 25456.33329 44541.8557 31894.59575 17978.22533 55739.40585 50806.57929 34039.76476 56294.857 61222.40469 32473.82781 37544.55886 48402.44968 49109.87232 47151.45335 Acar9:1 70.60612827 46.86234776 65.7476043 38.35159244 35.29359964 139.964968 40.57999967 78.72575204 33.91724982 39.62074549 41.26235417 65.30515191 43.16932293 50.86800453 63.29341577 34.08487763 38.59680884 60.90760441 38.77015583 59.16902264 63.43032194 74.50104541 36.47210613 42.45584189 37.46466318 52.92397578 67.11448962 35.50328624 87.49690745 57.71027606 33.86815593 26.84646393 42.32485736 49.61702128 49.30691996 71.24900521 41.87663518 42.06172421 68.72699625 43.21912539 44.43007434 66.79745442 37.42979133 67.22892394 22.80011491 24.31078967 22.50737359 25.80020728 21.31459444 32.12233661 20.79197224 26.35021071 24.7084502 28.1573721 30.18768294 25.29909528 29.64198154 41.47457138 27.97562347 25.33786427 24.89404536 26.00994449 20.02413363 25.34940387 29.96281266 33.88516165 26.60909243 32.04444434 36.23923912 20.95838535 26.47294545 28.17108802 148.8802165 24.50605177 31.1415216 17.69966433 32.79583396 18.93764023 27.45370984 31.92484756 22.98150925 25.07908378 23.55383269 27.74174421 19.30427544 21.90792197 30.74674597 16.462397 22.57544708 19.22182807 19.14150641 20.92280493 15.18226109 21.07722294 17.26277929 26.49637892 20.13654346 16.39852433 16.49235946 26.20677557 16.59641827 19.81606662 17.85899172 16.90085102 21.30057484 20.95291923 21.65136842 18.56331195 21.61928025 19.3317579 22.41424703 16.89978816 20.01239158 23.77824746 16.94037919 18.00055422 23.87608096 13.68545409 16.1239022 14.88916549 20.68254853 15.73975514 16.40889984 19.26479788 18.34962698 14.41346085 13.92474886 11.93725599 19.95474422 18.23210531 16.54378152 17.9909885 18.42716496 18.00440075 20.23878023 19.42761752 27.12837422 30.1631866 25.02108213 34.31541648 20.21919328 21.7057766 22.00099792 35.47393113 29.91169428 21.80983541 24.12625736 21.22779441 27.29898815 21.73366396 34.64171372 28.77018535 28.18404476 25.01713438 29.31912593 32.56777511 23.04821621 37.75770817 27.76613932 21.96678403 28.77499352 23.75253643 31.71647689 13.18515189 24.07422796 16.40287698 35.59656464 20.77096815 20.73533712 16.55937009 21.83610318 14.22391793 15.35920155 21.02251108 24.98074416 15.95055521 18.96593248 24.24261495 22.66700466 18.72633404 12.78010197 19.12915702 29.92444857 29.84569589 43.45725608 33.21616879 27.46499637 27.42951718 24.84292698 40.31155224 28.62386531 27.88381283 28.03666186 42.80845751 34.43516509 22.94613128 37.28752027 31.23616653 28.40967422 29.13403689 28.32798603 37.09225817 23.55656576 37.96127068 19.35853179 17.80002844 27.75621932 28.70859023 29.32484512 15.40131095 23.81656094 20.20917205 40.59184294 25.35704632 25.71214194 25.23719649 22.75390591 22.40943887 19.19211867 23.73345561 27.07715462 25.14341197 21.71994804 16.54747621 29.22964345 20.23397206 19.18796847 28.38340645 arginine 83394.7637 46667.51765 134442.6538 12414.83035 67587.25079 126659.2947 109009.3495 79334.5362 61276.13501 53738.46133 44134.77437 78496.37497 51350.95985 119896.8256 34658.08407 57936.8215 39009.82644 100060.2053 78579.40536 188473.7624 145071.5262 126135.891 36410.74955 8841.600091 71488.62197 110219.7017 50290.53495 37495.75743 16970.88879 104750.4389 40945.83591 63366.67928 118840.3727 92701.12369 105001.142 90701.11759 61116.13187 114665.3245 82435.1868 64678.78653 108436.1645 92667.67524 66199.21072 89055.41552 63387.24117 73274.41526 92865.71123 87422.92356 74968.53223 101018.1097 105878.6447 101310.3987 95477.66025 58479.49299 87368.13904 69086.01827 136244.777 54173.10924 42912.32711 70628.13673 86297.2281 107390.5905 82393.04331 111901.6947 89061.70137 136574.2641 105833.7107 79342.88459 99986.94458 87826.8153 116723.2984 87445.08579 3853.848894 51853.74393 89164.86034 80663.45579 82796.18977 109232.5895 89620.32146 81636.46233 71792.04125 55480.49345 126233.1425 93074.73302 84915.47099 96166.31305 76040.11335 85521.86757 73794.61542 72728.89839 68019.31331 94648.50892 105686.4988 73141.0692 77826.90325 68977.36496 84713.98587 78813.67453 82113.59461 49235.24041 98360.35715 92460.28269 41280.67287 92736.59714 69133.03503 95605.76329 45851.88263 84991.67245 92468.06778 96721.83643 92765.03367 69012.08734 73244.54304 85347.18396 64818.95575 88075.88626 110630.3848 72325.6595 83832.45632 85904.37992 83156.13257 77110.47543 97804.98398 91135.73084 69586.3585 87493.96 103936.5573 73642.7469 78385.07559 77048.11959 98404.96183 87466.59807 86048.45757 115435.0953 83610.66641 105675.1519 114359.4122 115511.2679 70529.79036 108579.959 80693.47245 105417.6776 188509.2301 89333.3361 93395.77347 78474.07696 93081.57927 128713.7647 97430.32605 85557.57789 96396.10759 70929.09193 102229.2274 94554.41185 118275.9058 96195.11067 103886.5219 43159.60417 46474.75068 98287.40838 105489.9273 102956.4792 103031.011 106161.736 73655.19727 114171.6081 88117.41156 95094.10796 106353.2695 97990.16229 81301.03607 38413.99968 118192.8523 51393.11778 93624.19876 116609.3906 94313.29931 120868.8875 85572.46056 86668.55533 63377.50908 105841.3715 109586.8098 104907.9809 115050.818 132083.8517 137176.9024 148890.6701 134585.0791 72343.68798 115536.082 122694.1147 126414.6811 127400.5366 119224.5894 112168.2886 101849.9302 96385.52334 147473.7428 100830.1177 120225.7696 113599.6045 114495.699 92342.81012 102865.3113 105928.3133 127311.1135 99088.05096 107818.187 138855.0968 102030.735 86874.99461 83887.60771 100399.8578 108868.5245 73034.59109 115777.4487 112494.4074 128178.2255 117140.4812 105397.9795 113300.5126 131123.8733 116146.8954 75926.56655 127093.8618 121995.6489 126196.8574 carnitine 1375260.597 1077540.909 2071807.09 294191.7262 1061172.071 1802502.346 2077636.245 1708714.319 1222079.33 1170972.955 1252558.816 1535953.359 889754.325 1864175.884 1419317.811 1350816.816 1302483.749 1659413.611 1708088.423 2603057.978 1941660.11 2753652.525 933398.0684 163994.9801 1044281.766 1914289.906 1210851.954 881805.2386 1159572.013 1425412.116 739589.0088 1094845.055 1270839.748 1078161.522 1584711.424 1675032.25 1290606.385 1639323.623 1342593.211 1038657.401 1486149.785 1702110.43 1583481.193 1577466.989 1224299.681 2639638.266 2944638.703 2725275.346 1722145.902 2570402.431 3003271.637 2776569.005 3108070.382 2564521.187 2309802.684 2080419.009 2685720.675 2461472.602 2405931.517 2467526.375 2106782.357 2987079.68 2067466.837 2654103.089 2258499.658 3008905.458 2604517.431 2793299.032 2725643.15 2197284.71 1580218.189 2507768.28 1718696.769 1485889.162 2840794.68 2184315.416 1881716.487 2212853.079 2595640.214 2739357.582 1818131.787 1871503.677 3436940.764 1829215.489 1552881.398 2016337.406 1900823.74 1739833.434 1878120.44 2065101.628 2168327.804 2355351.433 2361374.989 2007408.9 1912518.244 2239634.871 2172264.768 2194132.839 2401887.416 1641163.548 2306027.403 2272364.793 1220878.443 2374047.035 1833125.743 2547351.718 2024348.289 1975559.251 2070161.997 2434506.871 2568175.835 2401291.737 2306283.098 2463162.415 1860560.333 2259735.439 3489722.036 1527054.137 1898329.152 1663512.731 2560199.387 1609276.475 2101614.703 2684300.718 1767303.067 2526600.6 3110360.95 1507879.036 2342141.51 2300695.062 2080645.403 2422143.008 2071017.943 2391888.777 2038553.719 2357245.533 3703422.228 3212717.892 2416677.589 3287160.477 2635557.243 3305488.748 4676971.993 3743335.455 2580784.619 2447466.916 3399903.618 3055593.224 3009079.719 2760412.784 3191760.771 2847630.513 3456637.614 2397336.202 3291683.753 3160154.269 2741146.202 3617316.036 1209058.924 3046459.573 3936706.878 3047393.282 3393797.978 2314461.657 2129716.447 2454465.896 3421595.149 2965494.768 2942941.624 2956327.259 2312786.346 3220319.891 3404279.12 2089862.235 3471118.893 2941355.249 2941120.242 3218979.932 2591526.902 2718861.449 2409764.303 3060171.03 2657953.721 2793845.818 2553955.045 3768754.025 3007012.927 3679297.773 2701480.709 2450916.699 3276002.548 3267621.464 3142240.653 3337806.546 3867070.328 3415381.084 3060307.63 2929047.988 3203019.756 2643062.035 3249095.802 2712781.912 2604579.641 2888068.003 3264365.267 2534097.223 3208011.58 2946715.617 2767916.051 2592929.797 2313988.417 2848193.577 2575922.07 2385241.915 3352521.426 3358113.561 2530042.586 3103830.504 3740841.577 3936230.856 3059427.83 2524214.378 3603814.903 3259812.781 2779810.625 2799519.357 3399458.154 2882786.005 carnitine2:0 144256551.9 98547215.81 166032300.3 35556388.7 106804362 169543305.4 119935077.1 157957552.8 102558965.6 109771750.6 96541218.78 120730712.3 107491013.9 129524346.5 119701409.3 119142158 108207404.5 157933418.2 106014098.4 156082552.3 155350308.4 144559337.7 99360144.03 32559119.64 118549324.5 181004453.5 149286265.5 99976323.96 63890600.99 145304662 86272657.15 97096776.41 143409567.6 157049342.3 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3451323.477 4072226.624 carnitine4:0 11308478.29 7974852.115 13540405.04 5417288.841 9281950.141 15970077.05 12255258.08 15558464.63 11179841.39 11696711.31 12582124.15 11089732.31 5800847.801 14394836.77 12066140.25 8797174.499 10877452.23 12570616.7 12848450.62 16022784.89 14812316.17 16585061.23 7980543.073 3718923.627 8780694.425 11428877.14 8287329.2 7878231.119 9956549.378 9940669.593 7268314.605 7123654.259 12035543.5 8946168.117 16546123.94 13947732.81 7713791.117 11282872.56 10796946.05 8347248.842 9521851.638 15111585.74 10810316.01 13981299.38 6415746.288 10952396.5 9484734.236 8740243.103 8362768.454 8481398.624 11323972.1 10901768.87 13272668.63 8336757.863 11795363.59 4695507.474 8903827.241 11109326.37 10418661.94 9632500.879 7233424.037 13057022.78 8959192.771 7141938.365 5850063.989 12140363.98 7187879.446 8448255.082 12038343.97 8192819.276 7339004.908 11639599.94 12228609.42 7277649.237 11328636.49 6739232.426 7834380.224 10047526.27 9904207.986 11446049.27 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8450668.927 7902507.231 12417643.65 7566371.421 9264822.721 13390692.01 7200062.933 6864854.208 7273360.846 7986059.794 10560223.79 7027867.139 5677505.139 6338654.969 7915867.697 6337779.124 6177853.723 8341736.529 9576568.41 9684092.758 7509163.734 10048891.25 9642209.306 10418995.86 11199138.44 9474846.288 10079432.7 9955088.082 8796364.081 11381442.43 10499658.81 8359640.678 10797825.94 11058286.7 7856154.709 10433219.43 7044775.526 10325139.39 10814409.14 12172440.28 5729699.03 6801407.107 8210815.786 8540940.937 6972386.949 3752463.913 7051842.061 8169110.754 12207394.75 6398863.336 7768835.928 9587509.04 7957749.538 7742881.07 7502024.791 7815407.623 6909943.128 8511765.236 7849560.04 5417222.764 6765508.709 5895423.633 7314832.744 6745263.039 carnitine6:1 904.9933575 599.4179738 892.9781112 467.2095121 548.8233458 1177.138383 725.8403714 1046.226487 649.2003747 690.5138796 678.0323287 784.9652575 533.5994745 772.4947144 750.3324845 590.5357038 690.0855164 909.5231396 635.4018824 1141.401328 996.6504214 1031.635909 539.1185436 494.0401741 611.5301815 918.3428766 676.6814273 475.4788645 864.1040001 748.0754394 558.4260341 528.4059521 775.9092065 745.3986967 952.8030397 949.1735462 624.9178762 693.5149978 733.4085105 567.1185971 792.4401825 929.0608548 634.6116707 868.6220719 432.8908096 733.2080299 657.1399648 623.7484846 496.9555728 669.117504 488.806134 522.3805292 735.2252479 772.3890874 669.7041905 576.2013476 501.5481222 898.54004 799.7457765 735.9105353 465.7679729 564.4493491 631.0753913 667.0513369 675.0340209 810.6267622 511.7007266 799.7525684 738.4589329 642.6789032 551.8242298 594.1295979 1319.866216 525.1668804 531.4225279 484.936345 768.6745771 581.2578594 581.9586044 836.9018871 542.2655722 700.9803203 509.4619496 583.0305662 579.5778984 610.8301392 613.7132175 501.7146428 481.4077944 490.053282 634.3086079 579.7851709 424.5467454 584.30254 426.3173442 569.1793774 395.0913345 501.0249055 546.9557855 601.1895095 513.3317386 707.2362021 588.1446927 439.6766999 501.5333672 691.6226117 705.6047217 579.7877471 637.4270634 712.1013674 642.1371842 537.3360002 597.7518309 792.4568112 569.4709641 627.8876108 749.5687381 393.1228314 404.2333392 466.7886436 624.8099071 429.9126435 556.9367169 516.8584155 514.6671823 524.8846619 506.9962267 414.7559895 605.6961051 591.2458169 371.5859321 554.2873763 568.5158713 508.3272206 667.7031328 495.1990264 682.2927736 863.7110021 791.5548831 816.7409492 503.1561819 793.9292656 557.0852036 804.2364461 754.101799 672.1537531 688.8756072 690.12135 714.2211677 649.9997205 867.1407177 706.485337 706.0138799 750.0764971 841.1487481 1002.019598 801.8077278 948.9962521 677.6969454 726.581634 805.0603835 807.2396722 883.3014137 407.3356345 657.2296658 542.974046 829.5241577 551.8359401 666.0126324 429.4320524 620.5817826 556.8409265 584.4051223 647.1611414 860.0306859 669.1329616 525.3078725 602.6872581 780.288394 574.1745272 553.5009119 681.7449653 661.444909 700.8013868 783.2799097 775.904054 519.808711 612.6728735 486.0036226 775.3361039 780.8760173 765.1240111 628.7637761 889.6289626 869.3715317 687.1050084 840.5529275 853.1853072 621.0525371 815.4036318 650.5866412 952.118455 775.7391728 882.2165706 585.1545822 554.6169045 669.3917594 633.0335893 693.333488 415.0452341 574.1103547 528.5460074 866.16197 674.5480431 531.4838899 672.1664003 692.6404718 596.8159429 750.3800284 741.1775984 690.5726653 861.2049958 737.1738435 477.5752442 696.282144 665.9749252 749.2092316 783.9485684 carnitine8:0 6826.386776 3961.243794 5006.184268 2071.055593 3540.952998 6521.007978 3501.000167 6615.418284 4095.133494 3317.140863 3632.65175 4418.299257 4523.316677 5167.71478 4795.889168 4683.694542 4045.980106 6624.917185 3638.045234 5995.972716 6330.745367 6026.780005 3639.415823 3868.363829 4740.852461 8834.513802 6500.746442 2611.532322 3113.631524 4765.539447 3366.272562 3866.009866 4422.005293 6313.747639 5009.481931 6572.867101 4781.723073 5169.048869 5639.995886 3327.005289 6535.542773 6904.350023 3345.006492 6454.187703 2105.377428 3268.987248 2271.972398 3228.247822 2366.386407 2760.317052 1678.43629 3604.872874 2045.900988 3361.98835 2376.940624 4317.842176 2037.173869 3673.754056 3385.607324 4106.589622 3018.400769 3192.818302 3083.68224 3637.08249 5460.046805 3883.534458 2800.571931 5033.871631 4915.664084 2772.9819 5397.73503 1850.805611 8337.455254 3498.574791 2806.408172 2888.003398 4483.543699 3047.416402 3571.460885 4813.129697 4775.363142 4148.810722 2719.48241 4645.245601 6964.961126 4217.402552 5216.121247 4174.078528 3542.100357 2590.059421 1266.738252 2153.341667 1240.693373 1897.515109 1617.42951 2183.482442 1367.223897 1781.395448 1967.605012 2794.625662 1496.133246 2402.899279 1138.498592 2312.684317 2731.060204 3128.412823 3960.650807 2999.939882 2798.516842 3068.9951 2484.565918 3296.968195 4012.240678 4736.469858 3983.858764 3847.271793 3630.989694 3643.127149 2011.815078 2845.514635 3095.767327 1956.997897 3693.792892 3007.751336 3030.791077 3598.369588 2825.800593 4028.970212 3597.296816 3281.076037 3340.062641 3550.979822 3097.946726 2333.749374 4253.596978 1662.939809 2887.747372 2953.592736 3327.285649 2617.432569 1760.60546 2889.025917 1782.853847 4393.983086 2923.013437 3226.177922 1942.367357 1237.064038 2580.989523 2683.18113 2873.212577 2496.529338 3007.397448 2802.386334 4259.142808 3565.011027 4274.944511 3476.657018 5518.476921 3454.587426 3914.89559 3522.032427 4443.471318 4222.352751 3654.941926 3722.962458 3921.604119 2391.601316 4207.60319 2394.582649 3864.282216 3199.982813 4091.406298 6045.581026 3852.014103 2244.726205 4366.162949 3583.429066 4575.105445 4151.915837 2434.52014 3074.466344 2343.620678 2121.994289 2567.64705 2794.971616 1116.347537 1765.308625 1220.326569 3061.652852 2764.279644 3407.571649 1773.971737 3331.707925 3098.851811 3386.500772 3413.153979 3024.375074 1757.717227 2156.643034 2605.253325 3686.594526 2750.242091 4168.76492 