#METABOLOMICS WORKBENCH WangLab_20230718_232026 DATATRACK_ID:4174 STUDY_ID:ST002794 ANALYSIS_ID:AN004545 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 negtive ion mode CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo TSQ Vantage HPLC-MS/MS CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:FLOW_GRADIENT 0~1 min, 2% B; 1-20 min, 2~100% B; 20~24min, 100% B; 24~24.5min, 100~2% B; CH:FLOW_GRADIENT 24.5~34 min, 2% B CH:FLOW_RATE 0.35 mL/min CH:COLUMN_TEMPERATURE 55 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo TSQ Vantage MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE 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 -2,500 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 20210318-C1-3-5h 20210318-C1-4-5h 20210318-C1-6-5h 20210318-C2-1-5h 20210318-C3-3-5h 20210318-C3-6-5h 20210318-C4-6-5h 20210318-C5-6-5h 20210318-C6-1-5h 20210318-C6-4-5h 20210318-C6-6-5h 20210318-C8-2-5h 20210318-C8-6-5h 20210318-10Gy-1-1-5h 20210318-10Gy-1-2-5h 20210318-10Gy-2-2-5h 20210318-10Gy-4-3-5h 20210318-10Gy-5-4-5h 20210318-10Gy-7-3-5h 20210318-10Gy-8-3-5h 20210318-10Gy-8-4-5h 20210318-10Gy-9-3-5h 20210318-10Gy-9-5-5h 20210318-20Gy-1-5-5h 20210318-20Gy-2-4-5h 20210318-20Gy-3-5-5h 20210318-20Gy-4-2-5h 20210318-20Gy-5-1-5h 20210318-20Gy-5-3-5h 20210318-20Gy-6-2-5h 20210318-20Gy-6-3-5h 20210318-20Gy-7-1-5h 20210318-20Gy-8-5-5h 20210318-20Gy-9-4-5h 20210318-20Gy-9-6-5h 20210318-35Gy-2-5-5h 20210318-35Gy-2-6-5h 20210318-35Gy-3-1-5h 20210318-35Gy-3-2-5h 20210318-35Gy-3-4-5h 20210318-35Gy-4-4-5h 20210318-35Gy-4-5-5h 20210318-35Gy-5-2-5h 20210318-35Gy-7-2-5h 20210318-35Gy-7-5-5h 20210318-35Gy-9-2-5h 20210329-C1-3-24h 20210329-C1-6-24h 20210329-C2-1-24h 20210329-C3-3-24h 20210329-C3-6-24h 20210329-C4-6-24h 20210329-C5-6-24h 20210329-C6-1-24h 20210329-C6-4-24h 20210329-C6-6-24h 20210329-C8-2-24h 20210329-10Gy-1-1-24h 20210329-10Gy-1-2-24h 20210329-10Gy-2-2-24h 20210329-10Gy-4-3-24h 20210329-10Gy-5-4-24h 20210329-10Gy-7-3-24h 20210329-10Gy-8-3-24h 20210329-10Gy-8-4-24h 20210329-10Gy-9-3-24h 20210329-10Gy-9-5-24h 20210329-20Gy-1-5-24h 20210329-20Gy-2-4-24h 20210329-20Gy-3-5-24h 20210329-20Gy-4-2-24h 20210329-20Gy-5-1-24h 20210329-20Gy-5-3-24h 20210329-20Gy-6-2-24h 20210329-20Gy-6-3-24h 20210329-20Gy-7-1-24h 20210329-20Gy-8-5-24h 20210329-20Gy-9-4-24h 20210329-20Gy-9-6-24h 20210329-35Gy-2-5-24h 20210329-35Gy-2-6-24h 20210329-35Gy-3-1-24h 20210329-35Gy-3-2-24h 20210329-35Gy-3-4-24h 20210329-35Gy-4-4-24h 20210329-35Gy-4-5-24h 20210329-35Gy-5-2-24h 20210329-35Gy-5-5-24h 20210329-35Gy-7-2-24h 20210329-35Gy-7-5-24h 20210329-35Gy-9-2-24h 20210326-C1-3-48h 20210326-C1-4-48h 20210326-C1-6-48h 20210326-C2-1-48h 20210326-C3-3-48h 20210326-C3-6-48h 20210326-C4-6-48h 20210326-C5-6-48h 20210326-C6-1-48h 20210326-C6-4-48h 20210326-C6-6-48h 20210326-C8-2-48h 20210326-C8-6-48h 20210326-10Gy-1-1-48h 20210326-10Gy-1-2-48h 20210326-10Gy-2-2-48h 20210326-10Gy-4-3-48h 20210326-10Gy-5-4-48h 20210326-10Gy-7-3-48h 20210326-10Gy-8-3-48h 20210326-10Gy-8-4-48h 20210326-10Gy-9-3-48h 20210326-10Gy-9-5-48h 20210326-20Gy-1-5-48h 20210326-20Gy-2-4-48h 20210326-20Gy-3-5-48h 20210326-20Gy-4-2-48h 20210326-20Gy-5-1-48h 20210326-20Gy-5-3-48h 20210326-20Gy-6-3-48h 20210326-20Gy-7-1-48h 20210326-20Gy-8-5-48h 20210326-20Gy-9-4-48h 20210326-20Gy-9-6-48h 20210326-35Gy-2-5-48h 20210326-35Gy-2-6-48h 20210326-35Gy-3-1-48h 20210326-35Gy-3-2-48h 20210326-35Gy-3-4-48h 20210326-35Gy-4-4-48h 20210326-35Gy-4-5-48h 20210326-35Gy-5-2-48h 20210326-35Gy-5-5-48h 20210326-35Gy-7-2-48h 20210326-35Gy-7-5-48h 20210326-35Gy-9-2-48h 20210322-C1-3-72h 20210322-C1-4-72h 20210322-C1-6-72h 20210322-C2-1-72h 20210322-C3-3-72h 20210322-C3-6-72h 20210322-C4-6-72h 20210322-C5-6-72h 20210322-C6-1-72h 20210322-C6-4-72h 20210322-C6-6-72h 20210322-C8-2-72h 20210322-C8-6-72h 20210322-10Gy-1-1-72h 20210322-10Gy-1-2-72h 20210322-10Gy-2-2-72h 20210322-10Gy-4-3-72h 20210322-10Gy-5-4-72h 20210322-10Gy-7-3-72h 20210322-10Gy-8-3-72h 20210322-10Gy-8-4-72h 20210322-10Gy-9-3-72h 20210322-10Gy-9-5-72h 20210322-20Gy-1-5-72h 20210322-20Gy-2-4-72h 20210322-20Gy-3-5-72h 20210322-20Gy-4-2-72h 20210322-20Gy-5-1-72h 20210322-20Gy-5-3-72h 20210322-20Gy-6-3-72h 20210322-20Gy-7-1-72h 20210322-20Gy-8-5-72h 20210322-20Gy-9-4-72h 20210322-20Gy-9-6-72h 20210322-35Gy-2-5-72h 20210322-35Gy-2-6-72h 20210322-35Gy-3-1-72h 20210322-35Gy-3-2-72h 20210322-35Gy-3-4-72h 20210322-35Gy-4-4-72h 20210322-35Gy-4-5-72h 20210322-35Gy-5-2-72h 20210322-35Gy-5-5-72h 20210322-35Gy-7-2-72h 20210322-35Gy-7-5-72h 20210322-35Gy-9-2-72h 20210324-C1-3-120h 20210324-C1-4-120h 20210324-C1-6-120h 20210324-C2-1-120h 20210324-C3-3-120h 20210324-C3-6-120h 20210324-C4-6-120h 20210324-C5-6-120h 20210324-C6-1-120h 20210324-C6-4-120h 20210324-C6-6-120h 20210324-C8-2-120h 20210324-C8-6-120h 20210324-10Gy-1-1-120h 20210324-10Gy-1-2-120h 20210324-10Gy-2-2-120h 20210324-10Gy-4-3-120h 20210324-10Gy-5-4-120h 20210324-10Gy-7-3-120h 20210324-10Gy-8-3-120h 20210324-10Gy-8-4-120h 20210324-10Gy-9-3-120h 20210324-10Gy-9-5-120h 20210324-20Gy-1-5-120h 20210324-20Gy-2-4-120h 20210324-20Gy-3-5-120h 20210324-20Gy-4-2-120h 20210324-20Gy-5-1-120h 20210324-20Gy-5-3-120h 20210324-20Gy-6-3-120h 20210324-20Gy-7-1-120h 20210324-20Gy-8-5-120h 20210324-20Gy-9-4-120h 20210324-20Gy-9-6-120h 20210324-35Gy-2-5-120h 20210324-35Gy-2-6-120h 20210324-35Gy-3-1-120h 20210324-35Gy-3-2-120h 20210324-35Gy-3-4-120h 20210324-35Gy-4-4-120h 20210324-35Gy-4-5-120h 20210324-35Gy-5-2-120h 20210324-35Gy-5-5-120h 20210324-35Gy-7-2-120h 20210324-35Gy-7-5-120h 20210324-35Gy-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: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 23-Dihydroxybenzoate 1515.090419 1960.667077 2518.503958 3914.497967 2869.677677 2204.156584 2112.703737 1754.771466 1484.025102 2338.495623 1756.438399 1496.38209 1512.994301 2162.868481 1767.415554 1691.98314 1294.792969 1185.520922 2555.397684 1313.515945 1480.404135 1969.266873 2596.146743 1367.943235 899.2755902 793.8325108 862.4096956 1395.400769 1832.869801 4906.726352 1788.865973 921.8553647 942.820938 1389.43174 1107.582249 1431.217872 1576.446177 747.0148169 935.158609 1409.354381 1186.957884 779.3354607 941.3341737 1904.566993 1667.582629 1375.082633 4443.302664 2836.544073 1737.114858 3330.543838 4471.691805 3853.038209 3207.539363 4411.995656 3548.285225 3882.197831 446.7939007 5933.922261 3278.795653 2583.912797 1387.83951 530.105432 2720.90311 942.1969364 2271.330498 737.4174972 3781.469918 1289.931323 712.4545055 1647.528157 2146.642976 1194.53086 3326.64749 469.6446618 1008.308876 3856.048357 637.6402348 2035.446192 1250.966381 996.7165087 1483.427466 426.8097383 1183.03517 1125.580153 1263.463989 389.0605739 1157.454036 928.9112695 804.7115238 1325.998906 961.3959701 2266.990318 673.3152532 1669.763705 2687.072265 2332.239494 827.286904 5568.890141 2720.057924 3086.074385 1234.015804 1606.978309 924.1770606 2074.491698 1189.846454 572.6884112 676.8307549 385.1715501 721.6548664 523.5900355 435.2498719 857.0441611 900.6744669 422.6453335 312.8181306 95.93657679 743.2312581 236.8964769 332.7729972 454.8121742 169.9496061 538.8751439 367.9031128 781.4769871 157.8328435 387.811106 387.6514436 375.7807662 76.95872674 1790.147666 1106.495373 312.8401025 328.4254934 616.4930272 344.2013073 368.3264378 1074.148363 3076.433121 1933.668024 1359.885413 2069.827799 3316.183014 1727.252411 2692.399715 1846.010453 2009.22055 1355.467599 1993.768455 3149.288964 1542.504008 1858.761471 1346.180815 2130.638655 1732.502227 1457.005542 1434.317372 1552.444089 1689.865051 1709.567973 6824.845605 895.4788483 2144.57176 1362.889702 984.5484784 160.8517806 1248.559727 683.4325741 1467.014468 1339.661024 1330.964552 2554.501231 789.2931193 493.8708629 230.8820394 417.562504 1005.238671 515.4062404 269.8865308 382.7590371 661.9089149 358.8887805 529.9838542 939.1809289 1029.434111 1731.384591 1416.460089 1761.623764 1669.97317 1882.031163 2480.201102 1718.964616 1726.908185 224.2479947 1827.880718 1774.232697 1497.19212 1063.758591 917.9634113 1887.695515 1496.69995 1961.014233 1165.337548 1654.923893 2447.619725 1315.733641 2102.602529 769.0555478 1549.743012 1539.817579 1807.174413 217.54364 1320.198328 1255.460364 511.2740611 404.905233 1562.097071 1734.762402 577.0241966 1575.142512 264.501954 556.8569352 415.170498 581.9048848 348.2631766 303.912193 936.6483029 520.3176893 862.752457 636.3116681 2-deoxy-D-glucose 7597.128497 11144.91735 8334.136202 6671.777538 11548.68731 7720.060436 10408.38601 7749.556418 7340.081655 8388.445228 6680.82456 10442.71475 8125.155748 7383.745543 7100.498832 8296.073401 8452.561917 8900.668041 7077.552817 8641.370008 7817.199717 11094.44611 8392.075562 7395.47786 7222.374324 9227.978169 11209.04557 9883.86232 6434.9069 7162.752334 7899.060863 7467.508293 9944.33715 9277.800179 10705.08609 7540.065028 7490.258385 12167.3615 9323.089074 7612.122352 7862.357997 9970.175907 7924.646073 11870.63837 8714.241756 12330.19253 18291.92287 15879.59487 12668.97375 19824.4001 12171.38367 13906.70629 16366.72804 14084.75015 17403.81645 14370.66679 20258.5304 15390.61388 17506.99861 17973.87874 16654.93813 17617.15715 17679.34534 12117.8545 11733.5731 15836.19221 20006.00131 17546.44055 19075.29513 14962.96439 21800.61169 17119.74763 15312.97851 16007.12907 15220.5337 18628.39527 17969.20349 15432.92935 17206.27635 14849.50206 19236.77775 20729.0524 15212.98491 15549.40737 15632.17513 15068.95477 19655.71828 24730.12205 23544.9698 15234.19067 20446.54328 6461.033779 6392.026703 6241.223789 13001.18963 9869.237261 4953.653873 15643.53097 6845.737756 12982.11597 6271.207657 6262.698462 6711.361622 5909.803124 5998.871156 5756.449373 7186.935351 6503.272425 7670.62643 6762.958462 6259.621322 5488.903375 14011.46351 6201.570556 6572.667504 5128.420831 18249.02347 8550.55788 15213.78781 4463.201537 7414.067474 6849.452605 6377.194197 14619.38115 6079.860253 5465.342701 15586.63653 9496.603663 6718.952669 13994.47201 15208.16367 16643.65528 5322.914525 9593.996492 7128.600305 5167.808993 9203.960342 10673.6424 11314.80929 7942.640236 8947.854698 8789.814166 7469.713385 8625.838326 7547.106723 6773.976237 8128.586318 8490.901315 10903.68263 9906.047693 7758.979919 9069.787814 8591.805387 8813.321057 10763.71694 9783.111913 9621.782951 10410.56421 10114.65167 8271.329506 7550.575709 8630.571206 9137.738443 11186.87172 8215.491515 7480.577495 9655.83894 8316.537727 10678.07563 7620.385684 8352.967839 8098.210604 8310.613944 10568.6931 7766.086922 8681.49192 9541.500712 9118.822291 7541.636252 11405.0106 9107.305105 7042.993576 12097.97794 6739.893357 10885.4695 11072.0264 9372.592229 7606.087162 10632.30269 