3157.963255 2883.136779 2860.308101 2833.893464 2080.349778 3353.849986 2829.618245 2873.29404 3009.905873 2816.24033 2245.936512 3509.757437 2743.976318 1614.321221 4559.551835 4317.796684 2598.56331 4461.224958 5176.014482 2872.218094 3448.093663 3943.617638 4245.26395 4008.689633 carnitine8:1 27112.77535 14854.92758 34924.99199 16064.70116 13608.32464 40498.51223 19887.69367 25976.82275 13209.39416 16100.83621 15656.75679 20377.73776 14017.94241 21172.19007 24767.31409 12798.30057 16332.14203 29319.30056 16365.75924 26152.09033 26853.01604 41810.164 12460.89218 15576.25321 13348.54435 30381.66508 23118.49126 12101.77915 37064.57088 22267.75014 10785.50453 10849.96943 17507.53014 17366.94497 18983.73018 28142.02601 13361.41614 16462.69779 19027.79626 13865.07048 13476.22904 24897.99568 15569.88079 29430.17609 5953.710948 18419.90484 16666.12302 15457.10887 12911.96217 16071.3661 11535.7318 15244.56047 11968.68348 19419.61474 15420.31484 11948.55841 18070.98349 19261.91244 18496.95343 14543.63255 12171.84048 19429.08783 11710.78634 17279.82281 15655.59446 20176.39767 11258.70414 17148.39061 21592.59449 15047.55623 13854.89315 13799.55473 75345.47984 11987.2113 15270.16386 11023.22141 17454.20621 10748.5118 13292.25995 22185.66476 9417.121299 14012.36916 11205.59325 14179.43637 7840.518895 9901.428774 15209.00383 8516.751879 9694.35096 9266.724164 10710.79827 13835.76594 11245.6171 14968.67196 11871.77032 15533.60445 10071.25556 12903.9351 14587.71078 13343.75703 10762.01167 14168.96321 13991.18993 12529.37504 10206.06217 12359.86394 14464.18644 11291.37647 10400.27151 13604.03183 14580.56898 11430.16018 13269.01104 15810.56477 10357.41412 13595.02566 20742.22205 6428.218601 8670.12053 7507.787449 13432.5504 7103.303599 9791.4617 12176.71611 10356.3434 9641.815171 8875.704859 5763.474302 14851.77945 10634.4186 7310.452058 11158.29625 10148.40791 9008.388799 11472.90167 13980.53685 19504.68488 17446.77411 20091.40921 21158.77961 11429.36653 17721.12056 13718.99816 21258.26028 22937.68134 15954.04419 13772.37949 12140.15277 18172.7237 16984.2596 17402.48726 16428.4812 16071.24909 14682.34673 17599.38995 21236.55894 16763.14435 21087.3694 13270.8158 14372.33546 18280.35617 13692.60774 18359.91818 6057.719536 14949.06128 10880.01243 19450.02642 12698.48985 13940.0814 9011.736722 9311.378591 9979.991821 7629.244312 9715.088655 15685.24339 7574.547219 7245.111816 11855.94579 11670.05603 10280.55429 8328.796854 14901.92213 15966.89169 18119.89429 20744.60632 22807.82652 13028.14602 13430.41007 13060.93646 20020.10386 20482.52566 17325.70249 16666.01595 22755.61968 21864.03014 16623.34842 18015.52364 18749.48043 12527.53384 17963.38965 14975.72324 22810.77817 17018.00485 19614.19717 10302.37705 10506.96351 15583.27358 16080.43739 17653.86959 5213.300058 14455.08424 12956.75899 19163.40315 13398.75768 13371.64204 19821.27168 9535.178359 12547.66885 9442.168355 12512.53056 14362.42194 10980.92918 9054.607356 9349.064526 12168.58528 10162.43431 10356.71981 16408.40801 d-pantothenic_acid 1941.877354 902.9405196 2382.080546 251.5124308 1227.682937 1739.573949 1284.942236 1755.541074 1465.059444 1268.578131 1595.723795 1992.236771 1080.09449 2729.989692 1218.85432 1301.283876 1936.846481 2025.487986 1406.527289 2117.506693 2875.01462 2024.590193 1294.109477 235.0324374 1051.121285 2043.997534 1538.991884 1239.124112 2664.546148 2102.526674 1127.241633 1165.030853 1876.573808 2126.941875 2660.410054 1842.817397 1015.593396 1973.603937 1981.770648 974.4886167 2271.60818 1958.89953 1441.666143 2190.78298 1760.75715 980.7978244 969.0413122 672.0740387 766.8058507 876.7675405 713.5168949 915.8772857 762.3472965 1173.8581 849.5682775 1327.553291 1611.59147 845.4236905 913.388013 715.8256227 989.2568585 982.1758831 756.4646569 954.4404648 1389.146763 1334.736183 707.6227486 1304.170676 1059.14745 1261.735234 973.2911029 796.9088999 5417.464217 925.0664443 717.2077909 752.8671839 1143.065747 1018.904299 927.188326 1305.967631 719.6551465 954.8911421 943.2390117 949.7430106 988.7250867 933.9257456 976.0984523 1086.123703 982.0515017 721.5688126 1101.671931 882.0036157 951.8914671 1018.905395 980.1912594 918.890933 1057.506108 1014.319446 808.1336404 972.2029022 962.5934767 816.6296601 1464.066858 886.419157 814.8211978 736.1806186 610.4542657 960.6948789 1088.655714 853.3243779 925.4100001 689.1904597 628.6588874 1041.393505 808.0322722 720.8510166 807.7621398 904.8566514 574.9088434 831.2061243 1208.52792 947.4515427 927.9162588 660.1813644 704.799509 805.8717611 785.919498 1042.307188 707.7432945 840.0122758 767.7770671 753.9008649 814.8551698 1208.145461 768.6762299 905.9086883 965.69315 1021.086454 1253.567976 1154.31761 1051.504018 1016.211742 1439.183446 875.5196165 1059.727166 710.3331134 1314.884466 906.6960721 898.5929224 827.0382501 998.5764258 886.393952 1022.557935 1081.774736 1137.004754 1242.763776 977.8137656 1301.755648 1147.301291 1026.577593 761.5374473 1154.080354 905.4933529 942.4225872 842.5029183 672.5293734 933.1249373 856.5292549 974.2847846 894.0138223 740.0821961 790.8588659 739.8427481 940.3450884 989.4598687 1279.017405 890.5171695 1075.675661 1017.42816 706.3131819 862.5055915 836.8706854 1061.497273 936.3410469 978.7197776 1133.337146 1215.817933 1050.405681 1022.019862 1088.286953 1176.082993 1135.206429 1142.457264 869.969848 1040.606395 833.2028027 1000.757485 1193.361877 993.841164 1178.102137 1061.077828 907.8938599 1315.434046 1085.660149 1058.432941 884.7824726 706.5167401 892.6639822 825.696903 605.701196 839.3758483 1089.543096 951.6342112 801.12965 797.9754571 897.2860953 1011.447988 917.5435587 751.5735073 789.4276574 643.3298705 690.1460598 758.9618747 809.9275824 703.0863875 592.5096397 881.1439044 881.8060849 Erucamide 2768438.896 175218.3735 1988509.532 672110.0565 628479.1737 983619.6779 219669.886 1714820.138 323161.9138 1223124.851 1118927.093 1384375.422 1414736.449 745780.8997 344831.6563 325364.1678 256926.7011 1116049.573 622141.4431 834433.7007 1251133 1674222.844 269902.6627 220892.0292 1508906.864 1290703.608 1373406.844 367547.2796 268529.3036 2291705.87 1044430.192 327960.6278 326833.3473 1006475.389 741619.7328 920769.327 962388.6599 683258.2941 665917.4804 336632.3773 858621.6127 1087489.256 682295.6975 1158883.931 128973.7625 106208.4283 116510.8065 224965.625 127132.0157 146117.4025 251291.3872 235339.1069 250214.1054 151484.5384 160821.53 170622.8423 141572.807 186352.761 191480.0473 153438.9917 257447.7257 165299.8426 93237.26676 132257.0146 161028.3612 304955.9571 227570.9574 345720.9873 876326.4198 147236.5227 200246.2406 328936.4988 117816.1448 196245.1514 834994.7683 104631.5306 241069.9587 176896.9804 1049069.247 874317.8692 474587.0787 113028.8522 773328.4072 164076.7521 144039.6744 162270.5781 168025.932 251191.4525 208465.9284 115902.9959 569677.1734 249717.138 338053.5681 572862.2966 487513.4026 352312.1664 660497.3674 610556.3287 483137.7047 249476.6499 533402.2383 436900.1444 304659.7123 861403.71 759791.9487 534399.6906 210074.6774 593231.6316 574767.9237 602579.5997 191535.851 250995.8439 583207.3611 855513.8221 668776.7794 355871.2126 925192.4222 731884.4417 332596.6417 709675.9144 188638.2572 657748.3514 747210.8057 266632.486 806263.517 704320.7652 380677.561 655000.8586 830408.2821 549787.9249 781226.6939 346955.0177 466161.0517 594519.8273 746308.6138 657038.8997 363850.2448 169745.6655 209898.3679 169645.9035 459228.9786 258733.8382 149461.2687 585263.0944 540712.4009 273419.7344 260768.21 727593.9699 247084.6341 127845.8119 146986.0368 212154.6982 267679.9214 225294.7103 188100.5507 419511.8915 284946.4384 265002.3651 332696.6288 444408.5799 465640.0376 297696.1858 282866.2867 362648.2173 377298.5983 355153.7785 195284.2873 270705.951 1752069.594 391833.6031 130663.5762 177356.8675 177038.3976 235824.3441 172265.1017 135646.3309 169007.7492 103894.9648 124601.7758 147482.8472 156393.9333 135970.1661 350917.2836 360993.4163 452442.1543 221750.5664 349467.9895 351244.8038 323924.3217 393989.7526 446355.1555 731685.0381 695149.7818 305842.6709 599198.9306 484455.9929 555488.1085 427288.9133 382598.0066 645183.2884 499233.9617 569067.6721 607969.3847 1181580.145 364079.0289 379415.5842 295036.8243 307130.6259 234403.3836 1619947.176 272039.2618 306173.6929 161392.9093 354503.8888 234959.3268 223272.2362 311665.229 341546.3209 294489.0677 293086.0507 276685.4409 245639.6373 336577.5368 230010.1977 403092.3855 205999.0925 450048.207 233455.2182 FA22:5 214.8868804 137.8771097 227.9353429 95.43327148 141.9369732 250.2947814 125.6140257 226.4567378 221.5069744 128.242597 190.6612112 220.2889767 142.9940916 196.6162962 183.0236581 138.576521 220.9232941 249.6965671 216.5947057 249.4967243 326.1304658 227.9649521 97.44236857 65.05661714 119.8121664 228.8737926 261.0993605 115.0937879 118.9429853 209.4000539 97.32702407 142.2085585 135.8278894 239.2221733 225.8615385 267.8662636 150.7251882 216.019684 230.9238633 154.3763209 212.475933 385.2425892 117.9617067 217.0107809 117.0076407 66.95755944 52.63806549 62.80082816 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285632.4554 171856.5543 252121.3442 125082.6651 191436.6311 273276.1279 241252.5648 432470.3018 226483.0586 143848.794 108955.2324 297208.8052 140029.4893 421913.0294 183067.2835 112532.3653 153440.8246 438880.6304 220526.6453 370180.9469 462108.5266 492462.1099 71111.36218 123748.1267 136170.1852 347568.3485 344242.9585 134613.1535 165907.1527 279519.5913 92766.70325 151098.2223 148525.6692 284274.4091 625777.0435 225613.1088 79479.57867 416760.3461 233680.1272 143332.929 253136.554 297250.3143 174387.9147 366768.628 86277.41114 137652.4806 159667.4707 116628.3345 187590.1569 59029.71987 165659.9341 291254.8602 182013.6224 176688.9265 185588.287 111882.2345 143095.8804 175508.4858 139301.3009 184176.0552 150550.1411 206591.5323 120807.8586 89348.14919 130194.0838 320694.6219 137024.9136 127721.879 216725.6724 223703.0035 216738.6317 224171.5317 207802.4447 160899.1112 212921.8479 215135.9309 155444.3288 214459.11 269904.9443 233410.805 100954.5489 191549.4689 232327.2235 130260.7206 183723.4961 252062.227 110709.0882 243030.0434 132782.6155 143783.3937 183235.9603 105547.6152 111369.5327 133576.7698 193968.0873 142440.7989 186532.5706 237930.5201 129043.8846 130853.8717 184204.3125 113007.8284 76488.50382 285455.3962 189187.7199 133444.6847 144393.7599 249590.9375 230038.476 253439.9854 173574.0004 153444.1986 199932.255 248487.3707 289573.5075 252411.2891 391653.6597 375855.6633 235723.3384 189005.3745 279951.6044 231832.863 149932.9071 158007.9915 218935.2312 169437.8688 166087.1641 334645.3206 284077.4653 307134.25 263907.2856 304994.2227 201892.5392 266909.2589 263946.566 232783.54 118358.3421 98115.28078 80001.17568 197669.3925 103566.0373 128074.4301 136999.3928 115515.1153 106946.0682 109629.7481 84722.56484 118447.2216 78915.1978 85095.22587 135516.4983 63617.51429 82955.69709 128743.8224 117727.0512 102427.2254 48685.36037 84762.21432 102867.3284 149754.8079 181819.8321 119966.1662 99526.55886 268718.5223 167458.5339 106196.5238 123258.4343 71176.16821 103203.9968 184061.4441 113594.61 94197.10395 136654.8693 125007.8616 106469.2871 196688.9581 196226.9767 108961.0603 145127.3305 101625.3694 124277.4303 121006.0629 103916.8008 108028.9356 98062.95478 123617.1392 115116.5069 94247.22534 131105.3366 99186.33918 79477.96355 191276.0202 115020.8651 106082.3584 105257.4498 96229.62275 104145.4719 132941.2326 182812.574 96812.92016 90954.63615 132715.8973 115125.8526 109052.753 131252.3794 109275.2655 135598.2895 133316.6255 106088.8716 256616.7893 127685.8767 144518.3781 120557.8987 95335.97337 94286.70708 115368.6907 196686.4947 80979.85122 376605.4473 232564.2817 106088.493 126036.4573 392974.6062 161650.7164 130491.026 167631.3804 125822.6338 148153.1471 pro-Leu 27357.52546 14109.37225 23976.81326 3872.731443 18676.01416 21386.84852 16144.86229 28921.70458 23009.517 21845.70683 18827.92527 20903.81769 15022.3988 31863.87333 17800.26852 16147.2423 19897.0109 25872.11035 16464.59261 21535.08733 34638.35578 23860.06537 18126.09662 2843.792879 17376.19221 27307.73772 25641.50168 14185.08299 68059.77533 22629.17962 14628.85511 15560.92694 23536.35147 22260.92064 25835.36804 25670.21563 14288.23111 20660.71269 25555.33012 13032.84933 25335.61771 24561.02841 14140.03602 21599.0904 18916.10961 17081.97219 19909.91644 16271.39951 15500.12927 14385.96345 18499.72417 21561.66609 21395.1322 23881.41196 18821.96214 19307.26106 19090.39732 15620.9954 18671.49722 17987.97589 18798.33522 17970.55166 13799.11124 16518.24327 21553.21104 22173.17348 18147.35053 20401.53872 18865.82174 19381.81415 24868.12249 19390.93022 113353.4062 17628.13873 17520.64679 21992.6306 24352.63895 22517.07982 22219.52849 25328.09998 22183.46118 17918.16008 20570.05916 19269.07256 23555.44222 24494.76949 23637.81208 21853.49212 23868.74425 20540.15084 25275.98993 23352.98442 24255.23887 19346.75586 21845.94815 19167.19751 22238.68394 23722.39581 18830.2126 27377.90152 18314.10476 17966.57508 26253.80998 16818.05919 15754.87374 15644.82693 14820.57753 22083.40654 24601.03907 20778.82808 19921.81646 15856.17172 16634.38961 16061.5254 16321.02812 18842.6897 18569.01186 23161.8006 16841.88547 15299.1946 17542.62293 19595.64562 19800.35402 16101.77039 18685.79299 27544.30951 13679.44298 23188.35313 17769.02768 19341.08826 19988.34993 29254.51706 20745.66365 25197.135 17990.67941 20790.42908 19410.04545 23937.08589 21775.90326 23745.6555 18794.63493 24804.27156 25568.74103 24329.28832 23804.29001 19928.61023 21213.69049 19366.42369 23357.31074 20734.59777 21780.69999 19952.6551 22162.91025 23506.57955 23111.55119 21927.47163 23985.12667 24717.51941 34098.70496 19911.193 25447.04601 24463.82418 23264.60772 18335.1296 21477.79584 21756.36309 17216.2877 20019.70444 23438.9304 24413.78287 22876.27345 26724.52459 24015.13641 22133.13483 24024.17903 31240.78943 28468.23582 24106.94935 24877.54108 21191.80703 25528.75135 21270.13035 17527.04535 20242.98073 19955.55797 27668.18169 16852.37428 20194.87 19099.96106 23117.3989 24392.07604 22086.48953 20333.7112 21902.3478 22992.25016 22755.2989 20918.63807 22500.75029 25739.9475 23489.64496 23764.6903 19775.93143 27241.62569 21711.01534 27471.32502 18235.70275 20624.12077 20996.81625 23611.667 23144.90973 23157.08081 27046.05609 28994.08401 20885.88459 18386.16243 22204.37934 26990.40314 23505.77164 28453.44866 24020.31787 18741.15914 25568.80923 28950.90992 20247.56587 30342.73715 24877.03046 30198.84566 23437.35131 spermine 5410.868845 3428.2424 5763.78406 1888.739196 3387.293538 5640.460073 4418.607821 6121.904264 4333.262206 2917.727626 3707.19888 5711.295814 4653.776086 7093.064638 3877.63594 3532.006236 3960.257132 5994.764022 4261.098142 6914.376952 7357.447885 6177.346056 3530.55046 1360.976862 4114.783795 5311.814916 4857.566333 2658.818274 1964.621529 5628.982574 3084.67259 3405.783221 4640.963635 5010.337372 5841.353503 6326.793711 4417.855621 7159.046809 5310.440917 3908.439309 7661.434728 6334.725334 3631.162571 5900.917292 3034.1492 4842.294681 3871.127677 3305.613885 2914.772606 3247.885287 3578.435624 4976.722645 4963.387117 3054.112342 4918.426766 5415.079987 2786.250261 4073.818725 3917.949742 4612.85743 3856.074834 3763.496751 3085.330489 3441.749587 5347.078442 5181.861106 3073.306338 3643.810731 3974.635132 6712.46168 6538.303403 4000.317499 2321.689684 4625.6522 4883.332688 4181.017928 4326.923391 4088.483313 4306.518949 4727.334777 5563.392343 5773.278285 3101.837636 4021.049785 7681.616677 7250.045345 5222.524855 5831.280209 4989.77085 3076.346081 3923.842836 4532.122263 3346.103029 3042.592849 3255.381503 2798.676666 3382.737607 3628.895656 2632.50895 3396.331727 2897.311396 3904.688623 3929.770556 3324.387946 3660.811486 