9464.983264 9531.485601 9996.302786 7267.298265 10811.1533 12797.29932 10522.95089 8289.358244 11577.88364 10288.90385 12421.43876 11855.58305 7702.730874 11084.74601 9625.659149 8862.674389 9912.467045 9824.102031 8769.292215 11468.41275 12302.94774 10080.86459 8383.420385 8704.169021 5295.308621 7662.566705 10707.14904 8547.542206 7166.148329 9765.006343 10720.87131 9604.537905 5978.725684 8915.465973 9975.243008 6854.304575 10955.08739 10997.74862 11927.34457 11896.03534 2-hydroxy-2-methylbutyric_acid 109.4888746 125.2821308 116.6348727 140.4077214 92.1568267 96.10948652 112.4933701 100.0175036 141.0141515 154.4441083 148.7077145 134.8451577 139.8747741 133.5315551 122.8093974 208.4993487 155.6636846 136.6482501 103.9397432 153.6203906 120.8423516 131.2014414 130.460293 120.6155823 106.842311 139.152589 154.8581401 144.3406278 63.30892863 266.6245842 155.7253153 121.9299751 143.9530657 136.8062775 161.985965 103.3226462 167.8973742 131.2196145 132.5573163 134.4674723 155.3764699 176.5750526 119.9577934 137.4688073 146.0690523 156.8702237 117.7955838 91.70407825 100.1190362 92.9118025 105.289692 113.6979338 88.33572467 111.6929614 123.2005152 100.6654159 107.7209433 122.5478621 162.1514987 140.1611987 131.3792222 95.57653918 128.6967074 67.84549962 75.35733109 189.8015492 144.7329308 163.1138854 116.9481619 116.4717094 90.91986739 264.7333916 102.9959246 786.8748156 181.5193343 98.15396573 110.9209977 159.4733297 91.38012213 116.1264196 222.2121745 208.3247284 161.6458111 203.1991104 148.081926 217.7234068 201.5951325 152.9811699 218.2294895 150.0608239 107.6751153 73.33102502 66.8428159 66.20873104 86.21223176 68.45983106 77.27617854 110.530275 60.90809768 75.79743734 66.64449154 63.59337792 83.23736635 36.92349221 64.35625509 52.61837643 72.37298403 70.69828888 81.99922183 92.89007374 82.52229246 64.88564681 107.7007948 44.73083487 56.37073655 59.00307762 81.12177481 96.2011424 103.8923349 90.60934359 50.65528132 71.92853203 64.30252578 95.17949539 90.16015076 63.47880807 79.85004948 87.18726069 121.7652315 68.18802396 88.50323369 132.4451169 71.69070082 94.9302072 75.72395461 43.29792161 67.83009195 127.4237969 128.6611513 94.93060227 93.50203476 91.78822783 73.00588369 84.91008616 80.2842297 90.99295505 122.0635082 92.38004037 117.1535975 74.78211143 94.75045106 65.1436265 82.51636643 80.99140222 40.66913616 95.17001375 58.17501415 79.57863745 106.5136141 258.5296317 56.64886474 107.4222715 65.38027251 85.01161875 91.86763659 87.81620966 58.06123444 83.49811152 103.9646325 93.03585399 118.6793519 66.3244861 64.57749342 68.82961512 90.83532274 86.37737037 99.8835754 84.98040834 101.7127423 71.33829977 103.3850671 80.39208339 75.00690537 81.46074354 92.76483704 88.61266765 99.14084672 73.44203925 123.3490609 95.08151842 92.97145784 105.9249621 96.09328871 74.64462761 92.69728033 110.4615331 99.61413872 100.8989013 105.7211068 113.0895284 96.29793417 141.1717838 102.3531483 102.9793318 116.1165429 141.0817082 71.18145759 109.2395864 78.75136412 124.5228093 117.5277273 123.0085119 77.76566835 62.81548814 103.7856665 89.91441819 78.44597621 101.3034514 70.90530475 102.9327137 134.6977972 81.94391225 79.87414865 82.70007326 73.79444031 85.42486034 123.453359 72.70168098 87.22953301 2-hydroxybutyric_acid 1146.60292 1128.493994 1080.247275 1108.618584 938.7341597 973.9858735 946.0734558 1226.070019 1297.587941 1007.624067 1053.293101 929.792199 1100.587497 1431.288066 1095.895953 1366.327845 1273.979231 1132.20657 1210.833849 1104.580343 960.6671778 951.1745478 800.4313079 1481.434495 975.589525 1337.207508 1268.540632 1394.293554 1295.323092 2276.508127 1099.046018 937.8361149 951.2919845 1487.954695 1633.721188 813.1904525 1687.937438 1094.520267 1088.885282 1469.925705 1211.611497 1152.101717 1227.866109 1160.145633 1695.427724 2054.023934 2335.814613 925.667114 799.7000428 937.4729495 2325.804867 755.1757694 843.4782481 1073.142852 2082.783079 881.5435068 2428.439549 2022.795658 2329.993111 2193.432072 836.8050842 695.1942694 972.3674191 554.8377568 458.9828197 2176.828111 1043.552769 998.4590755 2262.984164 759.9442888 2229.077543 1327.939883 863.0112167 11755.10786 1172.559376 743.8900104 912.1549932 2621.860643 1208.733806 875.4318676 2588.040867 1085.144087 2197.662751 992.737247 991.2194525 1086.346085 2738.155475 693.4376542 3671.777687 813.0453838 995.2863127 468.6619666 459.2285484 471.3837333 890.1686846 443.7683612 429.8575481 684.1246333 537.2883818 905.627885 551.7143371 670.3460597 525.9226869 511.9901627 496.755967 379.6765791 486.8962242 382.7032862 309.8609947 551.5021617 473.9120749 394.9324858 741.381406 403.1125887 560.3523442 622.9806093 1042.027079 701.3197247 607.3585766 431.881603 420.7201886 573.5802485 516.4478204 552.2600721 341.5876358 440.9370528 570.8782191 454.5409518 680.316331 632.7041651 568.3301403 832.6326298 407.0531305 462.8493468 484.0895874 435.3672011 477.9858431 627.0247716 632.2067864 471.1735316 556.0752823 555.2315149 474.1735935 601.3387157 406.2705485 592.5980749 532.816908 705.4270462 608.754987 549.3537621 445.5595166 573.1095151 661.9073988 583.169591 655.5016746 626.7000939 522.599921 382.8365127 557.7825543 1147.776299 379.4180211 589.3996537 609.9352745 525.0739851 484.8307211 513.5040097 460.545023 549.3419198 536.3735603 407.1962255 435.4935195 339.5793707 359.0649699 463.2006698 425.2262026 626.9152299 580.8001342 361.7739073 412.4759396 401.0964287 458.829856 481.0184714 511.4296248 552.0636864 577.5385538 567.2929478 579.6316891 573.6809085 589.3128098 614.9228773 555.5216525 635.8789016 613.0794183 629.985359 613.3261339 626.9981263 444.6496294 546.046786 563.2803651 555.9440296 494.9312583 584.8531783 494.1822297 406.6001606 503.2722198 512.8467593 518.2399626 550.2567413 452.7122956 671.2993688 524.708846 561.7763867 553.1778541 390.8458884 678.5814269 603.8710047 490.8673587 469.0073685 487.4350511 531.0099628 489.0633742 555.008484 513.8198057 349.873333 470.3307511 455.4320886 520.777186 490.0038541 529.6184868 4-Hydroxybenzenesulfonic_acid 63061233.4 103047026.1 66942917.03 39918471.72 46666436.68 83361810.02 33111175.53 65342572.88 110563587.8 94830933.19 87413874.8 37005843.83 46903950.9 131460341.9 85210285.5 48890040.42 61658719.13 83903619.82 31755034.45 80050679.78 78314740.79 84012250.1 37278439.23 117729976.2 54214257.84 119773433.4 82585743.69 130788025.3 69563546.16 166715720.3 89548133.09 69290099.27 60588730.57 81357481.26 71835820.36 35074475.65 66991408.02 58703093.06 36684066.46 103141637.1 67609811.32 63640404.85 31959819.95 74160680.33 126556592.8 55317611.64 44788880.76 124969894.8 50946990.94 132087803.8 68708730.61 36750971.36 26922890.37 31508248.85 41406219.16 60952038.28 124910118.8 94133091.85 43131495.45 108604612.1 37753480.88 44335405.62 21557873.67 83730906.6 47034964.4 85736152.84 91655772.31 139075690.6 73549523.69 56645817.68 163612351.8 86165892.55 71451976.62 260837768 47748132.79 46798803.82 114986525.8 62743891.26 82897084.62 67083479.73 41437936.84 61945095.75 92960675.27 20813685.77 78924735.24 54565064.8 72984747.68 76177019.44 86632854.52 61195306.59 125758161.3 11643769.2 12690417.25 30042892.78 37747895.45 39322921.16 10632708.33 35798044.02 12623487.88 47036895.78 13989666.42 6920222.791 14839967.56 12131532.33 25220440.9 20409492.9 19579224.91 15399354.65 23590578.7 21401623.55 23778510.99 12786086.62 78468870.46 16554905.3 27011147.29 15588352.45 70855913.35 41931737.64 15120629.44 9754948.145 14199800.54 16953512.51 19097100.23 22552440.02 9907229.207 21067118.46 18887161.65 18413772.12 25143232.71 13743912.01 96985208.56 32578148.15 6423268.668 35747998.8 23293854.4 13443932.91 36446263.61 41894408.38 34016541.11 24272264.53 26887041.92 51195925.78 22131141.31 33818876.3 22301325.72 29027561.74 51155467.91 15052440.46 45115770.43 39792898.73 31335263.56 49162381.74 64664572.04 55488983.92 60485939.55 41392463.61 38635754.99 17967755.97 49712289.68 145404012.8 30261813.87 66965130.37 17438765.31 31767497.53 7125743.659 27043541.32 12438086.54 49828142.87 41789472.92 21078955.34 30519068.54 18231217.95 14444916.75 16224979.16 31607233.24 34563010.7 16703742.5 15309073.97 20342712.99 18183989.2 18280871.38 8927992.781 52139054.64 12106626.32 20780976.24 48192425.8 17671195.79 29348797.37 37429701.82 29325213.1 31085807.13 18548255.87 24019711.89 16631417.48 26195600.55 21285090.17 16459895.49 49281176.64 35861617.58 30305703.85 59191831.72 27162118.85 48059854.72 18708849.58 39401796.58 31203524.78 24748582.09 42846543.98 32163709.09 46775801.13 15374475.75 32977206.65 33803914.42 25887493.31 25948364.13 34029224.68 29826655.23 12190633.71 15270892.74 17634978.57 18167175.82 3701813.489 15268264.38 22258529.56 14764587.59 18217635.39 19793270.75 18275300.35 17595257.03 5-hydroxyindoleacetic_acid 1094.942196 1686.252355 867.8982652 1471.288586 1181.589345 905.1443172 939.70262 921.0622106 1304.991797 1880.817311 1253.063414 1267.190812 1241.784228 984.208269 1048.244895 1045.007561 1128.179357 1381.430847 1008.832598 1851.621135 1447.292736 1434.577409 839.8360248 1956.202657 2078.5728 1203.23308 2142.864829 1262.699195 769.5052519 1953.551012 1743.064151 2076.601784 1126.415605 1246.77729 505.9065955 1552.772849 319.0839612 646.5240141 946.6239083 1210.550176 905.7620983 958.701396 997.203068 693.8992698 1372.125352 1111.348163 3138.988786 1342.957256 3684.156576 2426.204401 2392.91509 1931.223974 2053.156856 2223.992063 2898.395122 1348.596181 3824.92376 2693.289108 3547.744616 3897.559846 2947.116927 2804.664886 2332.844565 2598.486446 2194.222232 3660.80124 2998.125324 2627.932677 2902.009543 3598.108488 7069.142604 3183.582689 4533.471931 1479.862639 2255.234138 3194.503509 2800.075654 3999.545885 1489.886205 4022.390416 1852.94094 1261.209567 3854.733706 3608.303214 3179.916118 2175.838563 5169.080475 3655.360219 4184.318609 4744.861395 2161.735235 1096.969374 742.0487578 289.4625588 2405.984772 999.2208857 556.4964527 1768.564338 727.0468387 1675.015959 688.0811621 395.9522493 848.8673967 1065.903808 736.4084962 821.7572346 770.4827367 852.1421717 1149.795011 1486.793288 921.2855211 802.7076454 1989.836963 666.4093461 889.2758998 1193.760436 1918.536728 1834.649537 2066.166364 1186.793683 1614.659276 996.3392442 895.1274372 2245.53016 349.545118 1030.795921 921.7896412 324.2669043 1058.775255 1969.323152 1845.803027 1087.903235 997.536028 1075.594414 904.0732291 1247.629079 766.8322118 1456.631661 1720.023053 749.2388211 1748.931734 1250.08282 1108.544079 1146.645932 1082.170708 1117.217084 1144.065158 793.8808633 1440.624176 1079.043023 910.8915539 1120.807436 1001.745498 1423.942748 1289.287854 1288.819838 1308.836214 1162.935563 1230.5251 1335.624114 911.5267185 1660.959432 1572.450917 2237.492319 1027.296498 915.011432 2279.84242 1298.632128 1416.015894 1144.288468 610.5750351 1622.834847 524.8492095 335.8081793 1083.334062 1199.131922 1252.672955 547.4436857 1076.870092 1454.873258 931.5350719 1951.914293 651.6441093 666.3291148 777.3318169 364.2568673 1019.503363 780.6386843 535.6510192 531.5070717 707.3473758 705.0955502 542.5348663 426.9643278 799.7337379 742.7360728 435.6413448 601.0408802 721.9280806 581.2692092 653.322281 700.2228348 690.2968837 570.684024 982.5327716 533.0328039 423.5865894 626.8566438 495.8629717 916.6428022 504.6295803 410.3430732 1199.426104 429.9890485 521.5182727 588.1744512 226.1667352 597.6872111 178.7179341 74.3396644 405.1788508 342.901965 379.1584973 215.5494575 383.1245988 510.1468206 312.0356399 1200.320683 452.3441679 5-O-Caffeoylquinic_acid_methyl_ester 941952.5686 713148.286 906994.501 921671.3721 938876.7675 968867.3829 937098.3471 933985.2497 863833.5045 783394.2936 751083.9888 910080.6706 796349.8017 1031015.001 913347.741 983452.6142 1019932.023 889076.2675 943762.8266 748378.6501 757940.0426 953831.0584 961340.6361 787501.7047 742887.5554 791366.8577 867736.8991 787496.8864 926567.1288 283122.331 887031.9851 757951.1125 956688.1134 976031.9011 947336.9891 827778.4135 963649.9265 721791.3601 954236.9568 836077.2821 891984.098 758202.3975 937484.5147 916758.2328 965801.6454 935511.1349 1034176.19 821664.7786 970234.3242 570131.711 1212060.291 897255.0743 639222.3567 775555.6363 1238815.704 677436.6686 1259258.894 1282264.031 1050225.217 1109631.176 693798.9481 832727.1413 621709.93 549834.0773 651583.4112 1250074.703 1003653.393 932953.4566 1285631.585 946039.2731 1305317.321 847166.664 684037.0155 967069.7806 827900.2135 870020.9696 625117.5858 1320994.789 707283.039 937315.2938 1242360.255 635234.3363 1023572.117 812572.1972 654972.678 758081.4513 1160896.326 617261.0275 1630554.614 695353.8957 615276.0898 494085.7173 190448.3484 344063.3238 1040616.129 545293.5655 237419.9105 1117406.921 608621.186 1039548.626 360029.6771 295569.8105 349948.3626 447245.2565 422589.5671 431045.1838 367740.5877 283806.3811 435967.8988 508133.7051 379328.3311 312502.513 1087628.83 302826.7309 356439.3518 356026.5004 1089320.185 436457.7824 996980.8325 356604.1203 339802.2751 414611.7882 336448.0174 1103328.62 269053.1792 305553.8436 998245.0947 507719.2679 497581.6887 909023.7185 1054541.372 1071246.911 296899.2116 392601.8489 363218.0989 313967.8336 581640.5924 692519.6515 418248.9854 486832.0904 619903.4535 778538.1508 400379.9111 616711.4027 481414.277 393207.3419 741008.8344 424062.6946 709744.7472 483576.8219 450720.0333 405333.1523 801007.3866 473045.6952 622216.8608 586133.9577 429196.3182 629102.6175 536333.1527 727282.2108 411137.6822 765837.4041 445305.8489 599373.0458 443792.8025 614212.7946 421848.7339 526069.6566 500951.3773 436200.7033 750725.6942 471822.2668 467594.3974 409847.2547 570730.251 644267.5425 443945.7996 535786.303 430345.8248 429596.1784 419914.7546 473754.2943 783186.465 147626.7086 344367.7629 454521.3587 316725.564 172784.9679 387730.2143 348858.5361 426804.7197 329984.5353 181056.1768 358783.0414 405227.332 367639.4333 327844.9537 401462.5711 400006.3077 377079.0868 398985.4931 261523.9623 354381.8343 378161.5028 371135.0997 429241.6958 392442.905 357120.9622 395186.0889 340205.6119 354312.1515 404613.7576 428167.5136 138201.4491 144742.6343 418859.6018 424416.5063 196727.3922 402160.3138 329346.0459 344491.6976 157209.0517 294736.7887 356117.2557 178896.1631 365505.5239 346286.2503 384269.5874 366739.5038 7z10z13z-Hexadecatrienoic_acid 14.10098745 20.45806999 15.27443197 27.92696347 14.71384716 20.11754781 16.56018063 20.2777149 15.9884991 17.08948071 15.36213615 18.42055211 18.40731626 14.8056959 47.15008906 32.1165762 30.30995027 25.27698696 39.24681923 24.04712298 16.81647471 17.4210453 36.30204436 17.96424971 25.60948742 19.87408849 19.6964073 29.16819156 14.58028546 45.52675952 29.28103047 21.55169836 25.88810863 31.47604154 29.13182641 16.27260182 25.22711858 10.33398588 16.52541982 18.53512906 20.98108639 25.17016434 21.7654773 23.51113813 22.3989261 13.46432996 23.19668655 17.1856077 10.75124923 19.52140002 26.94884793 11.65342578 17.47011151 10.75218509 16.00146755 11.28161887 22.7390472 21.7364654 33.05137443 42.53238366 12.96096678 20.11420542 19.7139214 13.06458072 10.1243515 37.88312616 34.54100857 15.54797276 26.72571031 17.35446499 32.16804892 18.68593747 21.45035724 109.3970626 22.63195718 19.04089876 17.96759209 25.57472662 17.1392154 11.75342994 24.55703724 21.44942138 17.66142963 14.05767014 15.92125031 15.26387004 29.45323015 12.97447002 29.18169479 20.91250065 14.82133826 6.686775393 4.45219049 6.819401229 9.496918989 9.288086776 6.559497373 8.788600764 8.600491338 6.589177751 7.236931961 5.414797365 6.219911059 7.07101597 6.744799196 9.654545865 6.856835941 4.258599552 11.47012939 9.710564237 5.952119174 5.280567184 16.50202313 8.38858413 8.921895077 10.79523501 9.414428928 7.731471243 10.61100275 8.01691092 7.153372336 3.872620934 8.929114629 15.99825886 10.52209531 5.561327522 12.0597261 5.573627499 6.215499111 10.48479429 9.787038006 10.32088373 4.777872483 5.073740401 8.206892082 10.62250056 12.99920367 7.646440969 10.51273663 6.117634078 11.42092948 10.48345734 8.367995038 5.916288807 9.059066557 6.457621479 16.17714331 6.373794463 11.95825129 6.853760947 5.207970582 12.05825545 12.57218056 15.8171016 13.14987838 9.564969948 9.800541241 6.505751822 12.57859794 12.98062001 9.089950194 14.60662345 6.909913014 11.97362626 4.358871101 13.28424226 6.829160993 12.82593443 10.31353049 10.86435553 6.84319901 8.310907103 6.484360558 8.252081127 12.33767883 9.07029697 11.88485252 12.34235817 10.02367886 4.206725737 11.79246899 8.334437493 12.35292011 5.468944001 9.101046912 11.75316255 10.67116568 10.07461681 8.559580545 6.156405744 12.01426966 6.12164494 7.256317794 4.218892018 9.854687878 6.064824396 6.526340914 8.687928129 8.479898087 7.173560341 7.863963383 6.482756214 8.497813271 11.49780433 9.355602952 11.68644854 7.095081142 8.756781259 5.559589482 11.71532675 4.045756476 10.30550876 8.776167092 4.78696377 6.764051334 7.195887473 6.210819772 5.791551 8.016242443 6.065492873 7.538147695 8.019050046 8.142718291 3.540254172 6.169908979 7.48453584 10.63600379 5.974580001 8.628433676 a-Ketoglutaric_acid 4284.943791 3940.485975 3709.273507 3778.881614 3835.979997 3738.343661 4735.686805 3881.129352 4802.41858 4299.738245 3812.984797 3887.524389 3451.050452 3985.928924 6242.513701 4513.710384 3919.543721 3738.19576 3528.232384 4702.126659 4055.876982 4112.291049 3489.948256 3785.784368 3203.557903 3763.160023 4277.60175 4826.091474 3656.009497 4596.48825 3561.130289 3158.37985 3830.324462 4956.789067 3816.337941 3405.033562 4154.352156 3499.967956 3660.74231 3732.010433 4134.606349 3572.770271 4159.296886 4380.379281 4130.127396 4733.020182 6556.192782 5365.908053 4829.969996 4896.456743 5921.51907 4571.12002 4925.211229 4191.00055 6178.627353 5275.434952 7415.860524 6248.518016 8998.399179 9764.238468 4869.039983 5586.727759 4828.10027 4736.212182 3125.949929 8280.985129 5952.898236 5566.288808 5809.379665 4196.788532 8316.54524 4877.920629 4452.020467 15011.71583 4919.913304 4445.877082 4805.974812 6875.843065 5193.204539 4214.234157 7649.7352 4866.677991 6556.592334 7113.141525 5688.255863 5669.874272 7848.171175 5103.563654 8153.102058 4310.623273 4213.375451 2169.92839 1056.805725 1206.887101 3624.921717 2178.193152 1360.835961 4648.33065 2247.852032 3556.724182 1878.085589 1254.241717 1408.67622 2434.720871 1460.439152 1702.309279 1669.084669 1444.781577 1853.161061 2670.120908 1378.778266 1614.72134 3192.573539 1252.345502 1521.025335 1531.426927 3301.82999 1182.106058 3476.886665 1653.983376 1582.929377 1678.678327 1312.964797 3330.867032 1025.512651 1408.488586 3702.262586 1967.187851 2051.402778 3769.230561 3908.808801 3555.516696 1819.859189 1701.852333 2295.539976 1488.149505 2020.535745 3611.427461 3723.319629 4138.255295 3305.443616 3478.438515 2993.67841 3389.300933 2407.376957 2849.771325 3557.898555 2550.138367 3356.581833 2111.331136 2142.725754 2621.984847 3669.603089 2306.99453 2330.965432 3264.457546 2523.701723 3007.563388 3098.720804 2706.451426 2289.072093 3094.588423 3585.324145 3084.966067 2405.0547 2787.350735 2395.147581 2762.627087 2465.715938 2178.257169 2760.631535 2251.558371 3002.846027 2342.298576 2758.695585 2575.705268 3419.119419 2533.19163 3211.621785 2861.009547 2291.0544 2393.319797 2886.545544 1851.492214 1933.164138 2570.054149 2145.414451 1112.155793 1864.540561 2522.021839 2962.146929 2469.0448 1588.399484 2095.260764 2588.94125 2303.932771 1751.915513 2576.153384 2789.63105 2500.170108 2467.790958 2182.374098 1881.917754 2273.491779 2454.552769 2735.905679 1969.69995 1751.381306 1816.28309 2189.431375 1949.210227 2101.887585 1775.270531 1397.424753 1408.395872 2452.952354 2103.315817 1566.865628 1657.073832 1848.485642 2469.517199 1220.652875 1837.536598 2061.669715 1451.856514 2075.865945 1924.687458 1892.21118 2004.264494 a-MCA 34665.44028 48205.72828 31206.77926 173861.7451 49293.23015 57953.78452 22376.18832 92640.8721 6506.742589 61341.23799 33512.48648 96469.66843 55128.37791 20847.41645 111566.3407 24968.37407 45240.89369 52012.65874 130862.5639 54640.46192 24327.63371 87890.04787 149724.0286 36511.34479 87337.95494 50588.7083 55186.76281 111276.9753 75217.52833 491808.4354 48199.74499 49161.64328 107866.5266 47276.44212 35488.4661 12688.42946 140675.4163 6012.633847 8427.415471 41021.74453 36796.19316 5354.954493 46845.8273 11524.60192 70298.03357 3989.835202 8287.859986 88775.60228 26150.56129 170106.087 126438.7625 14406.98184 56586.27919 3891.534373 14160.40104 15185.50182 30462.97512 145455.0915 120790.3899 113448.8462 66807.43435 48292.68181 49486.19812 28968.50928 8399.293092 115965.9266 117738.6109 59823.47648 193276.8327 64939.53646 44200.9303 134031.6136 110096.2998 850180.3443 295453.7868 59817.62979 74881.76278 181668.3828 27903.18292 29160.92172 160840.6374 35190.276 73019.64784 89869.87975 66087.41766 18536.15396 116575.0657 76818.05415 73313.13874 71752.89312 28719.91582 3394.538716 13832.67697 86094.34108 5275.641734 128356.5393 32755.40436 19270.76005 32352.88459 1294.184961 76249.21346 446.2059852 40854.64951 2964.8437 38699.56276 6149.830622 14648.2806 2535.276182 37402.81874 12012.14452 8312.385105 22340.09733 79897.36358 35939.2529 92467.83933 22145.38992 49346.92495 11134.48587 21046.94145 105031.6214 20334.36518 1960.388456 90267.35424 