3023.414324 3348.983638 3952.767547 3099.121316 3203.350765 2862.818489 4221.896064 3808.921241 3237.270498 4647.150684 3771.802632 4311.862443 3945.121038 3803.358202 3275.914135 3048.396063 3643.887351 4595.393273 2831.015378 3275.360852 3877.43555 5105.183106 5602.070607 3312.455149 4917.508802 5846.047202 4408.468222 3340.639447 4962.560507 3769.105468 2764.952167 3426.436678 3931.134978 2925.249627 3182.1094 2984.086266 3448.162074 3560.476386 3473.031093 2654.955604 3327.538199 3347.751828 3796.357068 3259.054096 2602.535874 4001.597197 2672.605417 4555.754314 4589.401457 3752.97479 3312.158984 2678.037319 3491.660755 4211.576703 3585.777127 4355.269769 3141.455966 3821.487625 4184.731778 3123.117311 3596.822903 3117.938108 3164.612826 3642.051423 2467.115536 3835.515679 3705.351901 5826.554094 7377.929683 3093.760877 5179.267084 8273.037539 4297.434345 3337.601178 5417.155352 3669.488678 2629.216509 2405.759285 2887.16664 3445.46712 2961.668344 2639.011319 3462.683 3183.929856 2753.21755 2415.80974 2793.634494 3335.227437 2950.159166 2626.951068 2969.890238 2859.765484 2531.249992 3417.50163 3343.691715 3176.297346 3091.77171 3095.067098 3247.499978 14823.30542 2692.178829 3037.201468 2572.708671 4385.643626 4615.726989 3214.469477 3170.530232 2638.883128 3247.624485 3223.926128 2335.836352 3186.236554 2902.830969 5053.243723 4815.200742 2780.735109 5388.283686 6139.313903 4228.336548 3962.115899 4777.811016 3836.75412 2683.713078 tyrosine 2097784.372 1419877.232 2561572.452 241663.6873 1876847.853 1914242.662 1579721.143 2395161.038 2142712.953 1904190.957 2184083.051 2029233.287 1592764.695 2871509.916 1680844.965 1666270.082 1867581.076 2462230.441 2281276.703 2869120.324 3116603.608 2764391.279 1494869.574 243366.6364 1995930.208 2082012.673 1362511.14 1301005.664 3092661.94 2176066.24 1815742.126 1589169.073 2231504.209 2300911.391 2578239.502 2430439.117 1434052.973 2225168.015 2203405.963 1684277.793 2256995.11 2678879.168 1438593.325 1927642.012 1764161.366 1505124.629 1881779.452 1477192.355 1781069.141 1597848.405 1674350.034 1689735.422 1259392.422 1390592.938 1428680.73 2226728.422 2178157.579 2248378.462 1881905.715 1742553.249 2219752.969 2003336.448 2120122.932 1893263.578 1901204.402 2208506.087 1770586.716 1988726.827 2148213.588 1924644.62 3011555.584 1826496.771 2924541.219 1595872.458 1542728.197 1858387.97 2474730.568 2270090.307 2544564.803 3074382.314 1964173.893 1889897.203 1542376.998 1628838.454 2011002.466 2541912.914 1953356.176 1966204.95 2435968.135 1608610.116 1945356.844 1856297.899 2392234.596 1472492.928 2009272.267 2231622.628 2147736.024 1995675.502 1206040.721 1797427.559 1483459.814 1300819.439 1700479.721 1728909.05 2329453.797 1989684.506 1862389.547 2047576.864 2466079.654 2507461.67 1946048.424 1722412.479 1938822.964 2445548.718 2177481.721 1888262.938 2087005.114 2532822.1 2220727.57 2398969.256 2399248.981 2329402.558 2549072.207 2114102.623 2666221.352 2849541.946 1027859.318 1937188.751 2188985.574 1818048.04 2386769.191 3470441.074 2036598.28 2761537.359 2141722.224 2509536.477 1488065.402 1961404.245 2270669.638 1848603.751 1937448.325 1600708.461 2044588.635 1690330.525 1845253.166 1833654.358 1449799.923 1503854.073 1906113.061 1931244.649 1723334.016 2147198.296 1937075.369 2168728.227 2010027.51 1872543.442 2374630.203 1784902.091 1157411.877 1750457.221 3170126.945 3222989.453 2661450.535 2242633.094 2226983.737 2280494.378 2230517.132 2428819.999 2323720.888 1498656.729 2629526.507 2132667.688 2116167.101 2153123.414 2639008.145 2277358.688 2051730.314 2437874.873 2014178.306 1951614.244 2036730.578 1957401.502 1612869.458 1505898.417 2126590.325 1531824.197 1427224.812 1351169.828 1793777.215 1851979.914 1791381.571 1604779.262 1810848.14 1771796.042 1907608.824 2207214.434 1965950.379 1859022.8 2527490.632 1836137.755 2685759.497 2090641.341 2073101.914 1780750.535 1660227.882 2095467.843 1904183.451 1871077.804 2150148.388 1777489.697 2241519.89 1974738.341 2166554.24 1893829.435 2160464.604 2005104.059 1961204.04 1938733.706 2190602.274 1755847.535 2186453.558 1973436.427 1585751.223 2003743.485 2044958.126 1949837.522 2081223.451 2409807.14 4-pyridoxic_acid 355.9316815 207.4243383 223.0126185 47.02674179 192.8158714 356.5984487 169.0276413 273.1694764 143.5300158 342.8513729 325.5952308 385.2493599 289.5777858 242.6157471 235.292978 179.7539268 214.0089438 323.8535695 142.7803531 268.8554837 283.1191539 235.9669535 262.3844948 27.51920895 211.9859874 278.8926906 292.8000651 350.5258038 869.7076786 229.2313171 149.3411025 170.3002486 152.0328856 259.0954529 441.7617024 382.7779446 125.0173992 173.1588522 321.5400502 258.663985 249.687084 259.4680531 168.3843869 244.7792652 218.33598 117.2961144 129.5637735 99.04454104 186.0654752 142.369652 128.9800733 104.3706126 134.5541445 91.23847295 102.8632209 133.403735 189.0994807 171.5884738 154.968721 113.4664505 146.8293551 131.7832417 139.4439425 113.6070122 103.3006957 115.34936 126.8500223 180.6009014 154.8388001 78.70839757 127.7181069 168.4149363 1423.086046 114.6259561 122.1575941 128.8652554 107.6227548 117.1020053 114.9079378 124.4615024 85.91772184 94.97940618 86.40977376 68.75545911 110.8754118 117.5296974 132.1235762 98.87480286 158.8375157 83.7401304 163.9020291 125.4193474 158.5998136 103.9118561 179.8119364 99.86439872 170.0658074 129.857769 103.1355914 127.5469957 115.7090882 133.7095726 212.787996 133.4392616 105.0380663 98.8974575 114.5046165 113.1731415 131.5115577 86.11268905 79.83100363 115.1995304 72.14593192 95.94360139 66.65750215 63.98665741 82.24423766 97.45202283 79.59210016 89.42404225 100.4793349 94.11012019 68.85723336 60.88880703 94.19661972 100.7441539 80.60417903 93.72516294 75.19126473 82.61237556 73.4372464 117.2684826 136.7514729 133.3561946 88.15744193 120.9193121 175.2060079 249.26025 303.752897 153.7254618 247.7806617 133.7085429 191.2743261 181.1497616 177.3319399 151.0668026 186.4897348 164.1951664 146.7974327 229.8481412 181.4061709 202.6078246 164.4249737 173.6215561 196.8672762 176.8649454 162.8485883 283.9127528 308.3042485 145.3291717 168.720774 265.5128946 146.2530348 66.13215478 159.038833 133.9510505 218.7636721 170.1100869 171.8955128 200.5960239 99.99105876 124.0114988 63.88934543 122.2698376 181.1017063 143.6482661 117.4800975 87.73232418 113.6763491 112.7248543 118.7120294 171.0864676 200.6619283 236.0302835 219.3142485 190.0930239 243.3801695 164.5095853 259.7888222 269.4714497 190.3765502 200.2683898 186.6517498 226.4427369 214.2722181 169.7585967 149.4670761 249.0577312 193.2227968 249.593891 216.0171403 226.7521787 227.6224945 383.1965406 143.5718925 116.2994818 153.9262643 193.0777727 201.5343036 56.22658511 138.8688236 124.1630447 226.8625343 238.3429447 176.5349085 233.5396461 214.0346877 182.6787782 89.62793401 128.2185685 121.9569633 148.1079693 105.8393884 119.4840034 227.6544169 140.2663746 192.7262826 108.4820864 5-Hydroxyindole 6256.60425 4927.345097 5764.478638 1244.707173 3076.005872 6399.568584 2581.247346 7058.922567 3959.317396 5327.312934 4513.205817 3895.906123 3496.996515 9414.150164 4183.094828 3246.157212 3625.855952 5354.798675 3189.588622 5996.355897 5463.800589 5917.862511 4074.312806 661.2122135 3762.494059 4918.017782 6547.10435 3623.44944 26733.03782 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873.0063483 926.2158501 801.5551898 LPC_O-18:0 118898099.4 78488016.64 163740302.2 71361484.12 121921562.6 148820783.2 83312671.47 170356392.3 78556061.85 78507625.28 45523584.45 122449817.4 90661071.85 161807737.6 62392739.78 84686517.06 84095400.14 158388800.2 88135237.56 186727553.3 155731773.3 137137685.1 31308133.65 56747077.73 78409014.39 150412899.9 93543608.39 69966651.52 14240523.59 147117354.9 50348696 99591943.27 111092088.8 196780561.9 170562243.9 138999828.3 96231408.36 141627458.1 126610971.8 82328850.66 136520894.1 147521828.8 86904320.12 172552829.8 80792582.93 66411455.97 73417189.58 84711511.4 88665113.99 64099173.93 69111978.08 52802351.89 77155840.23 58393102.92 81965314.73 56944027.98 82825390.58 44452186.51 54621817.32 52448934.46 94726219.23 95913856.75 51269548.42 70821857.6 90430024.2 106558068.7 96381901.65 95949588.82 104169517.7 57990771.71 70374000.25 74464251.45 7244876.648 68017851.37 75282818.45 88796926.26 83917510.77 83417546.78 115522803.8 86652031.9 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82982.75655 391765.7509 383762.2304 341524.6508 332785.3236 492094.3463 349105.2415 448815.1722 388762.0363 340548.7332 383656.3634 402680.9718 503791.9291 522657.438 593835.1701 379324.0164 710211.1427 338819.1032 447015.6663 364135.0959 457818.6087 355071.258 426414.5742 306040.4657 428316.0803 533036.4607 408031.6257 568188.8465 554789.6451 451467.4874 400278.7337 429832.3818 457491.3406 370612.5812 270527.9303 220856.2356 189417.0073 332274.3198 216734.7255 223189.9598 265617.8794 164230.3817 190544.3504 217409.8849 396405.241 205564.4844 184269.4633 141876.0531 196419.6882 351144.3069 278050.2856 183430.9921 218205.2626 210371.0801 110859.2363 178630.808 228082.9088 252292.4674 346488.2464 219484.0112 210207.5025 503022.397 311337.7609 223448.9665 217394.557 175640.1624 413821.7531 276506.9226 231319.4058 234362.141 281905.4538 213559.5536 208057.1685 319545.3148 298939.7711 265254.72 138432.4731 322533.9538 130028.0813 399658.0758 266378.2825 301981.563 274286.1546 482019.53 379379.6208 314942.2874 317173.274 259007.6518 280059.6851 479246.97 356525.5169 346600.0332 354862.3478 292938.8931 231030.6136 338548.4826 295666.3197 221280.5008 319224.4715 342318.3474 228230.9657 353078.7411 286172.7618 258901.7316 227246.8029 278332.4269 281127.3243 728677.5078 236920.2562 263672.7416 220291.0425 316172.7335 277444.0719 280304.8521 305351.9052 227366.4829 451022.3597 300582.4367 268387.2701 271556.4956 615459.3395 297905.7975 296747.3069 343108.5692 312199.5728 348882.7574 LPE17:0 2043.65699 1583.626241 3194.077447 1735.091185 2000.128706 3366.158025 1840.812686 3298.907763 1438.833642 1297.669168 765.9364303 2389.224815 1728.745007 3118.210437 1350.187381 1425.311807 1645.468105 3192.456271 1764.612373 4002.11786 3104.751149 3498.91228 498.1942909 1168.142993 1410.923555 4101.175832 2129.710711 1382.084503 321.0146904 2984.040277 839.3750347 1987.466993 2272.55261 3774.204936 4304.916358 2616.025753 1999.416765 2873.403615 2636.814754 1893.015647 2660.224839 3214.84546 1891.67656 4214.144771 1321.270671 605.6393931 607.6593566 1068.985954 1048.196953 452.3160995 910.7332277 693.2979196 986.823559 673.389189 929.8091221 683.2602287 816.6403701 530.9964505 579.7047737 452.2980491 1082.384794 1099.997768 362.3551 483.835003 1403.087171 1687.688366 1281.778537 1381.233617 1437.115497 667.1613878 1080.527284 894.8258048 371.3118669 813.8685872 1141.708001 1410.973508 991.541005 828.0880896 1607.276438 1281.00363 508.2265247 530.5829709 1310.215443 1249.643821 574.538167 1127.551465 787.4432493 701.4688653 682.8030923 871.0085371 1378.725873 1419.635172 1671.144982 1768.816853 2845.096 1528.757701 1697.500637 1930.337538 1208.398281 1429.283311 1318.83261 1046.508613 244.2560753 1588.649704 1482.092009 1389.939357 1304.724769 2186.056025 1197.965581 1958.426029 1342.380382 1595.180584 1548.835181 1761.646234 1998.455058 2292.696835 2629.384294 1549.653745 3186.887099 1404.846034 1787.358372 1674.468771 1973.161437 1682.339996 1832.60396 1068.598081 1302.159935 1844.044544 1489.617339 2240.891403 1780.30529 1732.351305 1444.810417 1352.79797 1808.674612 1911.214628 701.0180255 671.2491694 555.8216011 1268.122794 848.1970534 609.7851038 783.7198335 435.2496742 655.8992095 680.4515055 1456.256037 627.1193464 566.5494042 349.6959061 550.3342853 1462.344892 865.8599808 596.1289412 627.572285 711.8155115 320.4992051 587.0017451 479.1070625 927.7496996 1326.885179 702.1795466 761.2601224 1563.047967 1390.896447 688.5544474 691.6087398 525.8260658 2054.724392 697.6598151 917.9269342 756.6492995 797.9355579 621.29537 669.4974429 1019.467463 668.4643735 666.9053243 338.6205282 893.0031361 464.6633996 1845.091885 859.8055472 1089.256112 1026.492839 2084.287557 1692.974609 1085.4139 942.064911 843.3272286 944.1075425 2473.917203 1226.093951 1221.61074 1158.125871 1203.301357 997.146278 1215.822025 1371.111131 1084.70112 1059.886464 1814.224895 792.5981023 1917.190564 905.594746 937.3911217 841.2682258 1099.398747 1150.015793 2479.085488 1026.540274 1022.854218 809.9058989 1353.176189 1256.525214 1240.480524 1458.785189 884.02622 1769.705519 1381.700408 925.0282898 1089.970991 2337.021015 1034.805669 1146.524094 1113.412559 1300.202518 1677.283371 LPE18:0 1080266.549 771636.6575 1589467.227 856917.3595 893441.2726 1847757.536 1004622.909 1839737.268 784041.3027 659020.4533 420956.1387 1301863.422 924943.2578 1542210.051 688812.3689 695800.3615 720253.0651 1430961.319 914002.436 1575816.718 1608558.677 1775864.702 229091.0859 707190.9897 815185.508 1949283.703 1080130.774 771919.7367 269834.6253 1485442.156 428324.4657 934211.076 968946.7705 1508278.009 2040179.548 1202336.032 1002878.653 1504204.503 1444732.001 962279.6688 1273102.738 1585910.278 1045478.103 2095796.654 499748.4519 348611.6814 313095.0096 543793.3924 472864.9371 204302.6539 498821.0279 402272.2475 504396.1687 332313.7531 514159.0517 454163.1047 363289.1995 253766.0458 219106.7015 235800.7525 527576.5582 611994.8626 185691.4594 305337.5872 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1313.382243 4708.428862 3440.37412 7510.211476 7416.335007 1905.603732 4522.797739 5925.183553 2187.581428 3201.108246 13428.00037 14448.30276 8900.411914 7632.105936 10675.2058 18396.20026 7792.932708 8064.754489 13222.00968 24515.79413 5548.135034 14526.3427 32163.96357 13919.35772 20390.74729 16260.39866 21619.79067 12329.66744 18611.4241 5720.231459 10777.80199 5776.556245 18612.75307 29381.55515 5678.352398 11308.07678 3503.548827 4592.882631 3691.732234 8469.145555 5142.644318 7366.992413 9986.658089 4617.072587 16217.54126 7261.645144 3896.804859 3238.644276 5753.552033 3839.954902 2404.662545 2523.748006 3522.74144 2154.170064 3107.58476 3872.42941 7738.723477 25048.41537 16281.09556 13195.20326 13332.67518 37880.67693 30418.9839 28047.68576 13414.07982 20619.14503 6609.465719 28384.43621 13565.23906 16023.00962 9433.141155 9976.575745 8768.697305 29197.56685 26369.55386 3750.992029 11803.1158 4857.27923 7589.300195 13497.67201 10195.77555 11882.56925 13860.78746 19501.92159 3284.849149 22081.86837 9187.597491 10873.95681 17802.04558 15386.4014 7118.436255 6811.983711 23088.76833 4827.442317 4602.178393 6391.776467 6755.128276 3847.940475 7809.108914 6421.534331 4792.406914 4775.685188 7615.613532 histidine 201035.7741 157258.9453 235083.6794 26083.8225 156227.9339 222787.052 181588.2347 214534.6292 170353.3351 137491.1132 161484.9668 215110.3108 157799.2627 271643.0852 173922.6848 164973.7752 172720.5808 274628.0485 177884.4753 269541.9067 270890.3031 227202.4184 135009.6424 21243.91151 167760.7209 290532.0229 217529.3826 142327.8051 428433.4123 235395.5741 138317.3848 152974.1559 189658.7994 253094.1257 205708.0084 252888.6625 179743.4663 212030.5744 262845.395 156520.7843 222973.425 231116.5314 177496.893 248340.8783 148803.7885 143668.2476 151834.7852 157875.5135 152626.6314 132841.4446 176677.5861 144344.6736 172843.8816 111635.8874 159787.7455 132142.4987 160119.4813 138071.4517 156943.1401 141526.4986 144171.6165 168612.5667 138250.1457 138627.9928 140035.0838 171218.1213 163265.3122 123438.3133 166645.4087 139117.1207 149515.3908 138585.9798 411924.9905 114484.6872 151121.0123 125021.4699 130014.0839 150579.8066 149762.0062 139222.8562 124883.7358 117372.9404 151979.9145 146801.2937 132294.0983 154636.4252 143957.0226 147327.732 139411.9859 121871.7101 139282.5537 161605.1035 147285.435 157255.9735 