51376.18045 40420.96564 43102.37255 39818.3107 4444.674612 21599.08903 13084.02791 42756.78057 47804.54725 36303.32296 2717.461477 82073.83354 31688.88499 58987.77372 3936.723248 129331.3787 8788.908253 51455.93035 75445.84052 2641.163132 2930.610532 136738.5474 2879.520329 102888.4102 738.8681524 94664.09877 66958.73785 3196.042805 49771.31059 63834.55828 102082.633 84902.18171 22953.33458 50105.30938 2875.139868 37142.04013 70310.59211 44489.58539 92260.53696 101547.2969 26097.7954 5329.008684 119854.7198 35779.09741 44713.12552 175347.1769 49545.78514 6145.003918 64338.52079 9236.635105 14060.97094 37427.30743 36294.54383 38008.43344 31613.1786 48639.31198 2390.493286 58863.5453 22709.35837 43935.07911 3537.463786 64816.88355 92288.04006 24364.33487 217600.0769 21444.10631 30370.18402 158908.1346 1338.235462 36358.53863 6716.749733 75025.05213 12260.7653 14733.09398 79187.80172 64716.734 71667.67904 217572.8743 81930.72633 80171.90284 45180.75114 82556.56766 53634.48581 44114.80551 129468.967 68918.93505 270373.8339 72241.59231 188910.0593 84792.47893 121564.1561 146186.2825 121036.4243 25997.8371 59841.00743 62152.45206 21467.61145 82477.97435 100687.5335 44668.10968 8839.688818 71259.05759 48201.79406 112264.6008 36888.83855 70802.25107 ascorbic_acid 1214.166025 872.516672 1016.365769 812.1994861 848.1496599 897.2258887 889.9147661 926.3183824 1083.905766 1194.749517 960.6084814 807.7143119 718.753829 1014.464537 945.6117641 827.6717235 1224.309889 935.3600588 1015.079317 722.1784234 949.9339028 1013.0643 739.9297611 1395.43686 1052.14017 1112.836074 708.0274526 806.374364 1061.317709 3032.443061 601.2477006 1224.910233 692.0355396 1407.352037 979.8152505 856.8644161 1128.045926 812.7055754 679.3544357 934.95247 679.8231627 812.8796497 850.1604309 817.2221678 752.4665106 1140.008655 1302.121971 1397.739737 1369.087948 1445.237408 1741.475434 1327.135181 1511.997892 1145.647814 1571.837011 1412.526715 1738.915267 1499.072235 1442.885282 1502.926496 1322.440269 1333.365345 1392.53364 1277.547768 1275.027511 1431.911805 1702.168597 1431.372599 1210.04768 1294.133232 1232.628095 1087.70738 1202.891102 1718.168153 1409.540279 1627.650341 1104.748834 1503.039432 1173.193169 1536.257912 1648.433969 1629.828393 2231.493023 1728.101429 2057.517177 1756.910309 1652.177841 2174.541841 1819.406396 1598.883919 2053.712166 444.1519708 224.959251 228.2734567 743.9793248 536.3256114 316.8857909 1272.523388 374.8483028 857.0784002 466.6924759 322.8289439 295.7489194 968.5785391 313.8959579 438.3370384 280.2274317 360.9121653 359.9415947 521.132742 273.7314865 290.9869246 707.4152204 244.7086225 272.4339958 243.981756 626.7517153 260.2377526 763.7779466 221.863275 283.6537243 214.9011503 188.9402965 904.9726217 279.6907732 310.6029807 764.4241446 372.933485 424.4968541 926.2232784 889.9045764 849.0905105 306.5024684 423.2324799 396.5456088 287.7245166 290.8383246 437.9387903 383.9205483 431.1371536 269.101958 368.8847704 379.3818782 458.0422545 308.9046944 311.0504791 403.9390983 337.0223717 457.0402656 269.2106483 282.8903446 399.4208075 440.849653 233.5890929 379.0974152 466.0861877 276.6372544 408.4225741 405.9889298 825.9038075 318.843915 450.7234897 522.9932146 339.8941739 303.0591929 328.049476 285.188126 348.3745666 298.2904049 259.7444004 426.7768035 345.7218434 398.8493342 294.2722595 361.5473244 409.9841484 404.5827488 371.9586687 339.337136 398.6778073 317.8079604 364.6721712 362.885574 149.492502 268.2409269 278.0417372 313.2854239 136.8504587 282.3069833 251.4635563 281.7406048 280.6375678 208.6276806 225.1885196 269.7855183 247.6899642 272.9502748 273.5650544 332.830152 229.7569098 339.6818881 261.2125689 271.9279064 345.796568 423.5534561 221.910827 307.0111051 295.9323344 268.4795361 335.0116007 265.8616277 282.9761081 278.3423339 181.2479087 125.0898259 289.7709516 286.6452556 246.2404768 294.2077246 201.6621593 207.0491235 155.2157269 249.8841501 391.2189338 156.4868942 328.7075619 267.2321448 325.291459 279.5039617 Benzophenone-2 162.9890594 276.3243735 417.4443509 163.8405173 172.4623387 309.873112 155.3917945 152.2054848 239.5666533 378.8163743 165.8532833 106.398415 196.8735588 160.2997334 125.4439386 208.7191165 220.1943657 109.6142342 148.8651498 211.0061052 191.043627 184.8685776 179.1574036 268.9394333 132.7522259 305.3138894 70.16610846 216.2559228 127.4642618 173.2500992 257.1899614 121.0693305 192.3837915 157.7345634 147.8521092 137.9340277 186.7179615 28.87111792 94.03464105 106.0705713 156.4746504 268.6382201 149.7569135 159.5292467 147.1784282 61.92287276 321.5491699 134.3698521 51.03853399 132.1872264 163.9859057 162.1937415 101.3821545 158.0771619 138.1704638 176.5145012 111.0130579 117.1276488 68.1648584 161.4675191 51.99147594 38.16230186 84.46347644 44.46618555 48.56837029 59.16840991 104.050248 109.8010079 114.1093995 67.39149275 137.5162159 71.56889082 115.8195128 17.36527964 134.2190656 66.31151588 126.5854536 133.7515914 154.36148 50.7470374 109.4166643 64.98718569 124.6565379 105.3627024 155.2780748 179.5777345 151.1708519 86.74290781 176.1301575 94.83211815 104.4644611 103.1016245 62.03731216 80.1284543 145.2045285 73.6608287 31.22144414 134.9924312 100.9377122 109.7815748 28.98303822 51.82125632 28.05096887 197.5292462 40.87034118 18.57912902 32.04051357 22.40241271 57.06675547 34.07019354 14.18364833 28.91574209 73.10950428 12.20219125 11.42918548 7.084806653 35.86487687 9.375034191 63.72043507 40.27979068 12.81469397 18.87926255 12.97267792 57.70085053 10.90053302 19.93080951 56.14512242 25.91800554 51.55423105 115.9213567 62.43029275 121.7091835 25.37567794 56.67269527 57.00773641 14.54136143 64.92708701 220.3584675 91.56555697 57.38596223 109.7326322 103.8483596 54.66424777 59.70713879 76.81798869 96.56814229 77.8598191 142.8099379 176.1528295 73.20343096 131.8352712 79.11073533 127.607491 59.67511015 97.16948896 123.7694526 86.44709275 59.66971207 68.87488652 1059.72758 70.12328365 170.7133591 76.50058129 54.30833403 26.87634557 53.58714987 30.77952091 66.3489426 63.18098644 41.24496828 97.76507767 57.39208006 28.54579333 29.53364289 85.86086072 128.5625922 32.19741791 40.18514425 50.3554963 33.20002224 31.68100111 26.63739034 45.27265945 72.1986674 60.32288036 60.86916656 93.18714171 59.3206359 85.65645323 121.8862407 57.08007075 81.59385444 16.68368144 87.81496749 81.80294027 65.00337994 23.37766673 48.15919544 66.7300474 29.86364582 66.71493277 26.97710983 40.60799425 43.80150134 37.76752191 73.11346288 32.08909634 46.59447053 48.16963174 70.40218471 17.43689423 37.29500953 27.96459951 27.45466041 28.80274218 33.99246112 28.88299371 11.38384156 42.97415485 15.88980307 29.23206987 33.32093934 25.27311432 39.39162575 14.16745407 55.10437163 24.8103185 35.46973705 32.59615646 Biliverdin 121.4483544 176.3605067 181.7540144 142.7769921 77.83841435 184.2529121 157.2571085 152.3704466 150.5505553 86.60125837 266.8238147 202.4704543 169.2267641 145.6760989 284.2306605 169.1522469 153.0166911 224.2924477 162.4553296 196.1095071 228.7776157 235.9479745 285.8629739 151.9021442 220.5987043 260.0523801 268.6610505 341.6731877 125.3855636 303.1156461 229.0955988 114.3120422 183.6034557 146.9640911 164.8032656 151.733838 295.6086749 273.6145209 237.9991263 207.6294896 286.3402698 317.78591 305.2046989 199.3587164 278.2686376 175.5234724 1399.540729 627.8098198 651.4439957 394.3703787 1326.626877 355.8346785 591.0528978 776.3702504 995.3867478 731.1504806 1294.994301 725.1467023 1577.587509 1176.795156 766.1318362 533.4767536 611.700602 402.6128868 592.1655176 1549.823407 390.3567251 456.0109255 1429.413155 507.144539 1223.428827 755.2645221 491.4425966 6220.040903 462.054532 256.3432194 492.2481538 1119.632069 364.5660454 356.1674366 1094.134319 521.9342874 1078.411178 408.2318734 467.8129173 437.1773311 1101.76206 629.7125794 906.6521117 718.6707672 369.1912545 233.0141787 199.218033 247.3497573 351.7143881 315.1379778 261.275491 361.1035625 1436.176881 489.7248453 261.781052 263.0003085 341.1374343 243.4703632 381.3863891 486.4704968 410.0601157 416.424275 377.1787336 492.3323069 383.1754456 374.6342262 337.9383313 447.6405819 286.6878029 268.3783988 172.206812 215.9844159 185.612852 342.679813 485.8017687 160.760062 311.5007648 437.2537755 235.9730278 339.8867007 538.0884724 404.7212112 628.7130203 443.2549843 424.2261033 454.8976634 326.0097887 458.1430184 331.4328463 451.9246818 306.2909806 254.2727959 205.6059606 197.209279 226.8922006 202.217995 218.8282771 220.1374682 255.3333821 193.8457242 288.058021 186.5372515 219.2394068 222.4943977 209.0350393 190.8855904 196.3253502 203.6864989 190.5444812 240.0920334 186.683074 240.8654711 229.2985941 200.1873997 204.6423754 214.4439643 168.2631789 208.466524 122.6181469 160.2429379 159.7624301 148.6214577 254.3839294 201.2691847 156.5472674 181.6762852 185.7047138 167.5128672 175.2735826 239.5549952 165.5272392 196.0298507 246.2204354 192.32069 209.2785051 196.9728794 239.0442951 170.8128254 300.2133274 465.7090896 260.5695042 139.1410639 223.4669763 336.5771066 390.1363853 314.0863851 170.3734305 200.9524864 338.6032051 264.7334771 283.078855 245.544641 267.7173794 231.4377533 288.7562991 259.2840815 343.5496093 340.4295203 317.8841957 249.6141826 259.6052766 310.7164064 291.8686794 324.5181587 152.7783644 272.0104727 278.7048205 100.1402732 247.9581008 283.9865523 297.3534065 130.7437399 220.3147679 263.9883046 229.8850963 247.7409729 263.213582 290.8787562 217.8100887 235.9711006 330.9189342 289.7751299 309.2498297 B-Linoleic_acid 213896.6307 159002.084 155584.2074 211539.3349 147096.6401 298838.8697 197314.376 171803.0227 204887.6285 114667.2716 109228.3314 219594.0236 278594.7014 233288.1142 327504.8989 444924.2049 238533.1055 368403.3269 178666.8421 233841.2699 173363.3601 191163.0977 338561.6564 161410.6549 275161.1908 238486.8283 333071.0663 320474.9938 248510.8994 351551.7648 318865.4429 144508.7547 305030.5371 270859.0491 532841.4618 136696.3069 345777.0297 249321.4145 392527.6755 266071.2543 339837.9425 218858.3048 336325.1062 306672.3711 428137.0997 177068.5678 241964.8981 121924.5646 304942.9181 109171.4493 201051.7107 112275.7404 156772.5309 136647.8587 244608.8221 114314.0622 389289.5351 99647.05668 266228.625 260726.4616 254177.977 224872.4694 156781.3709 95682.33417 112452.3841 564756.5955 147026.2012 136391.8112 445364.6741 203928.9419 250385.041 309357.9025 104562.516 966838.2448 287594.0358 131120.8466 148695.1331 337369.2878 139713.3694 210344.6391 343093.4818 216763.8349 223606.5227 170797.356 4447.814218 157760.049 319221.9946 143770.2246 340334.388 79844.27906 113540.8281 75318.37301 92807.33638 63709.38127 130231.1619 77751.13673 119916.3862 72844.39241 103692.6979 140060.2689 104036.8487 54525.23473 82251.58485 43113.00318 123215.7037 112723.3784 128014.7126 143559.0955 120736.7721 104847.9886 151048.2588 108478.603 209411.9415 176629.6136 113507.3736 232579.0091 274114.6978 140207.8156 270852.6925 181325.7598 159343.0174 135892.6794 113988.1382 176233.5942 233442.7517 144732.8002 262149.2168 119809.1973 231036.5548 216363.8954 182244.7602 271838.5082 162623.0307 81547.64942 78326.3612 146990.5133 102518.0249 177182.8161 72523.15384 84050.80513 136339.2554 77906.10217 99934.98128 92867.84194 124198.4114 86593.77205 187796.7773 52438.54279 45994.77934 76418.81192 84909.4561 66417.12196 97467.10746 121549.0365 62224.99603 75330.99265 93611.19812 67708.43294 69299.16364 207180.5141 116693.9422 240557.9331 116975.4632 138610.822 167698.672 265363.7266 186883.7276 144700.314 90493.9126 258973.5186 160838.6634 128765.5656 118385.1614 114214.6513 101209.5337 117551.1563 110289.4277 136755.5786 149445.0178 106370.0765 150906.6002 139086.9167 190277.2083 86901.06342 73793.03642 114308.2522 112640.2418 56256.79625 60612.88379 63718.26812 127058.2438 138215.3649 120664.1467 89070.75137 115868.6052 92071.805 159774.9902 92662.3667 102585.262 104555.9095 74614.57815 129823.5694 162403.2959 81149.83399 105103.3801 103229.4416 114942.639 127873.8818 113800.7958 109703.9263 87812.67628 129266.0561 135199.8643 68981.82965 153634.7228 88762.74155 100393.5365 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1231.322772 3751.87509 2522.790613 3240.025482 1706.50592 2891.109869 1830.118268 812.3095476 2865.799289 4509.543708 1669.152469 2279.537539 1688.318895 3436.198035 6839.752903 1547.1384 1181.02808 1936.562919 1250.951888 3209.998747 1623.006724 1529.946042 630.6870841 2710.355244 551.8100966 621.2770866 2021.089663 1521.843086 586.5835192 3054.631034 702.1504544 2890.130468 393.2563952 726.8809096 1193.299947 413.2718697 2359.57595 2881.913601 216.9196423 918.7894292 212.9820757 1333.342505 628.5427367 1945.504354 1267.270536 2263.292875 1928.617325 1703.80376 778.7821012 692.8543681 624.9222423 193.6618113 3045.764757 3080.15417 1418.532752 3280.543783 1195.625143 1669.225278 3601.884686 1920.733971 18343.71497 5066.091098 382.4301421 1905.336007 2479.57485 750.3090201 551.9498433 2859.390908 1240.97351 2001.521612 2621.779371 1045.715769 761.1059147 3207.072289 2665.541202 2334.888946 1442.762938 1165.887296 188.555775 225.5475284 458.7400193 255.0246714 977.7918631 509.4739156 440.6281522 301.2643632 321.7765841 1205.442637 133.2936183 512.8055221 272.2428647 441.7966218 275.6754646 250.3989407 312.3278334 345.1518493 623.3333584 233.9675561 182.0428777 809.3866119 208.8730552 1015.165278 476.2036499 654.8890856 325.2655524 465.5136203 855.9292838 606.2349479 245.7673383 767.8067066 786.9144152 427.9018146 645.8936306 718.341099 381.5376426 1635.296207 1087.483568 922.0353087 2631.25748 370.5411099 1602.023593 2295.044717 366.0516028 1405.176968 416.6340091 672.7519923 147.447955 423.19388 550.9540018 174.1677444 382.8763918 866.5230174 200.2569125 1180.095653 287.0090332 645.3217264 586.0139637 202.088885 897.0288834 641.3571499 595.2149284 934.5690543 640.160496 585.7943618 202.6678353 1163.182788 1134.910519 644.9330194 1144.861888 664.1088398 570.2472563 133.7422167 820.694345 523.5648378 1027.066053 1354.327986 631.1967483 223.7625295 1244.437817 271.607546 510.7950496 1544.226033 1947.916451 983.1081065 910.2895463 791.9041918 658.165498 1859.677614 351.1809179 1093.305953 340.82675 333.1606495 455.0009163 286.9573622 812.7111723 310.9503309 663.4970079 866.0391887 198.1196112 856.6515037 239.4975297 638.4400859 394.0079737 198.239394 482.4628895 570.9741736 691.0329646 1228.659366 812.5643796 804.4097531 345.5276385 550.8048604 485.2566476 514.7983794 1180.941178 535.4550442 1199.653134 1561.888127 1168.111499 447.3536052 1212.784619 1499.328613 697.9028617 726.9783799 339.5760764 490.1360361 533.6524302 471.3230871 1087.651499 532.5332829 392.7608232 804.436763 859.2961205 827.3176304 363.5984037 511.3152828 DL-P-Hydroxyphenyl_lactic_acid 9727.625964 8190.223034 8219.226093 9355.561692 8989.202417 8355.883973 7646.176643 10655.06871 9885.099471 12174.59882 7131.413071 9243.058862 9399.629343 8925.112385 8112.176829 10626.17189 10271.84942 7556.681489 11621.50092 7998.229158 8230.721078 10147.65329 9525.181779 8269.49452 7951.78531 8667.831526 6969.013648 7535.02658 7211.1343 29871.89354 10728.07214 10381.80253 8267.961147 12103.31291 8480.561714 7160.876496 9395.638324 5461.764692 8051.521836 8921.330302 8401.095457 6659.084623 9690.315069 8105.806072 6090.652998 8921.840245 18794.19466 13086.59098 13550.66825 15632.93206 21850.10072 12298.26729 13210.61712 10689.16767 17033.63816 12421.34792 22237.34291 23498.68205 29438.22875 22159.48085 16279.83485 18298.83375 13925.00602 14711.43158 12123.88065 27492.95924 19355.43749 22036.19483 26106.7653 18536.48885 25367.62642 23432.72576 17222.06243 89029.97465 18111.54977 19148.70836 16898.12765 26020.83975 17514.57545 22710.04673 39074.78724 21623.5794 24263.09503 21584.99718 19864.66605 18376.50458 39310.68232 19564.23473 32187.64437 22215.49323 15796.22035 7050.108892 4196.632847 4497.273102 7783.061165 6837.38438 5288.426264 12840.54659 6599.364527 7983.217685 6554.53196 4336.144997 3929.422247 4973.840459 5247.733449 6747.467815 5678.901635 5262.362465 7086.87443 8473.992645 5356.935809 5779.459737 12117.66925 4714.937695 5190.598485 3960.408421 10254.72026 4438.633096 10872.85371 7053.975966 7031.832361 5706.403192 5885.609516 15226.84674 4625.605441 7522.306313 13597.66454 7092.108438 6868.073087 12697.96769 14524.90897 16595.93632 6491.886769 5934.680992 8166.124643 5312.280306 6262.879466 6706.211938 7207.646142 6877.963874 6556.915239 7559.493263 5710.365881 8000.679722 6845.872821 5885.949479 9188.955231 4946.74969 5136.778157 6900.80157 6276.361107 6054.755073 8478.897314 6302.424906 7559.634914 9127.120993 5485.484165 8624.068425 7038.610365 7514.281779 5900.376642 11661.15968 9383.78567 9344.049 5292.247301 7503.325068 7852.119609 7907.657456 8550.948136 7445.793482 7438.820707 9611.84037 6453.959692 7508.258067 8078.945485 11055.1799 8346.680194 8311.625093 7284.417487 7488.589815 6910.749017 6188.321419 9263.070618 4721.871516 5739.39727 8503.654382 5492.708371 3464.505691 6172.385672 5848.716492 7629.228091 6006.721191 4999.666993 4673.982826 6082.083108 6476.0006 7114.602629 8277.851934 6778.659383 8652.947539 7119.585206 6555.070234 7804.524845 8955.967532 6582.70636 6101.36182 7664.336311 6870.622807 8003.317973 6994.280659 6344.923772 7485.547858 7344.686481 5491.702648 5159.71855 7592.533378 7418.532731 6168.677955 7184.31975 6973.737711 6062.251956 5646.856619 8195.17728 6630.669416 5086.977178 8122.219891 6760.021642 7967.058837 7433.735433 Erucic_acid 41985.04522 47483.46854 30782.24677 53852.92165 39427.70587 53799.72109 45711.27528 39386.60342 40623.34224 33700.43969 29562.56297 57137.12114 33222.73696 64122.98253 60127.36168 71361.69365 38873.51255 60648.06712 47614.93823 33544.39509 29424.4728 48509.46769 61453.58861 24953.86098 44191.92498 44625.38746 39612.6669 53031.91404 48060.76931 29686.48571 59035.39438 24450.54192 55986.68529 58675.6634 61657.9783 30268.45937 54616.10991 37161.24176 49591.19658 40848.92558 56160.8128 38910.5575 61852.22423 54877.46686 56792.86274 40314.27588 33359.35291 16499.60471 37374.68643 18369.53633 28180.72127 20011.99787 30715.69029 28169.60373 31202.989 27639.06562 48772.31915 28509.92634 27521.22912 29101.18491 16790.90599 32197.31262 33733.06197 13734.42679 16380.98376 69556.83077 28862.10362 22475.17622 54001.35167 32295.28766 33814.36746 35964.78713 16215.53253 23888.57173 32558.42315 23220.71437 29846.69601 57054.22646 15928.51191 27510.78106 60024.65965 28042.59729 26335.31046 20649.74183 25331.45172 22704.62772 70335.32256 18229.15367 45578.96028 18406.29726 21355.53679 21168.56729 18734.76522 22148.34478 37293.1713 33199.80533 19625.62941 24355.90755 28642.96493 43476.73015 8483.605513 23346.56443 15665.76188 11928.77946 28816.70022 26908.15475 22780.06336 17680.55969 27478.40223 23866.74239 23064.58186 21672.70462 26615.1696 29557.84275 24724.54474 37545.09457 43358.29855 24727.07391 22906.07572 23781.87307 30385.153 23458.88949 24023.2536 30381.89348 23034.88098 16653.53264 39728.79925 16028.12347 24913.35363 44338.3736 23743.7123 23043.78042 25974.0241 21096.11391 20174.60208 12990.30877 25158.46031 38599.15808 21930.80881 17741.67237 32425.23579 26752.98927 22209.75501 22810.89358 25014.55439 26091.61039 37373.95608 25253.02705 23388.78945 21011.0079 25702.41521 33613.48075 30156.20869 27534.60534 27527.81579 28903.45628 25520.05774 24491.64437 25006.70313 34083.77854 24720.71041 53339.4115 23372.74205 34555.22596 28549.68306 56004.17987 26969.90986 43107.6534 26390.01905 49810.83569 58146.0788 24625.67028 25394.61343 22755.81305 34596.28784 31255.5674 24359.20089 29529.00746 22886.5321 25741.9961 34734.5065 22302.59732 32408.20782 18394.15857 21799.18358 28783.6519 18993.53213 16029.42864 21426.82026 46752.59824 23415.48779 26227.23225 16780.80282 21132.23916 25772.35971 20479.00232 23437.85136 21032.67493 24049.3095 23876.06787 18361.08321 24559.95911 28115.93656 17437.31271 20299.41748 19398.6868 19169.27588 18986.05281 19325.55717 36541.91208 17158.73844 24287.47109 18306.00268 10032.14951 22870.47794 17811.33961 20808.70106 19888.04807 18469.65508 21796.87757 24257.95279 15383.62378 19814.94549 24184.07929 15673.1871 29082.35136 21707.50442 18160.96066 20081.3946 FA_19:2 1086537.016 992318.8744 931504.2709 1175405.94 988054.8622 1061440.347 975222.766 1164458.408 871210.1189 952151.697 1030142.276 975516.201 865765.139 913554.5762 1061254.253 1075565.822 1052229.08 923739.3931 1097928.476 887196.0651 949854.6697 960949.4945 1110605.548 853774.7983 977805.2091 971499.4149 923987.1946 999284.6454 985891.8584 1663450.859 868224.0949 915777.4177 1056791.561 1011721.719 959260.6614 808802.696 1123696.198 922840.1373 976893.5111 1051768.79 913281.6745 844742.7564 1051082.022 1039773.271 1047135.287 925946.4481 1548319.905 943160.9013 894340.5941 916099.1173 1596230.348 907846.4758 919981.2325 899896.7628 1557303.365 809088.3995 1534586.827 1606292.469 1510701.836 1583780.149 887381.2599 895352.7289 884595.1385 854260.4763 873375.2083 1519087.601 896146.046 862709.3883 1588235.973 875981.7088 1544455.626 918895.5593 901323.9497 3307028.37 1031321.662 869088.3974 911734.0211 1603172.637 835892.4211 860930.1154 1599502.147 871473.9946 1546316.241 933891.9897 875585.0682 855145.5997 1556835.919 