169775.3868 155095.9631 166344.3893 128795.7425 150054.4857 125322.3473 146113.0034 124452.6981 117566.9834 174653.0248 167667.4222 156442.5141 151242.7151 138134.611 184508.8803 153136.5712 160771.7297 146035.3972 154276.3448 148082.5929 139569.1306 130979.6923 161000.7065 157693.8066 131547.7544 144809.5965 154032.7928 141451.5757 145386.487 141292.4207 147640.396 113797.2212 112498.0728 130446.2893 143978.9106 133929.2136 130022.0012 176049.5107 144547.4809 138291.8977 141906.997 151930.2269 187039.2419 191661.2255 163004.8314 188627.4904 169091.3184 155966.3541 179421.3145 158018.7837 173919.8779 153698.9643 171637.661 173600.8947 174518.7159 162549.433 176643.5636 164622.8988 201596.8118 153633.0531 178843.1647 163260.9392 181547.8839 177945.4778 155824.7507 150663.4343 192442.384 193327.3824 165716.5474 165205.7192 166008.0102 154468.0891 187197.2842 166263.5869 162292.1071 182437.9375 161451.8326 152362.8399 122358.4203 141910.1657 140131.4368 144714.4707 111226.0462 169789.2797 150546.9563 123604.0759 140033.8154 158274.342 161844.6351 157605.151 156497.4905 143660.7013 186160.2193 171349.6004 176737.2744 139706.5533 162940.5961 167035.9216 169028.4477 150482.4188 167532.985 159580.1576 178062.5052 178374.0061 172065.5804 175928.7833 164935.6315 134753.3651 174069.3756 166642.4231 127024.4454 142423.0224 153087.946 136008.4857 137915.0854 150246.8848 157471.2634 127094.0794 134678.7536 132836.2427 159315.954 136755.9698 167641.8938 163935.2084 104157.3883 138061.9044 138708.145 128562.6904 113298.0651 163855.0699 130295.4637 121329.7397 142306.6635 137104.9642 lysine 458746.4311 293653.3768 650191.4429 26715.00684 356972.8021 650365.518 499202.4142 590740.3802 328547.0037 330992.8062 304379.7898 506457.1867 349921.1912 622419.9037 322131.6979 348355.1049 336399.5162 591889.6081 402681.4261 859650.6697 705709.9519 617361.6961 248041.4679 20795.06781 395021.9459 678337.3629 424330.7834 259031.3518 508712.2157 632886.6282 239279.4559 366413.2905 523945.9762 548608.6334 626945.1748 573671.6189 351349.6161 620014.611 576032.3592 354631.6084 570637.2946 616436.5853 401725.085 580207.1219 360279.9686 375943.1746 445403.7543 447553.6154 404459.8234 421195.4717 403313.0838 486147.7315 461164.6172 309700.0518 364148.8059 429257.5465 522337.5961 332428.9717 417240.6227 358070.8778 430385.9338 431999.2293 428991.9243 511328.7475 463825.1118 491705.4556 498697.9747 445833.3299 518123.8166 470249.5746 477099.1494 371545.7112 575443.3628 325522.8853 389515.2591 452369.7058 446091.135 432495.844 454986.406 435332.3815 388511.7471 356099.2263 527072.5138 441472.4793 452121.1802 485128.4857 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408518.0869 414057.9717 488451.9526 380341.863 363879.9221 507722.4086 382926.529 520454.4292 348940.61 415101.5954 305826.6053 449263.8098 377859.5242 408817.8489 477213.8264 454313.6413 457831.6411 472598.0189 421715.201 296308.4737 483676.594 430654.7871 428081.5596 435181.4439 476344.2319 445655.0132 400718.3956 383631.8869 464726.5492 395572.4231 444370.3748 427038.4949 467254.137 394826.8005 421525.8591 434974.9901 443871.2794 368041.5694 380656.3175 522470.3805 416779.7785 361498.0732 357613.701 385998.0709 398287.5077 299975.1295 454995.1037 441829.7788 504248.7238 465284.4378 386076.0433 477161.9775 516968.5325 464048.8232 332995.0297 489841.5367 533203.7531 485394.5596 proline 3105932.424 1751800.641 4398478.626 234031.0857 2166765.141 3859734.423 2939868.732 2888232.228 2400497.536 1916595.033 2541786.892 3472376.763 1942407.754 4840654.538 1978907.426 2309441.36 2507634.584 3490059.526 3001050.079 4865320.134 4516168.813 4421450.744 1600519.008 191036.4393 2512475.548 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49.5688649 61.37569628 37.85792496 62.09242786 51.95913885 36.56759775 67.2364692 39.59527809 56.79289161 40.45041241 58.63323601 45.20799545 36.6065153 39.17542433 69.13019376 38.83252914 59.96756459 74.16037498 57.34983333 47.55453099 63.43867713 60.19353182 39.1826118 52.34472063 95.85787423 39.0067816 48.85178271 68.28566536 58.56267604 48.09893845 50.97217571 66.88594828 34.45395396 55.81872568 60.37593593 75.68508401 54.80862238 83.84479736 47.23188345 62.65436575 52.2004452 53.57202594 41.44280997 38.97286022 42.69544676 40.60844922 43.21925597 44.80505855 43.82931489 36.55164506 50.48474214 47.20225702 40.64500016 48.49801866 35.26640168 50.37167088 56.27662048 40.36363678 46.91151486 42.21230814 44.85966583 30.16276797 53.12403584 48.57182176 48.23129319 51.89313679 52.43289869 30.48971047 28.57459879 44.86369783 52.68638868 58.66575496 35.73998621 35.73288639 36.3039401 36.73773056 40.15651477 36.6656805 40.5095776 42.52750525 40.94520876 54.64497583 41.11814644 50.29558882 50.21486119 56.73398937 40.86816252 40.38072895 63.22007268 49.8796794 66.22268451 51.07350159 63.42999957 47.89216704 51.62053862 59.22409911 50.94552946 71.42720584 64.28846466 59.73844189 48.85984671 39.15912103 57.34930741 44.88394548 55.39957313 42.43196441 45.44246494 83.43029037 71.95232983 65.93834096 68.36209803 60.24822676 54.92555034 70.36179403 52.29397004 48.82250689 50.3888507 47.76954169 60.2746977 46.64601652 51.43033347 42.37534113 49.3503481 59.52509657 34.83471488 50.31241803 58.7739177 48.01926265 35.91888424 55.674012 48.91594408 43.71054623 36.11662747 62.8791935 67.05406509 39.26386534 58.03036457 66.71546486 66.63894454 75.25558851 68.52653345 73.68170662 66.55900579 66.43909765 74.94161853 65.18821391 58.18945321 49.96268598 44.19429841 58.58327429 50.53356439 76.52812233 69.77540119 49.75740466 69.591507 52.12927166 60.02821988 50.8692721 65.28682258 55.00934579 55.45856303 49.38646079 57.52303396 47.96281467 67.37609907 57.96138233 66.73606312 54.51034214 50.74848744 42.81614376 53.38672931 40.07867967 47.92039103 51.28193839 49.10176662 53.92771834 73.39341872 46.17374677 51.1231127 60.2417405 threonine 6111.54299 4686.554061 10103.50776 310.9066088 5696.988657 8424.324508 6331.917802 6364.554513 5070.924121 4182.396623 5073.691911 7461.965191 4548.157221 9554.573906 4321.042089 5917.878088 4470.631663 7899.028389 6420.233904 9864.215448 9136.993102 7624.164299 4648.996021 312.371856 6237.78093 9653.900841 5371.846391 4126.764763 7484.356141 7468.184493 4174.078626 5767.483223 8410.565079 11087.6127 7982.910358 9273.843344 4196.983281 8646.791616 6367.616633 5758.97053 6636.339116 8241.806636 6025.836545 6500.226525 6126.292352 5419.266285 7360.400623 6798.761256 8017.882507 5774.561747 7027.818777 6235.455548 7456.316266 5462.981471 5859.204219 6847.207646 6989.755258 5651.80731 5373.622421 5817.319906 5638.108209 8047.772452 4980.047721 5723.34848 6341.955156 7377.856533 7087.387516 6413.170919 7475.022618 8290.117744 8504.215667 5182.935545 19684.12888 5668.840922 7924.098465 6146.614772 8410.576048 7549.586603 6381.323046 8519.81054 5800.166551 6648.062007 7406.762943 6418.801563 6527.202428 8403.291859 7133.707789 8815.049151 7929.401874 7049.257271 3927.435397 5511.205743 4453.587996 5141.799851 5325.450251 4174.198368 5930.663123 4635.304233 5413.943681 3580.131611 4722.102986 5096.792176 4009.830182 4199.487821 3682.457596 4286.019667 3768.500417 3332.283644 5576.508416 4821.270874 4339.83802 3026.427248 3759.574567 6814.675138 5626.335045 6036.511917 8272.521067 3988.723494 4361.179623 4624.907651 6942.508123 4521.984781 4283.869784 4924.701965 3592.181738 3664.221988 4363.970265 4237.316425 4105.001776 3638.916997 4003.211434 4154.408849 5406.616532 5020.56185 4157.379562 5547.71078 6003.965698 6123.439553 6909.005791 5681.211886 6764.768985 5539.914715 7634.78757 4691.423289 5706.079954 5287.753272 4938.815137 8437.658897 5867.024964 5084.610425 6163.386047 4812.413579 7246.043707 4693.157271 5749.668085 5441.738587 6202.663445 5703.829524 6325.017521 5570.831155 6122.524574 6661.277567 4711.827975 6922.831033 6672.521487 5559.196928 5007.276821 7017.516344 6193.269593 9562.535417 5962.343722 5341.299234 6010.702362 6690.71322 6101.848411 6254.1619 3939.252437 6508.785835 5234.155209 4761.623525 5081.549219 6953.641441 5902.299669 6075.434658 6209.775789 5140.017424 9260.68537 6260.606976 5819.76686 4148.487532 5903.440422 7832.725728 5624.142201 6967.944739 5117.463769 5746.775981 4676.838458 4161.637279 5604.199119 6529.669491 5414.173112 4518.476597 6079.132967 4989.612503 5275.240629 5955.208526 5978.041884 4474.425035 5394.395475 8482.266211 7076.941575 5802.700341 4673.967378 5092.686194 6493.396627 4182.771389 7769.107678 6567.868291 5132.27346 7966.258826 6278.406575 4141.746298 6002.988562 4907.469086 4579.722647 5414.333073 6646.934964 7159.306196 valine 8001286.445 5425204.172 9249917.037 424100.3279 4726552.802 9299722.657 5260783.555 8613746.998 5327305.847 4693079.976 6315956.65 7910016.48 5307832.161 11104881.37 5464012.321 6147714.308 5485769.985 10050160.2 7167774.023 10469982.04 11165712.34 9759402.024 5599342.872 382577.2161 7759431.494 11464836.63 7678828.889 5099481.146 13047633.34 8692817.217 5107926.941 5722975.612 7510831.699 12742584.89 8967902.023 12460611.3 6192909.368 9066374.728 10816607.65 6737027.929 9903751.009 10876361.28 6035836.349 11163961.77 6525215.913 6202639.248 7221982.986 6632118.471 7601046.817 6069485.917 7203765.59 6197234.244 8492432.8 5789640.994 6931576.495 7109593.476 7272358.702 6017413.173 6819687.65 6274761.494 5492958.054 8138013.448 6042173.279 6043491.209 6813255.345 6927068.107 6541078.434 6901041.018 6750075.636 5838484.159 8591421.144 5964713.444 13123320.06 5710675.6 6307069.785 5261877.663 7441365.262 6414695.421 6663717.526 7566035.361 7300091.412 7218427.936 5963095.794 6760571.365 8296533.286 7693027.62 7412768.29 8447918.96 7145463.061 6306429.014 4430421.557 4956258.484 4864163.159 4999405.297 5258071.576 4559765.679 5756005.876 4438562.024 5461172.89 3736320.957 5677662.079 4554091.817 4226182.813 5300715.347 4459442.854 4633900.034 3932885.722 4090600.147 6138941.247 5619477.416 5323719.134 4333553.875 4582503.978 4903825.596 5059328.57 5256188.025 6076924.47 4737676.206 4096922.461 4144291.757 5208042.355 4017017.157 4411818.736 4460592.303 4276728.116 4122776.538 4024185.913 4785373.678 4323829.438 3943956.354 3992205.495 5481960.113 5026167.51 5044041.118 4400712.849 5415132.189 5837888.837 4581166.708 5679141.363 4485767.148 6697081.686 4070966.655 5023311.28 4944588.469 5761151.278 4806202.566 4835486.339 6607535.522 4544090.758 4262282.658 4653425.938 4720561.511 5293276.794 3842363.204 4667358.823 4469885.314 5224250.404 4479902.481 5716936.412 3637927.023 5097423.532 5812689.816 4350267.618 5409485.957 4559766.038 3819678.974 4622952.35 5456060.698 3614471.53 5313698.901 4338273.542 4530169.615 3789647.837 4738110.174 3646234.673 4873985.707 2971249.578 4692622.164 3471380.217 3824573.311 3886158.607 4993353.415 5467403.614 5868836.704 5846165.156 4461820.688 6835547.354 6347208.215 6321261.388 4122248.078 5892873.594 5191237.602 7055589.742 5374178.649 5010722.739 5121781.636 4731884.617 4254506.534 5673979.245 5547428.055 5753965.393 4994833.141 5575895.336 5448992.898 4464614.034 4527221.547 5162357.903 4590383.103 4981173.368 5657943.02 5305836.408 3914643.211 5278643.818 5769861.925 5391236.401 3909173.058 5032838.336 5271539.051 3271204.813 3641579.327 4876925.265 4273258.771 3245086.88 4674806.052 3952664.266 4841518.411 4248260.448 4761447.277 asparagine 120307.8968 67054.34159 130746.7724 4526.774565 84248.41523 136341.5037 78235.68674 108139.0989 80371.72128 76953.47398 106722.8305 116150.7499 81475.47134 128954.2772 83708.1166 95255.05526 86380.07005 125751.5252 88696.35474 138444.0188 125702.0471 120506.7077 100429.4293 4389.904443 95181.70597 133415.9188 114271.4996 77221.96547 194764.399 112831.7401 79123.97356 74756.22204 96558.03591 161073.0502 106368.0974 147462.5449 84783.75396 124976.9829 136310.8827 96016.68556 126319.7761 131342.5261 89275.71291 126227.6611 88988.68289 60179.37996 67292.41201 64686.01125 79083.11176 54516.5382 70855.82227 65783.1374 84540.35825 64826.89077 75289.43756 75668.81461 72150.42367 62316.96741 69124.69507 65376.62037 67757.60106 89453.11648 63964.76873 60648.10686 74674.17255 81019.89596 68716.86955 73890.98926 79273.20517 67923.06778 79323.92753 55734.86721 152641.6443 62708.35537 67006.06339 57619.05766 65660.52484 66600.46477 74684.68981 76823.60303 77205.50076 70096.10285 67872.98979 76449.30192 92669.84457 79247.54156 82341.39292 91539.74456 86430.33814 71054.56404 63578.01725 66945.49529 80434.79526 85785.34581 79943.29576 57668.83692 74025.08934 68032.11158 71956.50355 50469.26457 80133.64593 69787.7692 74323.87352 79718.51511 68590.42535 65103.67016 56765.68027 59142.10841 82884.76279 73612.11135 75929.25767 59822.39284 67326.70175 73593.52098 76097.46727 70525.57023 86178.17064 74729.94615 54114.67247 60099.61662 82120.24889 52605.18308 59297.83308 53079.64263 60746.45812 62076.5985 53776.79172 67402.40385 66390.89466 61908.41112 55799.63233 74118.59919 61433.04303 76348.51392 64324.12347 85755.73945 62555.76613 56585.4005 75433.8969 46288.07354 74159.61159 48154.70066 63173.13213 54485.1691 67264.45237 54514.11133 62305.23053 76722.12375 51953.70509 43906.15223 54488.60819 56437.97361 64340.37339 47046.84492 61288.70466 57177.54234 59943.492 58559.06919 66536.85753 49818.21616 59555.65423 70036.27047 55062.59417 61300.96987 54548.5097 41814.50499 55748.46065 57242.03836 42756.46443 61525.0222 41623.47588 53647.35034 37204.96003 56603.07247 49151.57455 64062.84347 36381.03838 52180.30033 41914.07585 41993.25407 47395.33676 55214.8748 63024.76708 71698.69721 67082.39257 61480.08187 83245.11741 73615.01471 82691.86971 54137.35372 71739.09487 58437.7108 84367.53191 63930.26173 51663.41373 64665.49764 52229.00565 52815.7901 58831.27382 58373.58757 60975.20619 54081.44186 64414.24607 60835.40061 48164.58837 46358.24543 50420.77157 53397.14803 58033.93172 56344.48104 61956.71648 44672.26594 52021.14398 49162.35845 62876.04158 44320.20663 48733.63666 64837.21546 35601.30407 39174.12803 43471.95207 39465.13041 35047.34287 62949.22546 45944.73911 47583.01318 48958.27164 53339.10556 leucine 21484096.93 13404409.02 22790414.74 954490.7747 15544890.23 25532421.04 15084981.8 21971852.34 16247899.09 13575503.06 19478522.05 23208072.91 15752980.19 25341608.42 16357934.98 17982339.84 15815484.37 25015301.81 18006845.94 23753237.17 25197158.39 25224908.49 19207254.53 1009354.738 19472190.04 25376516.36 20277362.99 14607776.5 36557115.3 20040356.68 15581494.35 15845472.95 19835933.24 30124295.2 20655746.43 26704712.33 17372632.07 22655392.22 25573169.82 18079520.5 23746892.09 24066184.73 17337149.83 26292792.93 16778699.61 12551063.91 12435701.24 12424353.87 14533549.75 10757527.37 13973469.96 12090867.45 15437344.16 11724884.61 15627557.83 13443928.65 14359794.67 12406743.54 13310719.96 12632096.98 12886392.83 17434918.95 11454350 11615073.55 14432879.9 15970241.45 13469730.01 14903921.9 14771041.82 12995149.45 14654052.2 11641016.91 27490619.61 12612785.48 13347967.73 11029833.09 13167945.7 13536438.84 13861896.57 14729882.92 13800992.03 13745467.47 13816172.36 14355200.8 17045210.53 14760479.31 15323923.07 17213709.64 15677852.07 13253615.23 12451919.73 13685378.56 15321227.19 15711956.29 13970400.51 11257487.4 14406895.32 12637515.3 13354053.97 10467435.11 15685893.17 12717853.68 13204045.24 14886873.52 13131117.21 13058516.13 10215248.31 11874484.62 15422285.06 13035619.53 15101860.05 11784392.9 12582243.88 13545342.98 14060364.39 13799292.07 16166028.5 13686092.35 10109595.69 11600650.23 14724629.58 9901887.671 11587739.6 10936790.97 11629082.71 12157390.08 10901323.67 13239933.36 11914320.79 12351918.92 10124922.17 13326819.43 11905917.11 14304494.45 12744159 16407085.86 12653823.91 10106807.81 13656042.38 9268282.69 14635447.13 8711634.971 12743116.42 10559712.07 13293272.06 11820310.4 11968314.77 14846928.58 9750620.114 8856235.367 10612181.5 10160112.47 12630535.13 8914791.329 10684615.4 10939902.5 10923370.81 10679756.82 13350127.56 9820539.516 11373190.71 13989683.49 10433414.6 12569945.68 9894028.405 7572123.926 10529947.37 11351344.39 8306005.165 11005364.86 8561533.127 9289952.173 7388479.131 10106228.6 8840629.23 11922224.77 6633533.89 10198966.21 7071574.777 7710800.555 9331332.618 10734002.52 11190514.64 11949843.91 12341083.99 11319156.27 15664112.37 12996172.42 14805160.74 10103275.42 13676981.5 12332367.94 15311840.01 12133292.01 10357723.17 11010616 9951177.877 9511600.288 12073120.17 11563721.09 11228372.85 10500133.88 11754136.74 11437258.19 9063299.232 9322603.739 10047228.92 10010494.55 10591695.79 9827733.023 11476842.76 8483577.081 9126532.157 9515822.546 12845832.67 8978371.141 9294182.174 12374683.68 7012300.313 7430521.671 8865467.529 8248470.549 6902811.29 11104679.35 7901788.135 9619931.882 9671905.063 9163524.122 acetylcholic 109.9000469 45.30952617 166.1295494 6.739385672 50.71445185 164.153903 81.2221586 144.7829174 46.69101953 45.18489179 46.00573426 142.6920107 51.42851144 98.67317169 49.71900714 68.36965664 48.72820871 175.6025769 52.45215987 191.7865418 120.6791676 139.9138624 36.59245629 7.865496766 45.92927446 150.4261075 122.3964972 53.35247815 47.83017281 147.3074767 29.61399107 43.21886404 54.40384123 100.8289632 122.9274772 156.9186698 49.47854187 167.0411981 162.0482424 57.1020246 155.8557318 168.6573692 62.25678489 137.6357189 39.71671152 76.65853531 96.77488178 86.94164547 50.35562876 80.08757009 87.16377017 87.94483397 87.73640357 83.52149568 56.5926458 57.30548268 82.52270891 91.61197012 70.40692733 73.23349471 98.0611672 85.40837368 47.01242786 76.96527118 85.896885 93.13497119 80.72174629 80.16541562 84.31747649 83.23627941 98.32902106 68.46029982 243.1365556 55.37140827 87.09741805 82.04055566 82.74442604 85.31838261 68.59341161 75.12126936 79.96725594 57.20611754 108.9010156 59.29066615 76.46225044 55.84850767 73.61554919 81.75501334 57.1999225 57.72006111 64.395051 49.80541161 65.26349744 45.66288785 63.14927786 69.51027716 67.13374666 61.46055955 64.79503848 45.86773165 55.47819116 57.41780849 36.16565081 50.83973833 46.03744308 64.11497009 55.93898783 68.7306806 51.39957409 56.72306764 50.9380438 45.61463177 49.47381408 76.15584062 55.56671498 75.97251642 84.50243096 42.05134401 44.51248568 47.54283719 68.56202886 35.61893875 67.76596654 47.68352975 54.20967571 64.80066293 65.04487783 60.16066135 70.96602947 54.59613193 58.31266536 42.7732289 55.69648471 71.88297653 60.54165615 61.94523972 100.2478524 107.9137222 55.8564145 75.03633214 60.47473345 84.95695108 105.6295467 72.43515 70.95869324 68.71796447 70.46447597 73.86383977 68.92346039 68.10278095 91.94242647 47.89986698 63.54347788 79.64234252 84.99493644 62.45836815 73.18132597 75.74933204 71.82159675 67.353752 73.20414979 73.32193702 97.15473539 66.84526985 57.11180624 64.54780758 84.25283616 63.06621545 75.740121 68.30379361 69.10556189 42.00202825 57.84013072 59.71942795 73.07054892 83.52834283 66.91520856 90.76642902 72.72778401 56.45765919 59.3053386 51.79426319 89.10860438 75.14376713 73.22077858 94.41685487 91.79056653 108.8501511 79.19238717 71.61308483 98.77644949 106.7846767 84.89663098 87.87326499 101.140916 87.52870678 85.59259453 58.18925369 74.44185308 55.52546907 78.92559299 54.41598676 87.45330666 81.25590525 74.92017518 66.97691439 73.43124683 73.75224758 70.75221916 67.09478313 47.9817882 61.18447281 61.30821053 65.22958776 73.79797674 83.92564036 51.72668838 61.41091773 51.22268947 83.38031404 68.87495977 79.01444287 57.82822973 71.14218047 47.76960817 68.86794959 89.75647488 57.76831719 aspartic_acid 4948.758487 2733.827623 4577.050115 385.8089294 3020.717784 4201.537049 3465.143196 3436.887775 3243.933018 2651.880525 3223.96557 4999.505857 2848.96581 4921.566037 2956.932356 2904.360792 3261.284827 4906.456812 2924.960545 5080.712038 4833.827133 5004.486858 3646.751395 240.9712649 3429.833246 4155.659235 3851.392237 2837.86528 4316.433458 3728.782076 3050.131095 3175.648728 3240.935351 4764.965315 4396.256028 5015.274304 3134.130943 3888.277993 4414.96642 3123.100775 4312.026207 4183.58599 3190.583703 4819.146686 2965.021997 2489.076218 2623.025853 3100.582854 2820.099332 2522.197418 2394.538257 2692.920893 2919.425628 2539.853338 2867.460396 2543.461589 2317.541466 2246.553231 2240.41198 3068.94821 2291.361933 2985.667084 2739.401735 2322.770383 2001.693687 2933.385463 2485.110967 2539.006644 2810.995831 2155.501215 2947.362299 2690.728837 3383.875154 1392.880135 2522.844835 2511.346694 2034.76436 2866.019174 2926.672823 2999.858781 1911.00481 2666.181305 2748.398514 2380.909449 2947.918105 2372.329642 2641.339106 2927.271601 3031.152008 2449.386406 3079.20535 3183.614647 4049.787466 2568.087982 3048.060873 2818.741693 2910.052487 2865.141785 2501.886665 2428.60343 2881.201121 3114.707023 2589.966986 2738.887012 2639.453995 2521.286502 2660.39186 2122.492875 3042.847538 2741.023346 2966.61008 2967.330692 2760.579016 2116.200041 2660.602471 3233.022794 3189.992009 2826.378472 2537.693866 2578.853706 2801.90744 2457.610629 2652.96758 2801.961746 2524.674697 2828.403361 2429.749513 2846.294448 2656.758581 3012.524727 2103.318761 3681.490429 2809.752469 2400.106702 2637.9358 3043.145511 2562.145537 1961.615236 2362.918251 2092.62387 2215.295892 1806.442986 2007.172883 2499.42497 2786.024243 2268.931374 2128.160015 2912.597765 2608.949378 2194.455777 1983.834712 2681.51153 2210.836697 1831.521768 2667.669277 2319.432716 1920.446423 2319.243827 2095.981371 1863.705135 2198.028611 2411.701649 1917.496923 2218.770031 2392.226729 2250.815509 2102.518344 2030.036942 1523.108186 2628.735493 2007.058133 2617.567435 1933.810787 1899.252614 1690.379243 2307.89963 1672.031046 1876.679443 1662.327822 1796.34829 2330.306579 2160.358493 1878.893693 2150.541936 2225.847227 1848.212466 2175.001163 2472.80391 2750.554209 1962.154042 1941.355482 1806.333431 2205.715918 1978.769183 2201.643001 2303.835685 1879.790444 1563.682943 1955.219929 2228.566283 1855.851606 2192.706666 1602.114283 1996.646575 1736.419974 1929.082897 2080.429674 2163.594161 1376.847244 1757.379561 2205.150196 1779.752037 1784.334482 1974.981016 2083.451424 2030.82272 2312.785242 2409.094037 1807.940403 1767.838813 2125.23932 1819.575961 1835.553602 1873.298331 2129.009071 1975.430572 2346.900471 1881.761027 DL-2-Aminooctanoic_acid 21801.10018 41805.58403 59079.4394 7252.942632 69962.84869 43682.16547 35940.13032 40353.66666 34202.42766 38751.36097 31758.37331 64227.99013 30708.28621 23000.72325 35247.79941 74119.3348 59668.04139 49985.32636 27635.28115 61869.69626 30296.83995 20120.93646 27688.87417 2379.05589 40953.61938 50814.6072 55113.96213 42390.80833 12049.53077 43581.73658 28647.29602 84935.52208 26661.49911 70427.63385 68929.57768 39855.31462 22779.63287 52865.0902 29341.01577 38928.91375 40011.7542 38177.54387 31022.03539 45189.92765 55109.53796 17639.93755 42079.50859 39757.9493 74106.7717 17949.2449 25495.59469 32436.987 33574.34518 42857.13409 31410.90725 48906.28537 14136.14481 33146.85048 61516.1313 54683.48857 47965.8955 27405.5789 29885.44133 12498.68927 90454.15562 25182.86553 53473.86126 44914.81189 21146.33503 30400.24417 42243.03003 29597.30012 30672.16047 61110.04981 46718.48537 92998.70944 26294.41633 57190.01251 67119.99413 30808.24745 29734.98947 29668.86336 22482.98214 52681.75794 28876.19532 21482.62154 33438.0482 31157.72706 33702.73265 61488.32272 16268.56588 46384.05006 30737.7201 25727.56109 80562.46506 25617.29737 25667.05387 27552.37424 28150.96106 39684.45721 31928.88836 56366.11056 19293.91977 16619.13963 30968.94002 75229.345 41525.60998 38565.58985 23552.07536 41969.43547 16079.99767 77125.91551 17042.79252 58204.31623 23155.43517 42390.30008 45710.87173 44693.64739 68132.77312 32282.21156 46885.73391 87831.6626 34430.7093 59835.24934 57838.77406 34049.67812 35537.60652 46155.06252 23468.75728 61110.97629 38985.64975 31523.09099 39047.99405 42090.25578 36036.81446 67388.51157 19049.77322 50630.34845 31530.47285 36530.37703 65600.53357 24016.77582 27628.16753 26567.2503 26720.55043 43288.06824 29050.35277 50353.97797 36575.92642 20192.02675 40607.48039 49623.866 84029.35558 51461.74697 27111.25761 41363.20915 14717.19729 43720.26241 17539.4116 50269.23222 27894.29553 43598.40973 42793.04801 48713.36004 65946.54726 39761.10816 44971.44906 105233.4466 34516.58801 53380.20893 83604.18503 31869.98881 37371.88038 55362.47815 23192.71151 72484.994 41259.1908 32816.19169 42797.59041 48644.26213 30894.79675 82283.72223 13682.24625 39091.46635 27644.58127 29394.53291 63567.45608 16558.4877 16648.15528 23977.6871 26235.86796 45105.13248 18708.28429 39393.5895 30280.65033 14912.84559 37028.42554 53148.00253 35797.00737 43760.37291 26756.76793 40855.81464 12257.94864 66419.50311 38726.53301 51293.20135 17938.07947 40336.41821 31275.30911 58575.21434 60864.52324 31235.52685 37207.45187 120239.7398 24551.98773 44607.47397 62964.24038 31299.20352 34703.61385 56815.27082 19502.6147 69024.71239 42450.46142 29528.18279 27625.87339 44173.6792 32192.64457 74944.96442 D-Pipecolinic_acid 52738.26043 35142.03891 71206.02857 4764.065917 41842.46758 63803.59942 53686.53049 66760.44922 40965.93734 37989.50739 31875.21331 55272.17609 40935.66531 77910.94053 37478.84455 50274.19192 42601.10749 63972.39418 45857.85369 83989.35757 71330.11859 64796.95169 30673.614 4835.269811 43584.66168 62687.79874 47716.81463 30540.86185 58734.42737 64088.22626 27704.19565 35802.45231 54259.01578 68792.56359 61823.21742 62919.6445 34069.3245 61395.04327 63893.31159 40217.74183 58546.12191 63510.15377 44934.28269 66501.28884 37483.76585 36629.2942 42969.96791 36661.94319 35416.06645 31783.91294 38241.19324 41817.68305 34942.4807 36115.17007 32387.39135 39760.79127 43517.01522 31383.01602 39692.19224 35013.28933 35878.13238 35730.53978 31702.81304 36031.2463 42229.42142 42524.48198 38125.76356 37278.04533 44456.15489 33940.8046 42689.24392 33186.60703 59224.8958 30264.33093 32702.17093 36432.02749 35060.98887 39558.41275 36878.40723 38632.77816 28394.40391 31317.12869 37479.41609 33561.64756 36624.71476 37977.3181 38613.18378 34587.61678 33861.92676 35069.90738 37287.85232 39807.63083 37421.59442 35840.56565 37671.04931 34073.27543 40958.07466 42251.14527 40840.25555 35113.88746 42164.93712 39108.78538 26748.81428 45715.89281 38571.367 52073.87296 34911.37006 42137.58867 44535.41198 48385.22781 43603.58303 40702.6462 44126.44406 45578.77132 41591.78415 41426.89045 50389.11594 43886.23352 43385.14442 41364.07626 35897.59678 43464.71131 44626.74974 47483.52488 38657.6891 44157.30721 42386.20494 46100.63527 41405.28233 38198.08026 47786.33951 43342.58162 40595.47625 51592.73612 44808.8929 46248.25813 44953.50851 47953.6903 41651.55368 47152.68878 33537.60372 40608.45964 48394.75347 41433.63854 36582.4493 37923.53282 34788.64034 47332.88051 42085.18328 39171.32359 44010.35559 36995.7367 46082.0718 41430.39803 44353.4255 43689.83569 38729.769 38201.0893 41449.60604 42210.26504 48423.21295 42005.71965 46062.73915 36715.31183 37705.04613 40783.55915 41288.34456 41826.02112 43912.60982 39198.55987 41537.30803 41577.01136 43130.27148 44330.23808 39898.96681 48209.84876 45086.21614 51631.64356 42399.79014 43904.76851 36932.48451 47731.9542 42513.17403 42449.78653 43520.93588 52112.55784 45943.39059 46052.15053 41333.60126 44202.73306 49319.7916 48235.33658 43445.41428 48666.89368 50256.68962 45210.42368 44357.18591 45843.01324 49059.7285 44315.44392 51457.08354 40326.95401 46490.29903 47015.48361 50615.16796 39460.17734 47799.314 41147.52142 41669.36044 54913.28824 41755.95674 44113.46957 39412.57394 44454.19634 39882.32272 40020.66563 43467.4426 42158.64484 50861.596 51613.74421 41100.93469 54069.94648 47963.83201 46574.61451 37424.95066 51096.14989 53834.56999 52931.98217 hippuric_acid 666777.7186 481204.4462 927584.1449 33055.56925 575816.9739 810550.2682 382344.849 850239.0689 502478.1837 827275.0818 519336.7575 657560.3217 344129.4182 949518.2375 375471.5012 469745.5517 504125.6707 551082.3044 565855.3708 676904.2026 656428.2151 1033632.518 460933.8779 21160.74406 426084.6003 413741.2426 369203.6828 453930.9842 863059.0888 785173.4935 285095.3143 376391.5628 622405.4846 510059.2789 931657.4835 833434.6769 178599.3807 500763.5386 653920.2566 360291.2601 600227.1141 612167.4644 402271.163 540046.6923 322064.4685 564490.95 548148.2073 350228.7677 542504.5544 523535.1411 545001.4506 386714.4349 770593.473 569891.0918 871103.3139 225936.9672 564978.6629 589234.3172 552590.2835 415070.1763 255277.9208 465654.4022 374212.4825 381853.9461 279809.003 821890.9481 534070.2748 372595.0919 569594.3294 786340.461 360842.192 644042.0481 120797.7284 465511.4585 535841.203 468507.5104 456447.1955 414416.2655 483188.2154 565207.7111 271158.6105 479601.4542 538303.4022 459303.8858 782602.8662 434169.8789 623224.0481 632308.5628 430113.4322 340540.0523 909297.0943 723466.6086 850735.0639 539877.164 880185.5459 500382.8257 748529.2608 739880.1969 619937.8303 571769.3712 1121297.551 726794.0789 1071033.154 810010.2581 380056.6089 578865.7209 372115.9479 556362.0075 371836.2356 328241.8218 597802.3862 312656.0449 357648.1542 185063.8739 211698.0753 228947.8742 216355.644 293361.4176 374429.8655 304744.2864 413190.3868 289890.3481 409329.5907 191594.5947 497404.2745 335901.5705 354191.6823 229146.5566 611801.7295 352757.0012 355182.9816 365080.0897 690837.3536 861052.077 395332.1321 628216.7401 862608.5546 461879.3887 391789.1694 305655.7323 675766.9336 337890.2154 334675.5455 320619.5621 562051.8587 308633.868 557339.8448 569494.2654 429660.2348 619294.3204 283841.6979 422639.0561 432210.0311 262693.8423 612636.5295 408203.9166 420615.2928 450557.8132 1154466.471 382096.6847 597304.009 374768.5124 214768.2271 307838.1138 325680.6297 316657.8941 329562.368 483228.3382 401635.9937 493357.8249 329429.8955 276016.8224 177405.3895 433362.284 299340.6913 360348.2982 226686.845 290994.8809 380039.1843 252661.5634 279181.2963 227032.3283 746325.6853 578816.8361 491606.9141 520144.4636 672324.2457 416535.1587 664923.3139 361588.2009 715193.546 315620.9643 661215.3239 468422.1668 407747.7927 390573.3639 360558.4176 540594.007 391264.9977 628012.1519 437840.3156 458538.2633 619551.9491 562839.3717 824772.9646 366081.9538 587510.114 654395.8009 790577.5393 164057.37 561308.3257 421716.3255 297160.8501 558236.7751 473703.0347 405195.7021 699656.5369 563945.1747 241968.1569 511749.7098 539708.578 524756.1208 456841.1247 305362.9735 1279352.311 488183.6467 558614.6844 298708.1091 hydroxyproline 37121881.88 22388161.29 38655066.08 1688874.093 25323351.15 43902239.01 26476199.75 36092745.38 26010486.43 22668412.15 30333181.58 37277213.22 25588586.25 44081127.54 29073631.16 29718023.38 26754580.38 42808700.24 32118910.77 40345701.06 42075562.87 41504736.08 31173247.77 1435355.251 31691694.81 43752565 35763220.77 24908778.19 56459301.68 35009913.54 26628468.22 26304450.18 31734553.79 50355413.81 35498737.48 46654017.77 27009253.72 38861173.14 42889644.24 29333228.23 40843186.6 42244280.6 29134229.51 43563343.4 26864845.48 17587888.77 17058727.09 18195591.36 21519500.72 14615997.96 19028747.33 16786529.08 22103935.07 16541129.18 21190865.26 19700286.08 19974626.19 17013521.33 18455805.36 17432001.57 17379273.2 22577009 16008720.78 15853885.7 20447651 21473431.98 17973804.42 20021085.61 20103699.94 18110201.78 20366688.69 16358089.15 36356826.98 17253592.37 17643460.92 15095916.52 18094226.06 17417467.9 19453876.76 20464655.48 21142248.86 19049118.02 18678637.94 18284547.14 23926553.72 21649585.48 22352458.48 23576002.95 20845482.34 17860382.66 20501230.47 22550734.3 26331933.45 26971021.01 23902325.27 19102729.45 22292860.06 