869111.9873 1525523.572 883160.2201 863573.3671 711904.8389 544640.4602 661781.2995 898302.4331 781563.5205 567307.5528 909660.5581 852246.3476 884817.8038 577526.6397 578942.8228 639656.558 864849.9889 670476.4307 694170.6175 554159.9062 638735.7262 762969.3478 806651.1276 566503.3757 607183.6686 869496.1137 651794.4073 574594.2324 574159.2223 889290.3849 632566.4008 867594.0009 726206.2672 645214.9203 560171.6902 683393.6086 884585.2135 514973.1467 575806.7731 855970.9933 673835.9369 674505.9107 885939.0776 877497.5015 914450.1281 545801.5419 645788.7726 598063.4883 561117.9818 793242.8777 887733.8134 652939.5227 604715.9385 850009.9492 984889.5408 598283.9241 780931.269 787537.9059 609628.5641 940287.1449 602537.3999 980792.1681 655033.411 637709.2433 727241.9559 910628.2461 783412.9157 852661.7234 699526.7038 605499.6183 831862.4736 832481.0603 927729.4967 615715.3969 933953.2658 610039.0134 747806.4218 602341.8486 879377.7865 589950.9836 790317.9141 788927.9819 633730.2514 886317.7381 655181.8186 598863.2783 596381.164 835068.9334 891379.994 588770.2677 775458.6717 623253.7616 600397.8422 652707.9033 610688.9933 883228.1129 559213.0642 733786.5256 692011.4974 645150.8752 605759.2866 695181.7453 683246.6754 814793.1196 632652.2736 564897.6825 643833.0072 755202.8158 716343.7253 618621.3736 778583.2142 685822.7895 730022.5754 792650.0025 668720.6758 659039.2652 673595.1477 635001.2633 726931.8714 674651.1898 732794.8881 676342.8277 787658.6961 703030.6979 781827.5041 727339.7675 537932.9191 602117.6729 740677.7153 719392.4638 573769.8097 703673.0543 646369.7809 702169.6319 586298.1504 639491.1413 652707.5077 606771.4933 625631.6273 685253.0367 651955.0054 669026.5529 FA_20:0 7916493.48 8104079.041 6968370.537 6721037.564 6442888.807 7093882.154 6082794.796 7587947.93 17024768.54 6107618.587 12871271.14 15458905.31 5756019.612 13932793.34 9828420.902 7201382.42 8985670.819 9457752.83 26004759.92 7307746.044 10924479.17 8007757.382 6785190.774 7877534.594 8828016.283 10861353.44 7288570.698 8661863.185 11986454.94 10514501.62 13301175.68 9724292.756 7526204.28 7873357.706 21218929.92 10660367.77 5399217.245 10487258.79 5814636.46 7138998.239 14479352.92 10577551.86 8351428.304 5813809.082 8260377.75 9517454.048 65874676.36 24238506.21 56478404.23 63886761.03 37074803.51 19611198.36 46770196.61 33169319.37 31202236.2 37463444.76 45950553.93 46239218.39 58652052.58 72355218.43 24718679.17 36145552 42774521.14 31116137.89 35528911.04 38814481.54 32308023.65 20599854.23 35883399.76 15767660.64 50850511.97 45532280.22 19051563.98 32840381.28 17958568.69 33233056.94 22069109.75 32827856.33 28368124.76 15655186.62 50485534.65 31059228.92 49323012.93 20775484.25 50612672.1 37749562.78 43493094.52 27378401.66 29413852 34007270.02 30163233.26 12355281.65 5681886.192 10347843.17 10011313.16 11728030.52 7110445.044 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17571234.16 10343934.94 5589116.937 4766655.502 4945616.923 7550639.182 4829647.027 5914247.697 9362612.186 7972452.529 5156838.088 4987667.72 5727067.802 7560923.063 5967588.578 5337112.423 6265224.253 20112724.04 11207951.92 6583016.677 6206664.419 11694354.29 5041559.539 5034220.473 4702128.841 6289269.414 6196780.976 7052167.608 5301714.936 6282979.342 4787553.074 7549047.274 6554268.855 5864770.672 4360292.229 11351770.77 4351170.398 5014680.065 4880309.078 7187563.762 3701138.639 5746144.071 5081807.876 3905378.386 7830366.109 4805648.548 4360529.283 6899757.797 FA20:5 12534214.12 10660265.57 8134135.277 10966005.61 8312230.177 17681848.4 10999006.15 9604914.381 11864095.69 7317891.853 9097386.883 15404761.35 19809373.12 11430508.45 23100557.89 21253718.88 9443371.464 18903737.74 7877004.902 12453474.65 10965826.36 9951599.076 17660986.01 13239032.15 20300260.12 17678974.71 17822570.96 20817287.42 15772811.55 19006333.98 20908631.42 12174224.54 19260120.72 15456765.69 30913327.6 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13310127.57 9737598.764 10861113.13 6158810.355 7252810.089 11954664.74 11691588.02 8831002.403 18068290.06 6871283.898 11030456.18 16013384.64 13636296.91 16119722.96 7540289.836 6767296.427 4419586.125 8075213.136 7702706.2 11240683.47 5040543.82 6346020.177 7622372.575 4858895.091 7578708.459 6670514.867 7304904.915 6319231.535 9219201.436 5298971.359 4230671.324 4993344.245 5460046.917 5008585.873 5423209.252 7626399.31 2975446.985 4441748.022 6153904.501 5381412.723 4748285.075 10145711.54 5905148.744 9928964.519 6085237.966 6054987.587 5921476.48 10281437.76 8952732.755 8177222.313 5280784.296 10508141.22 7289751.063 6273239.376 6216655.757 5006719.395 3092454.187 6798911.159 5124394.412 5933285.589 7040317.012 6172969.697 7437234.864 7244901.598 8027120.758 6987765.922 7726276.955 7820129.723 8616657.889 5348484.184 7728841.205 6137297.287 8916312.644 11154168.28 7429247.597 9479718.716 8056782.592 7891288.019 9966692.027 7744397.077 6311551.361 6311946.107 5181330.615 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18581307.34 11508493.72 11373074.44 15809217.48 20361501.38 15843096.61 31678780.91 10026467.69 20838129.6 22801109.8 15145572.17 30179330.33 14735715.9 7448295.147 8652258.429 12738415.74 10056675.04 14673077.94 6351127.573 6631480.542 10383007.69 6603925.695 8953867.648 7685927.012 10351441.79 7831235.158 13955205.32 6680942.403 3490657.487 6308869.264 6746669.384 6151666.949 7918367.455 11676038.19 4300980.179 6836194.353 8285583.538 6643033.813 4967009.699 15369337.23 10030874.42 15943165.37 11578510.28 10537804.12 12870877.1 18491233.45 15130628.77 11928555.55 8330101.187 18622376.66 12089723.03 11212125.51 10722585.93 9289298.538 7577318.574 10708517.94 10464020.6 12805965.7 14120879.9 9498283.524 13281263.43 10662098.18 14474978.83 8528109.43 9033740.12 11509129.93 12053833.4 5207188.798 8349551.537 7076742.263 13249762.56 13697678.87 10074532.7 9617642.429 12024745.55 9615098.907 15085651.89 10171611.03 7822258.073 8711402.779 7249291.678 13105276.82 14687521.27 8935831.669 8635873.045 8167814.798 11420154.02 13577802.38 10541261.5 10004321.04 8952400.716 12537805.18 11970012.54 7041226.939 12917102.07 8697233.084 9457299.129 11502900.97 6298405.205 12423895.75 14219073.57 12469182.2 9741176.297 20654970.62 9266895.47 13402468.17 13420246.25 11867752.29 16323814.27 FFA22:6 31589019.25 30983723.97 21479492.91 34158507.91 25269264.08 48687888.99 30816743.64 32116210.23 31048331.16 21371544.57 22845262.53 38038649.89 43127104.69 36274610.55 63111984.85 69107281.99 29822005.81 52363910.96 25942833.51 33031831 34186191.3 32118783.04 52973161.54 27010350.47 46414456.63 43704947.46 54119790.98 61610608.09 44269890.47 95991120.59 51235669.65 29928679.17 50421770.71 48014871.42 73913156.91 25901077.43 69286205.25 50452221.45 60034380.33 59317524.59 67214369.92 37226039.21 52966664.11 53290026.9 76541800.95 40499598.75 42967065.06 25748524.28 61106966.11 20585298.55 58383907.17 24185064.4 20598955.6 26469282.43 40446173.94 25379848.34 71641144.46 28457379.09 45708499.51 54807598.92 44313886.85 38763257.37 31210284.9 21666510.65 33142979.31 99821464.9 27928601.29 26862729.46 89085298.48 39693253.31 44733586.26 60184447.5 20275187.18 246992622 53770817.33 29868470.34 27590588.7 67903965.74 297178.5283 49135435.21 68812380.32 60108649.45 47894747.1 39657739.19 33360052.39 41123422.08 74876977.87 31253098.56 95044788.59 25231554.92 24773020.65 16272183.33 17998843.63 16399625.04 28523998.52 15548749.64 24599451.49 20857759.3 21131933.29 34341585.58 16226505.69 14269869.71 17613080.66 9389884.092 23343556.29 24296396.81 27118290.97 27928735.77 22660253.12 27259884.37 30517115.03 22410663.51 38025445.04 28978259.13 18535013.67 40648479.72 65320656.82 19957334.08 51512379.68 31286499.46 35114831.3 26474941.84 22913107.98 34216587.42 41941032.81 29156473.2 62899646.98 21770445.37 43218214.29 45506939.26 29243650.78 57542062.41 30663463.23 15979867.1 18810727.05 27329098.6 22518736.32 33890281.88 15293438.82 15967221.29 24409369.57 18533114.15 19096771.29 18467561.44 23266166.63 17684758.9 35640956.64 15787501.57 10414538.86 16188381.54 17779623.16 13620977.81 20807559.05 26817676.8 11214061.55 17300937.02 19909301.46 16623709.55 12468768.81 33932772.39 22166252.17 33377509.37 24568500.02 27328523.67 26203516.27 41056727.57 31937881.26 29526890.02 20927960.83 41356474.56 28792821.68 22087817.55 23422455.51 21959473.18 18544820.75 22491833.73 19207215.41 24851527.74 31483848.5 19918018.3 27776436.57 22208076.79 33060053.84 18997717.59 20023384.9 26590790.33 26689772.44 14014558.02 19924470.25 18095526.46 28307726.03 31705312.75 23758675.64 21733589.68 26425450.35 21752623.46 32670126.89 22247793.63 18829660.73 17859129.74 17605044.5 29730105.85 33693489.71 20424897.69 21588249.02 21525683.68 25073766.91 28681812.21 24561528.2 22795027.46 20785918.07 29928584.29 26442992.85 16024352.67 26551967.87 20140891.59 22668739.73 22758917.74 15512636.44 27774804.7 29396761.02 25796060.1 19610279.76 37044731.81 22422900 28895328.01 26471197.19 24267101.15 34709394.34 GHDCA 991.3833775 4159.916592 743.3265563 10310.78523 2087.591684 1064.396663 1084.849189 3464.594918 1230.964432 6007.997547 11427.49804 5704.230601 7525.841602 2320.895412 1954.498912 3039.693614 2529.334446 557.3152811 2655.309042 14678.30306 4403.075081 1551.964214 3728.108089 1162.036148 2920.372434 934.0190719 1842.286735 2122.678055 840.1802285 3943.13327 545.2773689 2002.687252 2308.967575 1245.989655 1055.196237 904.1123359 1645.595138 1189.505948 1526.83962 2721.256131 2034.388821 1177.027736 4931.156306 947.9985828 1937.229385 2395.700473 365.4333451 6717.928605 7867.621077 15188.19441 4697.987113 279.6819485 5035.397226 534.2759952 5146.199833 2581.64448 10009.97196 18637.44 20292.15301 23043.94575 13116.16915 6282.460111 2848.251978 9334.03264 429.7170806 13062.951 26780.57853 7232.250468 24200.29775 11641.93004 8161.60053 18675.87448 8827.639226 78593.23265 18531.70695 1757.522955 20076.73645 18066.36536 4243.744736 6602.692426 27575.49657 3859.534449 6787.624355 227.9559234 21112.47695 252.3344538 20040.06928 7582.832876 1033.997648 10181.53896 227.2220908 129.3593987 3899.956395 6063.472233 1845.845823 12568.41816 3753.935938 510.600721 862.0698434 344.662825 8111.115905 346.3567553 1359.253658 1323.023732 5490.492684 3627.099089 1723.054226 2291.24246 2205.58585 2711.135357 198.8349998 171.1817414 12663.22321 5162.047559 5982.554959 1587.983164 1161.097454 387.784663 2217.302711 2927.888103 4159.231682 974.1291386 4680.73899 9878.193972 3816.226095 4639.696344 9108.901972 4224.949448 8281.780906 321.6021356 9662.902776 14972.07766 4332.614921 