20337219.22 22713954.66 16711995.79 25827691.41 19896812.15 21422392.7 24587992.82 21868358 20585504.7 16295256.09 19455836.63 24699268.08 22031139.11 24183684.32 19169412.5 20908188.8 21380851.43 23830903.43 22562268.43 26825708.29 22864618.45 16457987.42 18480469.84 24056599.14 16702095.13 17655487.39 17449359.02 19153617.77 19971617.51 17227310.99 21704721.49 19949559.07 18989438.95 16756730.68 22025104.62 19018851.03 22113212.96 20425738.27 27178290.97 15066445.12 13368697.11 17058687.51 12032317.48 18060877.86 11044747.29 15633240.29 13528936.64 18152632.34 14426073.19 14901277.59 18828253.32 12559171.91 11076589.62 13707017.11 13564310.73 15428801.79 11294915.71 14001751.47 14107933.14 13418088.27 14657317.47 16598098.16 12608237.51 14262397.44 16586515.79 12805430.67 16114469.58 12365962.37 9837012.391 13542236.11 14152504.37 9915670.612 13716754.15 10932139.62 11652705.92 8694585.096 12729716.37 11293423.68 13948948.44 8755853.309 13060185.3 8886278.516 9760908.657 11700168.77 13687308.33 14798149.83 15789300.02 15217917.95 14270418.87 20235566.31 17151748.28 18643278.7 12488988.47 17861249.74 15251266.5 18706649.68 15496543.55 12965845.7 14162870 12078706.14 13106617.2 15330247.17 14296708.96 14164058.68 14277041.59 15476971.86 14205184.69 11700205.53 11881643.35 11984956.01 20706960.9 13822017.98 12806825.72 14598546.75 10999967.07 11573327.91 13102542.49 23260103.8 10466591.6 12290845.4 14854910.75 8226190.528 9841203.522 10863914.52 10111870.18 8816319.405 13890503.47 10350795.05 12652934.01 11427945.87 11759855.36 methionine 172000.7233 123538.6769 181638.7161 19393.10656 148514.2408 191263.8838 164941.9897 182389.0781 202404.8301 127204.3424 187764.2027 177027.0864 131775.0874 269624.4684 151074.2264 129548.6928 191759.6516 196112.7637 198076.5054 221148.9776 220683.6626 168182.4819 128027.6722 16185.33662 167269.979 187106.1502 70906.59123 123069.1908 194653.2601 184884.3903 156215.6127 141107.7686 201017.2036 199373.1449 213389.8124 207777.7932 108581.9863 170055.6361 127050.6878 153972.6853 188134.9189 195795.7096 134262.1371 180336.467 141847.1593 126150.6425 110764.0241 84816.37406 112657.1153 94085.87619 116465.9995 100392.0023 120780.4082 128137.4975 142073.7218 134256.9431 156893.4664 106998.1702 103839.8912 107982.4423 87830.40758 136655.6707 119139.3182 92312.38297 96317.12113 156900.9538 131004.9562 106009.4113 123000.9535 141978.9032 154923.5719 127833.1567 308649.2902 92166.54728 113286.3451 90415.93165 130218.3879 158665.6851 105444.5632 139670.9348 114995.6803 118336.4168 106762.2505 114964.9119 138554.9508 130466.5935 120376.9818 121227.8838 151902.063 104485.8497 134812.1743 125388.6459 176750.9491 138691.3054 131408.3906 127130.0881 139143.3517 128959.7086 129071.9191 115859.1518 135089.2745 119142.6264 124912.1918 106903.1559 97296.93034 94935.08413 97326.80386 108333.7728 124391.6246 119744.8154 98151.23639 84374.20436 88277.13602 140440.0951 133308.5017 128635.4188 141282.4789 142979.7961 97787.81581 95760.33571 152226.3407 107556.2342 95298.10517 95096.78551 98480.39651 107462.6422 123473.2604 103808.5673 111889.649 113924.2888 86857.06691 136892.3616 154336.1258 135622.8467 110742.0494 151854.5778 112390.9904 111290.7642 106515.8988 119958.0573 137361.568 104122.529 117283.0925 91889.4271 147013.9243 100355.2368 100671.2241 171388.366 121277.7023 108527.3933 108459.4717 112844.8106 93969.5864 134906.8171 104829.0696 88389.34252 115804.431 114720.5299 117603.3069 78334.04726 111429.8636 106958.7237 91675.68578 118926.4519 91773.04941 93791.55986 61184.23174 82525.77762 77780.9376 97728.26454 86808.56289 90267.91048 85441.85619 90287.83948 80061.13005 110656.0287 80489.12011 83834.57115 92248.5806 80984.3206 92847.19774 84046.33875 120181.0759 125121.8458 110633.9182 89260.09759 104633.3195 117388.0873 137477.706 110323.6643 112269.7104 99002.52992 130599.6319 108924.0955 115076.575 80887.65217 103006.2692 119380.0963 151528.3103 110592.9415 106148.6027 106067.5762 103937.5584 96993.84413 98225.30291 100704.4617 86986.80118 97611.28355 87769.94936 98201.08686 96943.02278 89705.62741 87622.59941 80965.49033 98400.33691 73943.59425 94225.8946 119810.0122 103539.6617 73373.33638 93145.92099 94497.34532 88523.73142 91829.73998 83227.32397 93259.10636 92053.1901 103569.7869 ornithine 1823.882782 1062.171213 1484.203333 119.772141 1086.466778 1862.265911 1154.259015 1411.280803 1311.82456 991.1128987 1344.909515 1594.915761 1324.39068 1770.190573 994.6282653 1213.477263 1133.342876 1936.982543 1561.760693 1727.439821 1823.157896 1766.60821 1245.713856 77.44829639 1686.265044 1798.471648 1638.556553 1196.167637 2093.152069 1564.935235 1169.809205 1181.320131 1759.966212 2332.861894 1698.315447 1779.190691 1370.701204 1676.272833 1651.329506 1552.512455 1586.364364 1451.83898 1197.439012 1488.909834 1384.623224 1282.339106 1023.948565 1026.28565 1188.838536 969.7293428 1115.48832 1078.466154 1187.451865 944.9760987 1074.441692 1245.364072 1336.655707 953.3280643 1176.407577 1035.982609 984.7361602 1539.875833 1065.799928 1003.241595 1374.308496 1261.810145 1096.582464 1054.584643 1188.96357 1114.137095 1487.520047 1023.544638 2000.411441 1015.015833 880.2758262 930.8772392 1262.036842 1291.560078 1178.915659 1521.582683 1157.970307 1232.006848 1014.708896 1275.283055 1448.090683 972.8984311 1279.710664 1512.288482 1179.418522 1030.979687 1039.700523 988.2710024 1322.518675 1197.00704 913.5017854 1038.563141 1221.344673 1018.961613 1185.085176 816.7183887 1305.417828 852.1182272 1053.907667 1259.895292 995.5358336 878.5783229 697.8962731 805.366384 1001.718205 1185.391335 1107.161673 829.625724 956.0059751 1023.661103 1264.904836 1215.473913 1284.490004 1162.57125 873.4573785 851.2270184 1024.89859 696.0215408 909.4714809 984.581523 974.979606 961.7439102 767.128934 1064.945723 879.6120939 758.5381961 807.4311993 1147.412132 1055.10075 1155.335243 945.9413151 1357.966813 1168.579897 1090.469427 1197.657919 947.0736332 1482.787059 766.0978896 1263.916638 905.5151842 1363.490126 1016.970026 942.3242853 1301.542551 876.2007277 951.1424995 800.1870124 1013.065146 1218.912935 863.4717899 808.2698236 1082.348054 1118.466546 1050.403207 1024.36145 709.0001572 749.4893895 1165.254614 1090.876859 1176.804102 959.7199939 820.417606 935.5708864 777.0327245 812.9595758 995.5085676 736.3978139 948.4197946 629.2432096 996.2256634 776.2451266 890.5188837 581.6036634 940.6906624 680.7650448 747.7813693 792.2931157 1126.263454 1257.837488 1007.97692 1264.534018 971.3945164 1357.80088 1219.383079 1313.90145 705.9919383 1412.987655 1140.064724 1336.616755 1133.337033 918.5023699 898.9538158 1007.184648 847.2508565 1149.499929 1179.775317 1248.659752 1062.935051 1154.627106 1123.733558 1003.87105 861.9581373 980.1098988 944.4728462 1169.082371 1234.891591 915.8369236 957.5874031 915.6125633 1158.703762 1071.820651 826.1485299 884.0365868 1155.370299 927.058441 697.689441 855.4033907 771.5483632 587.7914875 961.5094226 821.7684416 1181.966725 738.2222989 771.4809772 phenylalanine 778594821.7 517259658.1 798208206.5 56980722.2 663569234.2 876099820.6 523530118.7 858660022 602235118.6 532400433.9 764913332.8 789564810.1 586147904.8 935760349.5 597639091.9 641684523.8 685059830.9 888516597.3 635231663.9 830723101.4 827494871.2 793443168.5 728007772.1 53713559.78 623230452.8 822285135.5 812179992.8 543590283.1 928470517.2 766065698 549755975.7 593811715 693553107.5 929156178.6 797201004.3 883096549.3 599592019.6 809851387.3 934597572.2 615678622.7 831069541.3 827752012.3 640235397.7 955932504.7 646251417.2 326185416.9 301555771.1 294153173.8 364509225.2 287425119 326713457.9 330618194 375582645.3 329274403.2 413347910.2 326576191.2 358184634.4 342129791.4 327188444.3 310229631.3 338738856.3 410219509.4 298239141.4 264195930.7 341611821.5 428473357.7 345964746.6 369675108.8 363724045.2 377529649.1 381386693.5 343380132.3 907368954 358509911.1 335585890.7 291824922.8 319394900.7 414580413.9 357327019.2 408929302.7 376192575.4 359366603.9 395354529.7 323872257.5 397737223.9 405486755.2 398212995.9 412212714.1 464407895.7 322088727.9 399700064.3 383744111.8 408597884.6 479937370.9 466950518.7 347795263.8 418134045.7 407984270.8 420233000.6 349807069.7 425452396.1 351890720.9 398500757.7 415325347.5 395129744.3 379462882 319718077.1 366002287.6 433689753.4 352739864.4 390230263.7 342716250.8 377488682.3 383944426.8 377611483.5 343564609.4 391240489.3 385378272.6 319308201.9 381806728.8 389606576.5 311898602 334803834.6 323335894.2 360823993.1 364446780.8 357127631.5 430002897.5 397323804.4 365418377.1 305875541.9 409861415.7 354305166.6 424638365.5 378764431.7 464791494.7 318598421.3 326185563.9 363817426 299566457 346588734.2 270641109.8 361053424.8 303054070.6 377780506.8 313523978.9 369567613.5 398158616.2 286638977.1 280072543.8 354852054.1 301645510.3 372813653.1 295648751.2 322123338.8 335613188.7 310795777.5 353261122.6 483671448.3 303905630.9 325885959.3 376286579.4 306874278.1 322569936.7 315770131.4 256409139.6 293455761.1 312939765.1 261653825.6 290834265.3 241498814.8 283559437.5 233071706.8 310221567.3 287934211.5 313583914.1 231800917.1 294842789.4 228352001.3 225156379.7 264643368 285796735.9 336186937.6 330104822.1 316571582.5 312561759.6 405547576.8 323942705.1 361472761.2 287623784.4 355733940.4 400008114.1 369817200.1 314825734.8 273975980.7 300442219.1 303365907.7 314841363.2 320845513.2 333847682 307666220.5 278459863.7 327910476.5 304741392.3 269368374.3 260806526.6 275871586.1 281736778.9 316712393.9 288513578.2 309872209.7 274136799 265559309.8 271024905.1 339419073.9 249349689.9 263435439.5 339486042.1 226381953 216678276.9 247285082.7 235646959.9 174679972.9 322262557.2 226471142 247314531.5 260110949.6 248265664.4 tryptophan 480443727.2 329026955.1 619329511.4 44235687.29 344771305.1 497578986.8 399939375.9 570332308.3 366261840.5 328276249.3 360064127.6 427597368.5 363717529.4 615524884.7 290900274 386065649.1 401684013.9 495354561.5 412411430.5 613058441.6 602604519.9 524620256.2 295787428.7 39501299.39 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272467373.2 288397376.2 287599069.7 246579478.2 279155760.2 260474306.1 264621916.9 289770419.8 255271847.7 207285484.5 306671911.9 247856709.5 318277732.8 243509939.2 234069720.4 246462146.3 239728412.9 266797876.1 329651273.2 301135118.8 261954828.8 246675107.1 264867550.5 293844355.3 277173095.7 260320050.1 226071165.9 316389503.2 251922118.5 209426174.4 216210803.2 207665272.8 261287581.3 192170183.6 281239786.4 234231994.3 269578417.8 219761370.4 287448314 283843208.3 208923660.3 214096875 236681020.2 225970932.8 273784555.3 196489848 224503439.2 229098043.8 208769608.8 254266139.6 197991459.9 185447284.2 219841777.7 210820306.9 179809242.1 208612506.3 197734965.6 173266324.5 220422377.7 252970099.1 167126437.1 198742379.9 166616295.6 225831683.5 206633435 176728072.4 184059313.8 200622379.5 182115298.2 237457733.5 146276444.6 173764240.2 155920425 200939439.8 269007606.9 252256527.4 240122723.1 238079045.2 311875432.9 297027586.8 280485654.1 193081821.2 290067695.6 244033619 325166735.4 246292165.1 231833926.1 236807903.6 201414215.5 203556163.5 269604982.3 225210224.8 252161673 235272189.2 199239492.4 230217716 204400339.9 193834770.1 232841243.9 197053058.7 242775902.7 209580136.3 251525427.1 189302961.2 201877293.2 227326773.4 259815213.6 181985486.1 166296269.6 231983595 154458351.5 159272562.9 216422085.5 172737143.6 153884894.2 221224787.6 170630855.8 188906727.1 175448927.9 198661676 3-Amino-2-oxazolidinone 4618535.539 3163892.319 4781962.511 320113.0155 4046256.043 5107401.119 3196646.52 5165484.681 3511801.311 3239934.026 4399612.452 4761742.194 3471679.749 5632453.014 3610458.743 3780765.841 3945333.76 5478790.828 3782827.181 4988707.642 5073033.851 4640146.051 4270473.589 284451.3619 3703949.863 4896158.353 4693833.597 3153129.397 5626583.43 4651036.006 3289522.92 3697700.595 4015079.139 5506117.635 4537564.724 5227588.821 3407612.759 4892588.638 5536397.361 3780303.808 5052597.346 4909766.039 3879527.483 5695957.887 3884216.345 1439336.203 1367383.182 1299171.411 1667231.92 1297110.673 1409509.086 1528413.513 1699809.136 1483560.302 1722528.528 1464006.674 1684759.648 1524096.384 1462990.321 1388468.822 1484427.07 1800951.762 1323095.703 1192112.26 1542135.856 1895655.249 1539489.636 1624952.396 1590951.563 1730128.487 1697546.634 1495376.461 4139581.529 1595996.804 1445712.895 1294163.958 1485471.124 1756421.87 1582251.125 1796105.035 1757892.036 1660159.905 1734493.399 1425973.249 1795444.789 1786172.869 1700618.876 1797766.126 2008570.224 1458681.623 2561577.708 2227429.509 2202595.423 2893563.489 2783324.181 2159361.15 2521187.597 2421175.29 2489480.28 2132777.751 2579292.055 2023791.579 2406479.168 2492975.173 2413455.826 2304436.925 2003664.692 2252146.137 2669853.17 2104220.57 2241007.808 2028130.898 2348858.995 2364302.168 2296214.208 1960704.358 2312302.421 2301517.94 1873704.166 2329485.151 2234648.791 1881064.632 2015562.84 1842172.84 2154390.069 2237635.462 2135338.039 2560612.271 2480270.748 2089835.031 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1394245.277 979911.9751 1061371.501 1372499.181 946182.25 873290.3781 979399.2973 952754.0526 694655.1789 1247552.822 928303.1122 977146.9716 1070910.945 1031139.619 3-hydroxy-anthranilic_acid 124004310.3 1810511.229 121083072 42322.97884 1778551.835 121126099.9 1779560.623 121175304.6 1785094.423 1763099.352 1710756.916 118901856.5 1815366.912 120809679 1902121.211 1858610.477 1769056.486 120389115.7 1852325.399 119067161.5 121108170.2 121623923.2 1697698.616 40018.12292 1828861.745 117581866.6 118721707 1823503.078 1666275.624 117070322.4 1799672.053 1806087.636 1843899.004 119333401.2 116136213.5 121063461.2 1725142.012 119478078.6 120075909 1760316.028 120560879.8 121611105.2 1865863.403 119853270 1740767.858 1165994.609 879830.8911 1087595.591 1154366.957 849696.3363 921927.2718 973788.696 1200635.761 1181373.654 1030448.126 964938.7453 979271.3992 889415.6218 864098.8148 1092967.769 942195.2722 1136769.23 1072543.253 933596.3803 1155970.599 933001.4152 905646.9953 1110791.486 1011890.551 858600.2591 947347.1567 904888.6578 912886.7782 847592.3458 982061.9488 1104240.603 987481.1317 999249.9816 938249.9445 1001706.874 832547.99 899539.8709 927438.2515 929830.9043 1092890.111 967172.8181 1052679.38 1030253.712 908240.2002 966080.8968 1609177.8 1689663.15 1328094.76 1402439.64 1409006.743 1139072.04 1415752.446 1420788.515 1453620.016 1181127.61 1382689.646 1544638.479 1178949.592 1425730.041 1254536.107 1654404.379 1171977.66 1164506.1 1342004.079 1323492.255 1632354.801 1589940.265 1289557.957 1221702.43 1234572.289 1334307.119 1376338.467 1288008.287 1519486.169 1411624.925 1494554.964 1379622.563 1318450.416 1250079.906 1373660.489 1448120.096 1340035.314 1507848.268 1600491.959 1395839.651 1265266.897 1390378.496 1292287.125 1248975.966 1433977.617 1298346.728 963977.7911 888879.9561 991872.2638 710934.1076 993383.5565 630933.8984 922488.0988 987888.1897 938165.484 953575.2576 883483.0589 1051684.878 1007680.69 881569.4454 751544.6518 890555.8194 916380.8269 671392.9963 921337.3206 890464.0779 966981.1692 894143.1949 916275.0394 762837.2089 974211.8646 908091.2055 874775.0061 935607.597 933785.7251 966962.0725 908262.0987 947479.5064 769371.1701 936422.1371 1002870.131 1048204.138 958372.2865 997211.1521 911116.0581 970449.1904 856417.7436 913450.8494 797483.6695 883539.8328 1020086.385 975901.1288 1042680.79 1062594.229 1098664.812 900702.7781 1053050.825 1026364.218 985825.1576 967723.1013 977529.5454 962845.4091 1107988.254 998120.2908 997399.6858 983801.8672 943523.8561 960538.12 1017083.781 998441.9299 914917.7552 980893.5301 1017332.517 992204.5757 887113.2544 996633.422 973444.4763 987759.1396 1021052.869 977676.4387 1037016.686 961602.5023 978607.3285 999849.2784 1004322.106 917645.024 1068209.282 982183.4967 948702.5054 968557.4386 1004869.809 1020626.475 1003902.864 979132.4874 1066609.013 1070339.337 1091582.08 957403.996 3-Methylquinoline 24837936.89 10997440.26 31722961.24 1533893.737 11581109.43 25419885.19 13464998.19 29151982.38 12140368.52 11183056.72 11979314.32 21893382.91 12385449.35 32095688.02 9766302.161 12905602.59 13149702.64 25401375.89 13797712.41 31044017.9 30333428.42 26809435.08 9833276.634 1327087.961 14141292.95 20493058.26 18034535.47 10348094.48 5665376.428 25523297.54 11056969.73 12076688.66 15024321.91 26111293.1 25603368.44 28109440.39 12146549.03 29762934.59 22889472.45 12424684.32 28850793.6 25484427.99 10570268.73 22953682.29 11487980.86 8542804.803 8314362.462 6787329.158 8308945.483 7244821.643 8761068.689 8359080.231 8535739.502 7038118.618 9109891.081 7411621.231 7626666.802 7225803.829 7006746.498 7494149.65 7182964.853 8778957.976 6733646.973 7365091.085 7601019.702 8692931.087 7971722.271 7067501.674 7341157.54 5957721.408 6632975.98 7296458.15 4053218.854 7942306.007 8222368.251 6676448.614 7566916.742 8241359.955 7532942.897 8612097.422 8599703.233 7374349.262 8437293.242 7508515.16 9808248.362 8419835.871 7778043.207 9351067.89 8179445.748 7629979.586 9422017.915 11440045.83 11185407.19 10033650.09 11092264.85 8578700.03 10789093.35 9868874.551 10205686.97 8294969.683 11538139.44 8698416.467 8184113.179 10557939.69 9325929.051 10273869.99 7876554.446 8583384.655 8937914.196 9678059.158 9415982.066 8326066.886 9327796.522 8610202.616 8897041.767 9480641.223 8590286.071 7018046.383 10140024.05 8254121.462 10566494.49 8153956.323 7767857.399 8140579.368 7763612.337 8925918.884 10857438.31 9888741.622 8858366.058 8380347.831 8697115.901 9874241.591 9186193.359 8644348.84 7452282.329 10645840.64 6380191.879 5167225.127 5399490.88 5414290.757 6464762.977 4998557.604 7032577.722 5745036.19 6890564.527 5556912.218 6992448.841 6863762.621 5184695.173 5292931.574 6039801.94 5693311.424 6804463.532 5045084.877 5621409.982 5889599.903 5268246.241 6443714.483 5057488.615 4794061.355 5511128.24 5259389.603 4452107.465 5261791.572 4889100.741 4407618.477 5675856.292 6302725.163 4274969.084 5169284.199 4252950.076 5578794.211 5108299.904 4385273.852 4635961.195 5039576.935 4684023.773 5835582.129 3701059.891 4243560.334 3889030.581 4899253.848 6962844.778 6240333.536 5805981.742 6050021.167 7601562.186 7366774.981 6930994.14 4916522.617 7507330.103 6087287.601 8212083.537 6143119.737 5719520.823 5802151.275 5085216.166 5333771.091 6843712.059 5554432.679 6448339.494 6031457.07 5142738.79 5749510.793 5316206.195 4942627.829 5966972.022 4883388.945 6055409.838 5184992.314 6181030.518 4648247.986 5176284.352 5835904.451 6399310.754 4779000.968 4065371.714 5775493.397 4005222.565 3988233.403 5426117.367 4353259.032 3680585.693 5535307.086 4245340.221 4670999.136 4276922.237 5101236.631 4-Hydroxybenzaldehyde 185709.2086 4937.682941 181783.2414 933.8871749 6208.743328 208231.3543 5567.602844 172221.6361 5046.048248 5384.95743 5749.950272 190768.4859 5042.05189 193139.8386 5268.706252 5234.316206 5921.029088 181039.7237 5382.789183 166114.8298 165554.6948 198657.461 5588.59328 878.2400728 5073.801223 155123.642 172816.1162 5710.057269 6078.555379 164564.8831 5376.81082 5366.191114 5539.928287 175349.0043 168919.4497 161175.2904 5475.185721 197113.918 168413.6423 5499.895113 181333.7271 160787.0967 5451.515363 184446.5183 4311.06638 3536.740434 3324.482566 4036.887021 3445.763254 3570.694282 3600.000906 4230.793206 4201.551276 4324.900228 4023.126689 4540.73492 4179.187551 4358.782521 3225.258794 4369.377721 4121.370242 4304.113678 4197.850944 3515.275571 5098.828206 3263.267813 3789.618628 5065.50954 4046.156964 3624.347616 3752.523173 4136.502882 3397.471725 3658.913122 4756.932292 3798.169089 4597.53084 3882.458226 3883.079685 3745.088203 3357.023917 5510.358964 3759.122996 2315.120394 3883.851119 3604.585396 4308.476639 4419.735555 4369.157172 3669.861202 3801.190127 5814.79282 4897.499793 4875.773212 4641.435884 4138.959313 4822.786428 3976.462325 4797.485964 4774.233179 4726.261202 4660.086534 4527.489204 4831.089873 4425.655105 5612.109744 4131.809587 4309.654863 4170.004848 3909.592682 5261.205607 5523.284147 4271.241013 4032.569151 4051.708931 4155.334872 4623.025388 5129.995288 4040.224671 3714.14167 4159.969354 4343.191138 4662.043054 4294.711406 4612.553695 5130.338365 3966.46898 3967.480568 4523.77907 4876.753432 4247.467732 4426.883321 4558.804299 4612.13122 6131.023627 5040.980509 4647.502467 4363.302316 4853.054648 3384.240712 4677.668744 4803.649588 5520.468955 3999.201474 5410.435314 4374.839508 4279.891456 3854.056345 5461.503807 3805.625624 5065.796745 4627.661829 4471.954827 5333.514492 4882.399501 4467.274275 6914.334272 4543.460912 4991.840109 4789.622637 4226.790966 5357.89453 4839.321763 4939.940389 5576.849262 4170.99291 5479.502611 4451.259437 4870.623135 4501.008554 3429.323001 3896.347946 3949.370019 5547.860229 4798.808281 4044.675851 5883.547427 4506.572284 5364.486511 4776.725879 4458.784588 5087.138099 4210.645759 4363.779683 3540.306475 3909.501521 4712.05683 4836.090957 4157.672698 5375.189535 4238.24386 4721.420874 3821.743385 4506.058649 5269.821742 4644.028567 4302.746271 4093.98681 5546.57418 3284.584662 4822.107135 4896.542118 4312.48672 5252.512034 3904.015229 5254.428364 5120.899824 4501.100695 3971.913123 4352.773771 4193.552679 4322.263436 5121.667337 4616.053081 5929.348217 4348.356898 3632.194279 4750.499107 5606.939082 4621.773647 4164.756749 4121.175178 4447.247396 3521.601913 4325.88633 5288.932116 3435.502309 3955.199388 adenine 195248.7227 33315.1796 200714.1953 3797.512074 34509.37777 198629.5292 34843.27767 200292.5072 33632.90959 30746.7109 32581.48518 186812.4565 32510.48071 199590.3689 34230.08578 32973.2506 36073.12364 200980.5261 32328.74492 200278.0369 194014.5947 203241.516 33080.87857 3439.668086 34998.22726 197180.142 194790.737 33816.81711 32384.76289 192407.4473 32576.70265 33583.53584 36217.63792 195560.3026 203329.0728 198845.1518 34031.41051 202202.6389 193488.4592 33651.46054 202483.4337 188161.354 33761.42076 204349.1504 33105.30263 28719.52788 26474.74253 25325.65334 27750.72982 23954.35083 26500.5672 26258.6777 28279.74526 26217.52662 27885.76562 24176.87418 27598.86314 26959.48777 28378.6155 28109.82806 26203.28135 27357.37967 28583.0726 26354.1078 27719.11388 28433.51613 25993.34772 25726.95705 27588.04385 27290.31264 27969.92477 27596.51988 30252.31405 24275.28175 26854.87347 28348.99031 25928.5673 27983.44141 29097.34232 25403.02663 24872.60115 25768.92961 25804.37126 24486.531 27867.97319 27572.80557 27752.62772 25831.00482 28332.78891 24008.38434 35914.10127 33634.52107 29983.91847 32247.3319 30105.14649 30541.76909 31059.55135 31633.98421 32369.9259 31554.34477 32819.68903 31051.73628 32060.84348 30786.53376 32731.08728 31761.99021 29776.34227 31504.48789 33078.6014 32588.5244 31822.98113 30355.94164 34476.60042 31288.84797 32749.1614 31789.84812 32503.97812 32246.57494 32464.17729 31832.69724 33512.07028 31919.87321 32522.18129 30874.99703 31584.10687 33144.17497 32097.98631 31042.33333 33570.39217 30389.9811 32056.76441 31615.43482 32041.5576 33161.80058 32802.01148 33313.33363 21800.03679 21344.50442 21250.34116 20475.60267 23835.15133 19077.21336 22485.10499 22046.69779 21887.32449 22642.83848 21769.4359 24359.7163 22323.04063 21415.04936 19292.99492 22762.68005 23314.0328 19565.59861 20844.20772 22114.33135 21414.02015 22411.08686 21593.09322 20416.44671 23791.48545 21318.18561 20186.53476 22959.94212 20389.13173 20984.21173 22093.61654 22894.96971 20921.26941 21865.59305 22712.84206 24006.28343 21196.1786 21453.16317 20684.28991 21387.70606 21522.10449 21461.63133 20276.01779 23188.01597 21087.66306 24206.48993 25370.12496 25075.89055 24383.73119 22712.35421 24372.12032 22666.77154 24231.94005 23679.34407 24253.17734 23973.91211 23854.9707 23962.80482 24416.48965 23910.82658 22829.21044 22939.74191 25498.345 23475.80444 23132.25766 24577.5846 24656.38053 27125.95066 24266.06135 25413.57839 24696.58423 24213.39539 22920.6134 23388.47426 23519.00922 23819.80131 24964.17092 22166.90918 23953.75911 23751.79477 26194.29701 23103.74036 24800.87592 22978.90224 24886.46401 24052.77256 25274.76568 23116.25927 23048.61941 25204.25536 24111.29116 26084.49102 B-Nicotyrine 911338.0008 524169.8298 1183800.277 91462.10584 578336.826 960519.8623 672504.937 1047423.461 587329.1435 514760.751 596434.2468 813203.8732 586777.8192 1179416.024 456772.2624 631037.402 641573.8278 935007.4895 669480.4601 1142425 1144353.671 1001021.853 482354.1734 80168.07833 679179.6389 742129.1479 652067.13 493351.9519 269953.3908 930625.9094 533537.304 595146.8132 720865.4718 958038.9394 938022.1805 1035974.459 592422.339 1080548.322 845765.535 585013.0395 1063096.461 964732.8771 525881.2034 854907.8173 564208.9854 446713.9349 437701.3518 336049.1451 425603.0864 374793.1699 455269.9705 434357.1033 444699.3453 348422.9267 471877.6897 364113.8776 376893.5757 381285.1754 371287.2135 387068.5961 355132.2004 452743.4703 360727.9735 361185.8427 382256.4888 445231.7551 390871.6267 351161.1303 393189.3519 318216.6877 348339.9586 366319.7591 207762.3964 407299.2785 421613.5765 332176.591 377642.3482 436896.3179 381963.1902 421630.0664 434273.0179 373952.1253 429549.4508 362235.9324 501451.9878 439915.9968 390654.8332 478439.1675 404777.9269 403035.4429 486014.0381 570421.3559 547960.0133 497444.0016 548927.0838 418749.6609 541248.8993 473259.3817 506344.478 402834.8034 583585.814 443617.656 391425.2587 515822.4085 465271.8248 536794.8745 408073.801 437361.2855 447729.2775 485228.24 465735.7482 413996.5171 462527.0559 442651.7174 460650.2791 452499.3055 434616.2902 346476.6848 494671.248 431436.7291 508092.2346 409217.9812 398974.9417 393263.3886 408518.0869 463101.3259 545511.3473 485967.9131 452841.497 409920.5337 419904.1308 487732.2692 449752.1631 435009.8867 359247.729 557305.7834 308253.2977 267851.2177 272770.378 269419.9586 321618.3661 269629.442 352884.9043 288725.0144 335986.5228 270589.9544 363947.1892 334728.3081 270288.1187 274722.5498 306447.6802 269501.5465 329630.7528 257172.1811 278947.6874 300518.4792 264021.5315 310856.7703 250670.2217 243939.3095 261704.2445 266852.9054 230166.4697 265473.9082 237662.5932 213169.1341 289696.1526 304179.0304 205863.5649 245426.9738 207912.164 275240.9673 251108.5119 218102.9952 235008.9935 252885.1077 233131.691 294495.9984 190822.4907 220727.4125 189791.184 244047.2901 357141.2106 311500.3885 307488.3492 327549.2906 381934.5482 351313.8995 347850.2195 265954.1827 387639.4557 311467.2334 382804.8116 317149.9839 280180.4224 303273.0121 252108.0949 283257.3268 331649.5123 277187.8007 346461.6701 295859.5135 246461.9538 295515.5839 252866.5437 250088.6562 295126.3837 244423.104 313943.979 262604.1941 316755.5621 241400.3433 256125.845 290412.9969 321255.3395 239610.1131 206390.0813 293840.3596 208124.3056 201198.5231 273429.6756 219866.7963 188553.1617 270747.7188 208592.0411 244314.6269 227214.2695 250056.6622 indole 833875916.8 567816389.3 1075535902 49585315.06 579158712.9 861980253.8 681568832.9 1001729415 617221972.8 559611686.5 627946378.1 747746063.9 620420626.9 1074807563 502366535.1 669869382.7 676922932.2 853887070.2 696559686.4 1051770300 1048902492 923565130.4 511393408.7 44040966.05 714280483.2 704237145.8 620505504.8 521595678.2 286774745.4 861727243.4 543765414.1 639212237 753552876.8 889878859.7 877762073.8 961774385.5 611718109.6 989382095.1 795668931.3 628720617.7 959899129.4 884725961.9 536760638.2 784997402.5 593325823.2 461483978.3 466460121.4 373104494.7 466682349.8 407456555 478928885.6 458606072.3 469281202.3 396262212.7 493682112.9 406781190.2 427209694.7 400891882.5 392805270.6 419970743.4 390185868.3 481221454.1 374215112.9 399218113.7 428475954.9 490578419.8 427576444.5 390273557.7 409286245.9 334848155.7 375644936.1 397234216.3 230246259.9 434809333 443378745.7 373712083.6 423173949.2 455347788.7 409677385.2 474245300.3 475162009.9 405347211 469442774.6 400453065.6 538693346.3 455524769.2 431628211.4 511470502.5 450577460.3 421256270.7 491132458.1 600304742.3 592115638.2 528630623.5 580166851.5 451648406.5 563226530.5 515141647.6 525626334.5 434474958.2 607233690.7 466731112.4 415826174.5 558915906.5 478788799.3 535234308.1 408612714 444050594.3 469372000.5 498835586.8 501423797.6 431812009.5 488503516.6 459512155.1 467084608.5 492987085.9 447408442.9 369357158.3 526875093 435683045.7 544437295.8 430267629 415331965.2 425941840.5 418751411 471960292.8 572635116.4 513180008.1 462179060.9 427366023 450749883.5 514851887.1 475385401.3 455662213.5 404526684.8 566947348.9 340011603.7 277694065.5 290495064.4 275534532.6 341383080.7 259763935.4 366344839 301324794.2 362632269.2 294269639.6 382363049.4 373029776 283869172.2 285963421.4 316182116.9 308435247.4 364994121 258921909.1 304334483.7 305906587.9 283299246.7 341302791.4 263840016.4 248472533.3 287701677.9 281992245.2 234988610.6 276469832.5 264526864.5 232022052.5 294877510.3 334334252.9 218245399.5 271703496.5 217548418 295509122.2 272351998.3 235399467.2 239719643.3 269283202.3 242420473.5 316732872.9 191995352.4 229431681.7 209977511.3 262769263.1 360886620.2 334599550 318352804.2 315916261.4 413319033.8 394744921.1 378648591.1 258570069.2 399267090 324580048.9 426834773.8 330314022.5 307848518.8 312061951.3 264637763.7 271422687.2 357456632.7 300383772.6 334187031.4 319442916.2 264431553.5 306242303.6 270011446.4 260025857.8 311142190.4 266026811.9 319704431.4 273075301.7 336078242.7 252060057.4 274150488.9 306472999.6 347901704.5 237250467.7 221523901.4 312254309.4 206112425 210962954.8 295889883 230842416.8 206356760.6 289298028.4 231085183.2 254579339.3 236777798.8 268026608 kynurenic_acid 375476.6349 65516.0115 408653.0825 14349.70569 67720.91726 383636.3597 63556.42057 402285.3213 64809.4145 67590.64175 63641.36246 554640.3589 74833.64658 395892.2405 44569.19343 61613.68241 62500.2286 361663.4897 63590.49432 376737.1548 376773.9431 376953.0795 52597.63235 11129.30067 63741.34297 343801.1274 345033.1912 49538.35244 288860.305 359787.3364 61743.50888 51957.89634 83574.78955 367086.9796 350549.5555 361298.9145 45984.98292 373528.2342 363892.8484 56209.24562 366203.8327 361417.0276 43635.43211 368397.0318 55910.649 38481.52809 42775.36179 34994.18882 46227.57878 36455.78119 41987.80595 41857.60902 46511.3164 34986.61114 45032.20892 37726.03427 37800.89504 37035.79833 38038.38298 41717.54875 35723.46947 40293.62476 35178.37253 35258.48267 38961.63658 43582.48488 37224.57356 33503.57449 40128.67601 42967.41282 36400.9053 40211.12793 88948.1702 43454.1717 45419.47227 35834.81537 42025.63599 38009.63269 40924.00711 38531.98086 40062.33593 39962.98185 43990.04744 40197.1356 50812.98822 43129.99059 46450.99356 51843.46996 47962.68395 41254.07749 46377.15662 46658.39304 39392.70006 48985.15018 50485.55825 36013.71379 47236.45458 41115.54173 48328.71632 40591.15264 49798.30174 42186.21999 57972.72163 45404.45836 37632.09795 42676.77109 39161.86701 37504.62899 48462.62464 43612.75969 42900.05564 34791.72662 38648.04401 42039.67098 41612.2605 41978.98216 52122.24111 30976.95288 39093.66563 38671.11834 49106.68498 36548.77451 37994.0642 32908.52322 35481.59209 32281.89715 40719.73075 40904.80133 40478.67289 35509.63962 33172.55437 43342.39471 43244.78743 44297.29047 35832.55442 44800.80782 30065.07366 30758.00613 27780.86604 29732.74008 32088.71453 25525.26502 31928.13501 25774.02406 37329.81017 27583.71383 37460.99052 36122.11843 27596.96523 28261.42134 30806.8805 26714.08552 32673.31869 26342.72295 29586.62665 34034.7689 29145.96926 34130.63388 41754.3572 25877.10299 29169.9529 32342.70048 