7375.91043 12589.20702 7084.915229 9262.710227 299.9632469 10002.8813 780.5440995 5053.314972 11607.49495 1011.450641 153.5238946 864.9960008 176.7894455 1333.367714 314.9212014 1295.752678 12956.3557 2413.13817 1325.696105 13643.35449 4888.477825 10895.24926 9839.946005 10154.81523 263.3450004 18257.26579 4658.990026 9901.529848 11619.78664 5090.211463 8812.687387 2928.092964 5188.202576 5334.914058 15772.25178 15539.58404 7074.442826 1494.31249 12496.01946 8455.035725 7120.460245 10950.69643 2703.781743 4934.871333 7387.504985 5898.246767 7477.790855 12913.7873 4867.398484 11254.57039 1915.422326 1456.88397 7566.969862 669.2767319 11622.5538 840.6663926 2605.964915 16538.40359 198.8869796 7246.465417 300.1925696 4354.840876 406.3200513 3213.269484 14181.96927 6915.889121 7297.047887 12837.01312 4987.211943 12936.14473 3571.492924 11216.96759 6570.214218 6066.734731 7687.877955 7779.73545 9060.997992 3603.139455 13433.99817 8594.375247 8897.769161 19276.0517 13248.35687 13113.69553 3607.808465 7322.881852 5072.74319 8118.179044 4520.57391 4630.116771 4585.936991 10559.32516 7164.80208 8731.66921 7494.454971 5466.875505 gluconic_acid 49.01256062 56.81372073 44.60899203 54.64545991 61.6250221 36.63312823 30.43959636 48.83458635 38.55664035 59.80698631 33.08740653 59.17767147 49.66054504 61.20298051 43.99371344 54.80858028 62.84876556 41.40559143 61.02432487 53.17465111 67.45579172 40.71617961 29.32541746 40.08604712 31.6394918 52.23558472 51.1204519 32.81567552 58.87977579 308.756742 38.25697311 31.7159417 52.06401534 101.7868378 54.46339741 42.39603323 48.6867287 28.17471705 46.95727122 45.49790946 43.15017536 49.14610946 40.34169776 48.61327684 36.22280623 77.08970525 16.05706764 23.49682823 26.52838691 22.07139878 20.80527401 20.6508752 30.98496621 22.11132715 31.70599368 22.5871971 18.60635147 32.61099148 17.53169213 18.15487463 13.04908443 30.38876603 27.45437096 24.84171956 23.83887679 21.47301821 46.57447664 27.88554293 18.35424397 34.30856077 28.65631052 22.04918606 17.49912257 196.8137875 43.22948702 29.98430383 27.12785767 35.89874589 17.51029706 37.85400992 27.83171457 25.47198833 19.58616388 39.11495627 27.21575461 24.07681177 26.90136974 27.46445526 47.49923422 29.98675677 47.9845071 6.53857847 7.186971716 9.943665071 10.33654396 14.39738262 4.491601808 12.45779012 9.878525943 13.02319231 8.693211849 4.277651115 9.378399164 3.006484196 7.859349244 7.804021868 7.047426806 1.460451959 9.88315927 9.083365247 6.772016392 5.348903598 10.42852913 4.415015637 7.582030989 5.409545673 11.10622135 8.538813037 12.56871743 11.69588036 4.219461978 4.875077764 3.770029248 11.92332222 5.244653738 5.834721572 14.68451262 8.148795914 11.60416774 14.10071341 10.72001991 11.37522687 9.842958344 10.31514889 8.699480469 11.36405238 10.99284111 8.360838767 3.969534863 3.810638998 6.625657765 7.718441591 5.446203467 6.496469703 3.617674551 3.705162669 9.911231782 5.040242248 6.665177319 3.691262688 1.774291734 3.018748885 11.23581824 5.44157014 12.26877763 8.602861971 7.0283484 5.028795204 4.827654298 6.627838154 5.264277241 12.02471031 4.281603071 12.03874657 5.302297778 7.963735379 4.749024012 6.148425073 5.046374592 9.024767286 7.779492489 4.709777005 7.224038333 7.341234254 14.65834795 5.556585672 7.169664877 5.59746797 6.689706698 9.016727101 5.073356909 6.259761197 6.600174466 3.415307176 7.156446267 2.81951582 3.690581316 5.138087214 5.010534444 5.012306011 4.335703979 0.967956543 3.689627396 4.287462867 8.555983602 5.093116686 4.998133481 5.295075239 7.384978313 5.921800867 8.038686258 4.669576079 9.165538666 6.815351627 9.48346667 6.91087993 9.244032678 8.02110687 5.749686393 5.797927504 10.82903937 5.582750342 3.897854567 1.355793276 8.431428868 6.883761339 3.914207486 9.557599904 12.34631773 6.526858878 5.436800538 2.480192746 10.4482889 9.720583999 6.007653693 5.089573554 6.157419178 7.628773084 7.741063129 Heneicosanoic_acid 16493979.07 21567557.34 16681258.09 16353046.43 17583941.2 15697849.45 13701904.44 18925254.91 39996796.21 14237106.54 27306124.23 28068169.41 13720856.78 29973262.41 22391089.59 18132680.88 22949047.06 23787207.13 53206260.06 17200219.83 28814945.97 19496613.05 14677585.04 18714786.24 30759679.18 22965001.7 18018558.17 19211538.45 31777978.01 23227536.24 32183734.95 24176043.22 16484536.37 19813667.54 40952705.41 27081290.93 13057533.07 26093554.09 12924760.1 16672001.83 29858888.98 20971285.06 22202121.7 13119546.13 19346053.3 24069883.5 191595277.7 62889349.33 155666303 118992689 102617900.1 61728502.25 105116008 86794660.48 91313971.74 80703387.34 132249958.5 130076738 160268948.4 190959953.2 63234612.42 88753704.68 97843147.7 80307258.32 91686482.33 118607915.1 82170822.9 44941171.22 99988721.04 40262061.96 136263103.5 111107719.3 47374519.67 85356546.45 41678828.08 70942818.68 48826148.97 91990270.83 69893377.83 41659922.41 142375154.8 65979656.7 115154352.4 43135072.71 103956796.6 94249879.9 121098953.5 66163053.28 78483158.75 77327303.17 67751262.46 36135536.55 18006651.54 31917974.94 33592775.07 37102097.6 22783265.76 36659507.81 29678785.22 36940617.28 34870178.3 23800275.23 15843269.72 74121346.1 18582134.23 31200320.58 19837593.37 24158550.12 34776518.74 26053813.2 25557296.35 28586981.75 93695807.94 24970605.33 19134689.43 19419246.03 39159730.87 29619797.48 78161853.21 20538827.89 18111805.95 18900847.1 30228003.41 54701184.01 14997107.76 27325773.03 53434677.61 17516698.21 19069532.56 43519531.07 41506740.73 36198013.37 29915579.39 15092569.78 21150374.31 19428354.31 20177316.26 15738795.4 21348182.99 47401373.81 56083948.37 23877544.21 18045705.59 21881774.4 17603646.08 16294534.32 15258920.04 15228406.95 24398370.63 22678803.31 15579807.25 12355939.17 15976608.78 36819466.88 20575028.54 16149637.99 21056585.6 15183322.74 21812676.34 18877483.48 17397382.19 30693280.21 18516298.29 34826889.18 13854313.93 35734614.14 17105411.5 20246848.81 48089805.07 20835792.75 43401322.89 40577630.2 46188240.24 35510204.09 52541189.76 22612418.05 68972077.21 25613105.07 17874585.68 80288525.79 18929668.04 57733323.11 28571781.28 16592432.24 14379430.68 14938730.32 19254543.09 14218222.77 17871235.15 27015804.55 23496138.19 14624822.3 14817774.76 16695603.07 20605740.35 18621021.48 16031041.56 21331058.9 45987285.08 32612111.16 19655195.14 18156655.42 29943401.79 16011380.28 14369375.63 13557491.11 18445692.08 17702839.71 21268317.66 15094098.2 17391696.47 14075493.4 19739703.03 19714326.76 18589167.85 12241723.74 34410353.91 13222875.16 15462027.84 13652035.63 25049873.46 10577135.23 16958630.63 15706250.01 11430453.21 23571091.83 14493905.62 12284378.21 18198653.34 indo-3-lactic_acid 9334.937201 8215.626751 7313.135635 9079.184757 9199.529444 6834.218417 9277.207581 8996.292028 6586.887373 8011.69578 7844.024794 11440.894 9347.689205 8858.601417 5824.444954 9401.795884 8297.278134 4383.355642 7051.195271 7247.283195 5695.215712 5364.712167 9856.196528 7010.672863 6901.497934 7459.318178 5241.901245 7931.589025 5030.320012 24117.19012 8785.350276 12023.00042 14462.0516 8694.20307 10764.36774 4705.442489 6980.478543 3238.41893 6504.728167 6028.667453 6521.660308 4748.325335 5970.723889 9612.189845 4563.698697 5020.109475 6883.486669 6047.656749 3500.371049 6551.233954 8025.952445 7366.635747 4896.195919 7612.252888 7213.360137 5988.568231 5020.490342 14172.496 10075.2705 8490.833995 7740.48059 5592.938715 4689.24387 3117.549962 5827.945643 6792.579268 12751.09894 21087.41833 12057.27613 14194.32299 6099.692166 20912.27812 12043.05238 14705.81378 8219.560029 16524.27448 4931.508438 8457.515153 7101.356915 16354.84257 32972.9656 12623.87043 15942.71821 16394.34463 17658.01557 10132.81909 23111.53332 15862.76897 20053.06482 23062.38027 5761.869854 2960.028386 1272.327447 2058.508247 4462.047075 2993.163848 1853.933093 5318.516715 2925.496411 3966.721995 2128.954606 2012.73128 1575.234564 2126.963281 1551.641946 1530.097078 1271.300045 1495.62858 1915.781724 1655.456519 1480.259876 1254.264458 3918.662175 1083.624118 1318.821479 1054.118651 3729.277046 2198.385319 2126.342608 2863.767683 1190.988751 1544.440731 1137.225324 3561.770632 1186.517086 1503.868952 2388.630926 1563.100882 1355.076762 3128.588063 2980.788009 3885.698338 1523.589418 1291.340252 1525.916941 1073.780342 1492.433526 3753.281095 3176.32109 2988.087968 4518.528296 5217.955972 2933.165481 3058.931651 2605.473771 2483.198885 3107.492242 2654.509271 4258.325346 3234.024849 1989.677048 2300.368437 2736.355789 2596.93952 3053.625369 2280.248295 2081.094623 2385.960152 3179.612536 5439.978144 1784.241416 3085.34786 2056.053769 2297.013513 1435.616107 2560.479698 2044.239827 1980.084833 3073.1507 2034.421912 4087.043173 3627.190482 1769.559214 1994.313286 3150.967548 2142.34374 2354.982938 2197.81872 2059.521543 1441.604188 2097.081649 2672.398282 2589.947548 1613.77035 2980.900859 2246.590904 2596.539845 1925.2846 2544.596117 2969.630006 3021.357438 2516.435442 1863.292556 2776.114112 2698.292562 3043.294929 2043.896576 2411.680455 3156.515986 3559.957986 3045.462582 1863.751008 2622.852608 3208.941676 2582.877991 3269.998008 2927.163293 2227.018552 2569.970819 2359.285329 1376.877893 3414.51837 2606.465907 1262.667051 1821.756853 2646.193666 1713.477668 2335.34946 2373.854682 1401.669538 1981.521314 1668.913833 2838.649244 956.5155075 1763.954351 2250.31494 2648.166183 2542.654164 2010.920984 indoxyl_sulfate 10698359.49 15950852.77 11243008.49 11154737.7 7819222.656 10714144.49 8028929.862 12098518.16 12718443.14 15658560.88 12183981.65 8089276.207 10161992.71 14221466.23 11263588.78 8585697.503 9956853.238 10576727.02 8725583.946 13446858.22 12331517.82 11508415.9 10496403.19 12964951.19 9017324.836 11503469.22 10038372.23 12867623.94 9511097.351 37801017.87 12682850.99 9129689.041 11422660.86 12449345.99 10077513.44 9118790.665 12190737.75 6784211.995 5429738.09 9901126.937 9594692.341 8781309.631 6663085.104 9782078.997 13852200.32 7789080.559 22579565.26 22453325.79 14543773.33 26927558.73 26590718.66 13397455.3 16401333.44 14963920.65 24579274.76 26642616.9 25833354.43 38132760.37 27849525.58 31291364.03 16714839.69 15708621.02 16920841.66 19060716.97 11669763.72 20866030.92 26435430.47 26937937.86 27385715.47 18657285.58 41052445.51 18500494.92 29893007.03 39868342.78 19641371.15 15039663.07 21980511.4 31115454.44 20026635.46 17167547 23414092.56 14216666.01 24271302.48 5918269.534 17907138.73 13666310.24 31063679.65 13335143.47 28249040.04 19685179.17 18674344.14 5167563.806 4797397.246 7246927.857 15281109.25 9547596.177 5151097.355 17160673.86 8254042.753 13515903.75 6513410.036 3807175.743 4930603.154 7116556.571 