27079.57455 26869.58855 25852.31555 26427.26519 27444.05097 32288.03564 22110.26736 26462.3493 23588.37122 25525.64447 23168.17021 24687.39338 25092.50189 25759.48838 20881.2481 30114.88205 23393.66407 22081.24315 26447.65645 25482.98941 35328.94725 36041.00916 29313.53595 32595.51666 41596.47198 37331.1169 36088.76091 27875.18406 35689.11057 31694.91079 34723.85977 31991.30258 29444.19092 27003.53728 26085.83166 28808.02932 30836.47949 29116.76768 30278.7643 29629.8475 29273.83114 31930.77542 30501.60879 23515.14274 26515.29204 24569.79897 31474.84366 26110.14311 30291.47685 24799.42408 26794.79963 27708.11356 30504.06059 23203.72132 26094.26478 27180.9471 18656.3148 21989.50941 35623.58326 23247.20712 19824.87426 24131.57542 21872.04523 21312.24422 25789.35231 25633.53046 kynurenine 144859.2499 7548.578426 151306.9108 1338.48684 7755.862617 148546.3199 8112.139647 148813.2051 7650.62876 7739.912623 8178.874939 138546.3996 7897.983165 148938.8704 7775.833956 7634.248083 8617.949096 144667.2917 7671.555646 144502.5677 141782.5767 149546.2691 8208.069177 991.8192446 8411.75682 140637.1909 140409.6558 7774.343733 7888.364901 141204.2643 7848.706729 7645.462524 8484.424553 142707.2133 148170.2 143711.0652 7644.666888 146649.1996 140725.8891 7933.317827 146388.7697 140916.1206 7934.459775 149645.597 6505.5432 7703.190749 7349.592 7771.291671 7537.207998 7476.823075 6645.640812 6831.758739 7392.524934 7726.069935 7949.864302 7372.739995 7628.550115 7436.605702 7856.631692 7756.146142 7746.107005 7612.876778 7061.122556 7436.397718 8156.329312 7330.278949 7656.243338 7877.996129 7975.947615 8149.294166 7683.634397 7615.752251 8270.994052 6767.077776 7526.237839 8041.303544 7352.58618 7190.523725 8391.302802 6914.517605 7157.359157 7330.136696 7014.537154 7355.355699 7874.315211 7942.198338 7908.238134 7482.376828 7954.801953 7222.208862 7807.388612 7006.326704 7544.806269 7885.103874 7479.108933 6741.815607 7199.169763 7692.218629 7135.737683 6996.087432 8082.374435 8430.959993 7761.280003 7774.499721 7835.064177 7901.996662 7531.192168 7917.535593 7499.51586 7810.970444 6949.196922 7776.790485 7689.409868 7259.262332 7298.718406 7372.727241 7675.193399 7318.714271 8256.298828 7413.514608 7864.538997 7422.932737 7842.502537 7984.189459 7609.67952 7210.342019 7670.445092 7521.455196 8017.621855 7932.036569 7571.525305 7476.610186 7628.901332 7541.135161 7597.258381 8023.178551 7071.970082 6411.226524 6464.18486 5953.185629 6856.264515 5779.904808 6816.49156 6978.067412 6311.749498 6986.449546 6741.209315 7334.460206 7324.261157 6610.782943 6210.877412 7123.453892 6760.657751 6091.938215 7028.596655 6556.373627 7227.437885 6578.030419 7129.929837 6612.065182 6141.017459 6918.263273 6512.522426 6988.691257 6873.949995 6613.837949 6561.440777 6821.922681 7630.167874 7040.771549 6992.476168 6466.348086 6458.182765 6477.896086 6829.915337 7397.367422 6452.011928 7064.559192 6311.957482 6868.408015 7123.884575 6587.172871 5945.746288 7140.977499 6193.346938 6374.628263 6314.025546 6447.72766 6808.54207 6594.31299 6437.275499 6554.207457 7600.233921 6719.122821 6819.975286 6868.86813 5990.430405 5631.282808 6441.288015 7109.657314 7218.818335 5608.398716 6515.806017 6508.645296 6504.282544 6420.387617 6534.471572 6191.302419 6114.322949 6440.287338 6632.041427 7011.683265 6764.029638 6440.479625 6555.591726 6661.931233 6229.22118 6657.693074 6969.256556 7157.273805 6306.375278 5936.73824 7201.673416 6903.044165 6509.380106 6916.728903 6953.179025 6659.524704 piperidine 56531.24463 35817.17107 51237.26006 5011.487279 36989.21992 59676.54231 36731.36844 49192.98342 33917.74469 33354.96972 38678.19844 51077.1389 36512.77624 65413.084 37469.40513 42444.83606 35390.60748 61896.1075 45694.69926 59990.86947 65726.00617 60029.46554 38413.43702 4780.691003 49445.97205 60884.86218 47366.8888 35201.62744 68098.14236 51666.85406 36822.65075 39258.58661 50698.12269 77278.32687 51064.0167 69915.32401 38803.32706 52449.29846 64448.23025 42088.09271 62599.12289 64385.62089 38404.32469 60276.26109 37838.52698 24256.29391 23026.59823 24386.11478 29809.74963 21303.62963 24675.35335 21853.00063 30450.4451 23955.25762 28309.51921 29096.11341 32455.41263 27881.72697 28906.85928 25670.40388 20999.76227 35468.00471 21612.68951 27333.64212 26749.89961 31946.33021 26425.26789 26232.73608 24705.07094 23668.37859 32577.11023 21700.60405 48991.32012 21927.08185 23225.15828 19663.66673 26399.82278 24959.54698 25374.53904 29960.34061 30808.92122 25983.66149 23125.29076 28706.8329 33945.53018 31051.45962 29243.33471 32831.9313 29888.8662 25655.10231 30197.78807 30429.99126 35469.56687 37179.48227 33384.28479 29950.45774 35801.45165 28254.63635 32665.63047 26388.82436 40072.94905 28400.8916 29501.70755 38088.14593 33326.37919 30263.78244 28567.01416 26026.02018 40020.11139 35438.42129 32743.25196 29627.82522 31912.44939 31661.28936 29203.43908 37691.08142 40788.37936 26766.94544 22235.78713 23471.65864 31602.75314 25386.74311 25589.06194 25092.7107 27369.63138 27505.13547 25962.31827 28112.55583 27424.842 26465.29962 24037.75537 36862.85882 31326.18825 33887.11663 28352.21141 37537.38527 26109.37281 23309.6303 29002.44856 23477.32461 29670.71101 22905.09614 24658.86913 22190.76222 28746.00208 21755.28565 27040.62368 26764.83124 22254.5408 22013.6949 22316.07485 22977.32384 25110.32964 23315.57995 22950.71908 24187.95917 22388.15304 23452.58487 30884.92879 21959.80877 21840.03944 29001.72402 20623.23786 24881.55748 20670.66257 17130.79026 20089.14543 22675.34258 18948.0064 24413.55908 16562.43749 17753.58886 12197.74293 19567.3069 16795.04128 22587.42996 13850.57694 21787.68288 17128.27162 17117.97857 18423.75275 19464.0122 25567.35645 23137.62901 24200.8111 20666.82136 28773.83357 24606.76368 29674.99116 19766.49757 23793.05677 22438.44715 27209.42971 23458.30451 20528.99223 22435.73684 19276.14581 19860.78345 21914.12449 24895.92174 25770.41899 24410.80277 24279.66316 22783.28161 19958.13808 18022.5806 20327.09509 20910.33732 22144.10997 24741.83649 22652.51194 18856.59951 23584.50844 23423.56498 25148.17434 19902.98113 20169.42931 22278.8991 18365.96599 16787.15761 18251.86454 16582.98909 16600.86488 20702.58828 18642.25678 21262.69702 18891.10711 21011.59449 quinolinic_acid 1197798.285 792164.6902 1168763.607 16185.03109 788343.1757 1198396.519 812073.9945 1185468.47 808383.6446 788548.9206 753301.2218 1206306.934 802328.2114 1208494.747 874032.0465 803783.7148 838778.8144 1219371.17 780221.3464 1146772.575 1152503.953 1221472.553 704071.2453 10790.2222 770614.2958 1177033.959 1169034.415 834458.4011 716267.4521 1162637.961 815632.0391 783726.5608 810504.1137 1200080.181 1243965.157 1201668.628 787757.7616 1196474.908 1207492.949 823547.2295 1221565.368 1140876.229 842501.6745 1182521.037 737176.0354 506454.4254 454426.2024 493698.2577 494824.862 465380.5676 464890.4284 471138.6756 493298.9667 496874.6327 505491.5045 470787.0135 493457.6446 507675.1723 483913.8267 478074.1665 485525.3349 475005.3588 494016.9329 457018.8743 543349.3179 474909.2497 439538.6522 518964.0635 496743.9618 482748.9576 480927.2779 485825.597 497232.9177 507210.333 476202.8914 506542.2431 496972.1889 499091.5258 466860.9027 492905.8133 475079.4283 487912.7812 472171.6225 461456.0913 481605.9322 492017.5408 496197.6894 481585.4334 485840.3752 489389.0982 856391.6909 932643.8259 742619.699 764628.6843 724710.885 638307.3679 767975.357 789321.9559 743154.4536 662469.9199 777930.0943 801459.4331 679166.8658 761301.7272 678083.634 912703.7905 645650.9605 692131.8004 696342.1608 746115.958 886194.032 889005.1584 707056.296 698864.4493 705300.5901 710248.377 739543.4171 693071.124 811817.7093 764972.5743 783614.7883 728601.0123 678727.3775 723468.9668 736912.8974 790663.3031 744504.0242 836137.0579 911025.6955 742655.8442 714685.5428 728614.1049 730233.0788 664765.0623 752729.2494 729080.1105 513587.8465 541193.5549 524651.7369 403849.7796 501492.8564 378145.141 471249.1287 504462.7288 503702.5052 517823.8558 446963.0906 552967.4521 519970.3229 467295.6323 418820.3632 480609.8796 501702.1937 388251.3288 492060.5473 456680.6453 525754.4544 478931.3845 506019.7809 422289.7048 503268.363 500399.6051 486558.6904 492516.5418 500424.4454 507999.2957 466489.3377 528917.0642 405175.8549 482563.5326 491739.4459 564117.4661 510596.3006 524623.6704 461955.9095 503716.1597 476851.8532 467977.9131 450878.5689 498312.3869 535022.1779 507984.824 528904.9335 555024.4671 549357.5819 464809.7785 529475.9695 548040.496 521918.5534 439253.2023 491924.2665 501867.6052 545841.8713 494531.674 502863.777 512032.0033 515049.2236 468160.8353 498791.3999 528160.0329 456204.0243 488885.0321 521601.5807 514517.9508 504441.132 512266.317 498472.8524 505432.5706 517502.3374 491358.5935 536860.0404 482965.4115 516519.2072 503912.9152 539675.338 469361.1686 534207.4641 503014.9806 477496.4735 489349.0117 529035.7747 549639.3202 501946.51 501199.7025 536439.8931 554556.2057 565846.3908 501604.314 serotonin_HCL 507450.9381 279536.1083 661451.8445 42209.58229 301526.9546 532826.8657 352321.2216 594312.7341 309020.6397 278575.3351 314652.1917 452600.8835 299789.8756 642651.8115 244011.6207 328003.2583 347421.2032 520178.9096 348404.0361 631624.3376 640839.079 550355.4346 250988.5609 40784.48323 339487.0794 403040.5149 371107.2171 264060.9276 144263.5734 518178.702 270146.9885 311417.4222 387128.0118 529192.2037 564066.027 573760.9375 316624.2808 600259.7197 456029.4643 322155.9767 590325.9974 528641.4391 264879.7755 466995.9748 298566.485 244261.1579 258391.478 180414.0005 235083.4438 220399.0088 251866.6047 242024.0202 252826.3663 220131.6433 273074.7981 219729.0966 230295.8452 226134.3275 204856.3217 227502.1398 209870.2012 260348.2515 175751.3309 206075.6442 234661.8886 256822.3761 219980.9561 212644.7458 211358.5752 182005.309 196398.7416 212200.5869 113317.8893 221750.6842 233672.1103 183929.6238 221848.6259 251213.3733 214460.7851 264142.3245 238434.1248 241300.71 237340.2535 219586.1598 280613.6306 240825.8166 224385.789 278591.2817 251620.5049 221329.08 240514.3044 283247.3866 273999.1913 257449.5067 269159.0159 205568.6129 266809.094 246367.857 250537.1413 194655.5875 282070.1061 206999.8415 195727.8015 261542.909 228272.3976 248168.5372 202831.3241 206040.3083 234696.7675 239015.2759 240488.7748 199867.3628 228280.0119 209833.7722 221650.4146 228371.9655 210493.8021 164800.8268 232313.7941 203223.7709 257630.4063 211174.0696 199385.0291 203945.4929 193373.0989 220474.2871 265116.3901 241650.8213 218171.5521 202777.8662 209563.3827 244049.9098 222712.3167 221631.901 189240.8637 264747.5422 181844.9626 160026.8795 158119.7242 149755.0875 189259.2522 140429.7483 212502.3528 172125.5287 204346.3644 169658.0528 212521.3179 204705.7216 157901.6395 161590.9288 177927.0375 173189.5899 202061.4361 153171.7302 156530.7815 172745.1537 154215.9453 188943.5903 151088.6027 133641.6538 154610.7471 165540.6491 133478.1692 151608.513 142614.2167 125070.2234 158067.1365 170669.9017 126947.1065 149024.6144 123134.7102 158960.7787 146925.7254 134296.4298 144342.5229 148535.2756 143995.6042 176590.3623 116336.7225 134610.161 120551.8069 147789.6174 191184.0184 191886.2587 174001.324 191155.6171 235654.0817 206679.1052 212593.6266 138375.0929 216901.5783 178336.1324 225401.3145 192217.2853 167259.3069 173176.2051 145808.6413 166090.8535 203628.8031 146273.7286 198451.4553 176841.9118 130263.9093 159226.2461 146049.4111 144547.4783 167912.7776 148949.7984 175143.6875 146158.6003 184383.6377 148480.545 142324.3455 167784.9279 194031.1056 126060.2573 113079.2297 168148.1249 111285.0652 117505.3826 164178.156 120177.2972 102967.7895 160616.4662 121064.6413 137997.8258 133430.8136 140144.4076 taurine 12087.65164 2538.867204 7977.892635 412.1179163 3044.876249 9135.997322 2776.568529 8382.274093 2731.436339 2061.642637 3128.592204 9065.134459 3025.16434 9590.031877 3263.633388 3160.376383 3019.686058 10213.41537 2561.216024 6899.337811 10115.95046 10379.52939 2730.709053 396.3141036 2575.279931 6510.994811 6607.262578 2732.460349 3811.566475 9277.592056 2560.276304 2878.640917 3169.018959 8311.781423 7826.107349 7531.965301 2999.342543 11625.99908 8585.377204 2649.20799 7773.014307 8243.732594 3044.141559 9334.675776 2534.699973 2063.299962 1482.181658 1901.008606 2108.608705 1768.397025 1994.573396 1788.639734 2467.130117 2247.494198 2186.012019 2423.908691 2055.18192 1482.785357 2180.72168 2050.392765 2729.824007 1857.837868 1502.766083 1660.067241 2592.980839 2356.193036 1874.089329 2119.679176 2164.807949 2279.094419 2222.797217 2210.305775 2081.297024 1860.092627 1904.434312 1946.391957 1703.291514 1817.288664 2303.256045 1892.742487 1579.895454 2274.064924 1927.733104 1797.713442 1983.06211 2585.131614 2005.976471 2380.686696 2149.358951 1675.554396 3573.907296 2066.790594 2075.53056 2348.989086 2409.51275 1884.434792 2213.716674 2790.519099 2379.841518 2311.890078 2735.970346 2317.072777 2584.179364 2321.69563 2767.686751 2596.038631 2467.163719 2215.258384 2190.44408 2404.675185 2221.617156 2029.116934 2118.671113 2317.380891 2391.168846 2357.703992 2460.646049 2873.092013 1681.769078 2712.343506 2390.004162 2112.524205 2217.21528 1991.587364 2453.703511 2249.934622 2191.055752 2511.688223 2298.016963 2384.692751 2114.522676 2406.711245 1804.35413 2222.646861 2219.031502 3053.467568 1865.763979 2525.336944 2787.305257 1967.969637 2441.738312 2141.564971 2637.523568 2150.656904 2621.006138 2304.241896 2423.764031 2236.817839 2073.003567 2248.978955 2548.301423 1899.270978 2370.713704 2503.833872 2265.15353 2532.800599 2189.93777 2356.525071 2271.663227 2426.334877 2150.137495 2286.679383 2448.906952 2516.653931 2399.429269 2186.133898 2360.265726 1841.754987 2961.613638 2334.640415 2012.47193 2167.740445 2177.999339 2290.547613 2470.559241 2462.037404 2624.368057 2687.589003 2339.868106 2347.343152 2278.765232 2585.538256 2049.046402 2213.023559 2205.284822 2203.441262 1896.154525 1946.293998 2355.827969 2073.516712 2384.75426 2211.653276 2122.089416 2348.413863 2435.378971 2390.8744 2131.09592 2437.055659 1998.224066 2441.381219 2033.57918 2098.186925 2455.437152 2460.455257 2077.650341 2309.575519 2182.122147 2015.233567 2468.791428 1964.107103 2668.714299 2422.041211 1987.473669 2109.161146 2585.114528 2378.144896 2246.210483 2478.141357 2255.787085 2294.569614 2236.103652 2087.14493 2168.380024 2409.699555 2048.961543 2521.148641 2192.859445 2348.142768 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name ACar10:0-d3 ACar16:0-d3 L-citrulline-d4 L-leucine-d10 L-phenylalanine-d5 L-tryptophan-d5 3-hydroxy-kynurenine ACar10:0 ACar10:1 ACar10:2 ACar12:0 ACar12:1 ACar13:1 ACar14:0 ACar14:1 ACar14:2 ACar15:0 ACar16:1 ACar16:2 ACar16:3 ACar16:4 ACar18:2 ACar18:3 ACar20:4 ACar5:0 ACar6:0 Acar9:1 arginine carnitine carnitine2:0 carnitine3:0 carnitine4:0 carnitine6:1 carnitine8:0 carnitine8:1 d-pantothenic_acid Erucamide FA22:5 LPC_O-18:1 LPC16:0 LPC18:2 LPC20:3 melatonin PC_O-36:5 PC_O-36:6 PC_O-38:4 PC31:0 PC34:0 PC34:3 PC35:1 PC36:3 PC36:5 PC38:1 PC38:5 PC38:7 PC39:4 PC40:6 PC40:8 PE36:3 PE36:4 PE36:5 PE38:4 pro-Leu spermine tyrosine 4-pyridoxic_acid 5-Hydroxyindole ACar16:0 ACar18:0 ACar18:1 ACar20:0 ACar20:1 LPC_O-18:0 LPE16:0 LPE17:0 LPE18:0 1-Aminocydohexanecarboxylic_acid 3-Aminobuturic_acid alanine betaine choline citrulline creatinine cytosine glutamine glycine histidine lysine proline serine threonine valine asparagine leucine acetylcholic aspartic_acid DL-2-Aminooctanoic_acid D-Pipecolinic_acid hippuric_acid hydroxyproline methionine ornithine phenylalanine tryptophan 3-Amino-2-oxazolidinone 3-hydroxy-anthranilic_acid 3-Methylquinoline 4-Hydroxybenzaldehyde adenine B-Nicotyrine indole kynurenic_acid kynurenine piperidine quinolinic_acid serotonin_HCL taurine METABOLITES_END #END