7703171.301 5173337.907 4947497.654 3146804.615 5946309.172 6354369.1 5053608.265 4258241.499 18129798.16 3643533.963 7738112.39 3693294.046 15882176.96 6619702.426 8058990.607 6158904.413 4337330.78 4011684.585 4686311.402 13121826.28 3795282.321 6188563.694 9175994.214 3917501.241 4168649.892 10189814.75 18447517.95 9766913.798 3865318.217 5400186.745 7036474.335 4073803.06 10724452.36 11011636.22 8912750.178 6194821.103 10630167.48 10260147.87 6227803.482 7291424.347 7707402.311 7882698.628 9529469.222 8099227.657 12602746.85 11294034.87 9571336.745 11072954.1 13941741.35 11225545.64 12530454.65 11780296.23 11212628.49 5893580.441 13174062.72 19205762.52 6918241.878 13176325.42 6707005.98 8406550.472 2646341.35 6368829.336 6671702.441 8781651.775 9180911.11 6330709.145 8240593.07 6791080.832 5183751.621 4215771.04 7114326.731 9334808.695 6714364.279 3973507.41 5544419.025 4310067.734 6942599.043 5389292.554 11574359.62 5291069.703 5758194.292 8584224.563 8435584.418 6355124.646 7552847.884 9107701.527 9555011.089 6761351.646 3852358.981 7605842.453 7533221.898 6918809.123 7575266.77 10482650.62 11383851.21 8667937.211 14220292.86 8031047.213 13351138.06 7498232.934 9950702.41 7528149.068 7111131.136 9453555.475 10318988.78 9621598.597 4285991.791 6997422.48 7469497.072 6265255.509 7161869.158 8946159.498 8151916.759 4347076.452 8353299.788 3242041.834 4914799.205 4018148.388 6074893.067 5204479.727 4630675.067 5318465.298 6983534.78 6774500.661 5683508.076 lactic_acid 115713.0383 85863.23514 86549.19181 70633.06089 165678.354 78626.34916 134777.858 95986.10234 106278.9671 137850.26 111274.1015 101733.1486 96980.17101 95227.01081 122761.6149 90675.00082 110850.7149 88575.59143 147863.3561 98488.47266 113629.8269 139935.3851 60878.49467 125602.5544 96172.22285 137788.7451 109136.4549 65505.27808 88163.18689 32914.83782 70820.66987 125608.133 116672.1844 178123.0371 86241.64266 133953.149 97278.77686 89649.73695 74502.59146 89168.63793 104584.2573 105245.7481 88406.14421 103866.2924 107279.2898 140329.7029 154772.8176 119180.5711 70552.49622 158172.1937 106338.0178 86536.13335 99934.57153 86209.03405 172825.8697 95290.66453 172334.9768 133001.8956 183073.4676 228361.0169 71607.16664 85535.57297 108159.6474 157222.4913 99846.58956 112242.7412 237062.9015 136569.8934 96387.49975 178759.5118 192089.9434 89637.74169 79868.77865 117710.3441 72713.60807 160216.0296 70862.53448 179137.9318 123597.281 115696.3275 95490.94422 138687.4771 142401.0066 145186.135 213100.5481 160986.2784 154911.2697 135964.9267 241268.2621 175827.088 155549.4079 104011.4864 66438.49485 62541.52151 96655.2231 94426.63006 58733.20557 195824.8868 84500.4277 92781.30218 110917.2455 55753.81387 84521.30372 142832.6111 44255.16834 62028.53934 107217.062 74359.89907 126688.47 161887.2618 63420.253 86386.27381 99458.22559 61299.80498 105834.5919 31826.39553 80895.91873 41846.54622 110171.45 50884.9362 80239.33108 56089.48122 93813.67066 171224.7079 44600.37937 66764.21826 91440.67161 49782.37228 62197.34865 95774.65292 108775.5212 76333.81471 63261.1875 108199.248 149294.3952 97300.59099 82197.87427 59926.00292 127319.9289 133397.2015 62353.23709 74213.62936 102998.2678 112499.0572 104739.4327 71486.45097 64851.16703 69517.20086 77632.70576 98394.36172 65747.38485 82916.3645 71095.73548 82128.39178 80579.67646 117739.513 75496.73519 136772.1994 87257.10019 78148.03944 53722.8613 76008.20387 127479.4322 121001.963 54206.78715 75750.42445 76373.47789 64415.68505 80762.1196 72149.31769 70698.07799 94174.07903 59644.78333 85148.48483 95519.88796 118626.5999 128310.2952 73611.17676 74196.89352 114456.6748 59068.09742 77926.8212 50369.30232 82312.41093 83466.63331 108739.773 118912.1223 67045.25023 94110.43782 63775.12028 108641.1216 78270.83145 80542.665 58476.53937 105834.5168 109521.4417 78852.63318 165094.0632 155348.2026 127111.3814 141582.239 92862.49226 87335.60102 172287.0082 166773.9635 73374.7862 107586.2136 86792.07408 86313.95199 78113.90484 121065.2164 90580.6022 76214.2748 119446.3682 65098.05189 107683.9143 99763.17304 123114.706 131474.0563 96821.45574 114006.8961 55494.99628 129552.5621 124521.2542 64079.57992 73285.66599 77054.15614 155327.9145 118568.2746 linolenic_acid 236748241 183987694.3 164328712.1 202927473.2 149781300.3 325232421.1 213095615.8 172923305.7 225997929 121264101.3 142633649.8 223940014.1 330093078.2 221493531.7 359628626.1 450714593.4 227427144 390926564.8 179346384.2 262093691.2 191245712.8 190688125.9 350111566.1 199163580 325027941.2 268118055 302271191.4 339910727.3 244272337.5 306522981.1 354218013.6 184954298.1 299476944.6 257487754.5 579433013.8 142449299.1 376091782.3 294543729.9 417986782 327382830.7 384713755.6 279287992.7 370512034.8 303667213.8 442927937.8 146848588.5 210653332.1 108762448 308407453.8 97727752.49 197316313.5 102885471.8 144320916.5 130150577 210562605.1 101508678.2 333723192.9 85008549.91 228490431.7 200034182.6 255479520.9 197918094.4 143653651.4 92735005.98 103371401 487418375.7 124792781.6 109076131.4 400991345.7 207774029.1 176424304.8 295298105.1 104347072 991474364.7 268728757.6 136965470.3 138263686.3 263577057.3 124490543.3 189244598.6 258868049 222217080.3 176855535.7 162371239.1 129904056.5 149223003.1 241502512.2 140131867.3 250247533.8 69688506.97 89584102.75 74013927.78 96594958.43 66016181.55 128808118 69043232.27 121427753.1 68293134.81 105526807.2 135653937.8 97412402.86 53213626.48 85531836.86 44827216.72 117658465.1 117226111.2 116244152.7 156817233.7 105131359.4 99945391.55 153674500.3 93973393.61 204570227.3 187094595.1 93846171.72 243506121.5 240523651 106868217.8 224994407.2 167927126.3 176104660.4 121554846.4 107166936.7 159170984.8 226296894.5 139736798.2 263242822.5 110135029.8 212342815.7 216318505.4 176069659.1 260689116.8 152906181.4 78592056.17 66060983.33 139222603.5 83616738.2 180326559.5 76055423.49 80418484.15 126918990.9 73830856.61 105481486.2 90106153.69 122891041.9 87706873.54 173973850.8 55589200.46 37403105.47 75964712.49 82311758.91 69465919.68 95374239.51 124608065.3 57665457.85 71374565.2 91470186.57 70233264.67 70705470.78 197365866.7 108305903.2 263868952.9 109394584.8 118247981.6 126737566.4 245773046.7 192350605.5 147949323.5 83295294.59 245836368 153846075.8 124427363.1 114880418.4 106450625.5 78397097.14 119691086.2 100762791 126083726.7 136007205.9 104242135.7 149689474.3 138198900.9 163709620.5 85780270.19 78347305.84 107669942.8 113623670.8 54737369 59046907.83 61523604.56 123158603.6 129677064.4 115503153 81322831.53 114836744.6 92575744.02 169171516.4 96046028.52 97782688.4 99613939.35 62874000.88 117902116 151958514.3 72190597.56 106299979 86570780.63 107652345.2 135225545.1 114611616.8 99324763.4 60361521.06 117775232.7 122477661.8 73974846.34 154433643.9 84556616.57 98286978.59 112059450.8 45724660.78 145234121.5 155851966 126897590.7 101501839.4 195309942.6 96405393.11 174040587.5 129539863.9 119537544.6 185504577.1 LPA14:0 80080.9033 65062.73847 78908.45873 88897.44943 71380.37849 79142.97797 78019.01671 87029.36975 86004.3463 84369.1432 78424.08047 54531.85164 83867.02437 64657.52309 80227.76845 68554.73754 83752.45616 61135.72896 93902.36295 85461.85629 93476.09643 84530.46363 109632.9937 73896.24176 85583.52578 79591.18012 71579.35341 76545.60157 67446.11607 58210.84695 59472.27237 86964.86432 80356.03379 89109.42652 79747.96432 77215.10599 91584.99444 77349.92928 55439.47648 82627.48405 69853.77954 75514.39925 73221.39243 87362.14446 63516.73104 56354.5185 170664.9075 110004.8128 102444.7894 123445.065 194522.11 131396.5687 102188.0566 132454.3187 157750.4914 121528.2619 120989.6763 179784.1679 195475.1603 154264.7849 104566.7084 105816.1172 128634.1949 102042.9352 117259.3547 135062.4355 139813.396 119038.3524 163342.0568 113648.8198 121895.191 111911.0145 142874.3775 82092.13323 109133.2504 125813.4566 85765.36664 139781.8698 95310.7546 108134.1934 151624.5355 73950.53751 120480.8353 94439.91238 105664.122 81184.71056 143304.6243 91486.82741 134749.3725 76900.9058 81492.25171 102026.1675 91432.96127 118831.5055 127948.2893 138790.6596 102300.4894 161863.0567 125944.6913 129089.3846 80927.04266 108361.4344 89905.40201 94253.95227 93140.46604 99257.48849 87127.30933 92474.86607 87746.96577 90183.8557 87297.25996 83007.3016 112259.824 89880.26953 90472.1779 62420.40413 116869.6939 89079.21448 95981.28251 78075.37209 76125.08432 102453.7987 99093.51456 98095.9612 80530.25531 84879.27309 110997.5646 70640.40458 63097.09828 102471.236 105389.7496 75037.07172 86717.94943 69931.60303 74521.73591 66627.68688 101294.091 118671.3854 120946.4621 128611.678 109777.1042 132727.3011 137409.4601 121937.6724 111311.0698 127985.83 75863.3477 146073.4297 105341.0894 96641.03213 96738.13776 124497.4701 84027.54875 142126.3167 62319.17926 80110.10449 105408.2736 87250.02759 108837.6247 51752.30586 86002.94373 89497.86165 110294.3101 80426.45275 71466.2004 88729.2678 91959.82088 107682.7944 105758.334 104188.6599 95765.81796 76115.77178 89716.4725 57513.59446 47521.19211 69645.9217 91397.35377 54986.99082 91694.97587 70665.80241 79585.21606 76372.58046 63302.51742 134973.8084 142875.6411 128714.4065 142272.4364 159846.0017 170763.2387 171554.7285 144086.7257 149162.6015 89593.95641 167197.2701 138329.847 136753.5264 98491.42179 116080.011 111364.2157 121346.0546 125383.7784 99111.72265 139313.5769 99936.67188 135988.4453 75915.14158 77017.67263 99401.78858 99534.22372 104890.6002 58840.80152 98092.4611 73266.42619 86262.39327 98529.0131 121622.0696 101382.4274 93451.20403 92971.98115 55403.35092 87716.0714 85456.11966 81631.34588 67167.54865 64034.70772 88890.55032 90483.14572 74835.07687 83222.87988 LPA20:1 43890563.86 54772929.14 41370403.76 47620722.22 41251387.25 58796373.46 66472559.52 59025304.43 44176029.15 49158632.83 27455737.25 53608473.72 42513536.16 64755729.92 44927435.4 63785151.41 46530599.06 66215847.12 52809584.63 69534682.32 44544592.41 52375268.54 62425172.02 14110991.99 39355867.35 59335387.51 45907985.32 43610074.98 46223893.94 10727781.58 60144077.07 17538557.17 55057671.21 68843397.44 47707889.08 33812628.75 46630615.85 61993310.7 57608917.94 48626598.8 53280331.72 58274395.98 54717013.33 66440680.51 57432887.58 52088589.08 115820526.7 60229102 91718404.38 60388618.72 94483801.29 72549870 72846043.94 76165642.15 95816152.91 83869131.73 120897738.2 123993943.9 59957605.56 74994849.35 47291396.72 77225698.42 86449764.86 39409956.68 60365898.51 143201451.2 93601072.08 82712277.1 159725009.2 94527425.33 104234856.2 64768654.22 61281215.6 13346102.31 71722348.06 69253685.85 86231018.64 141073529.1 59566638.52 106052807.8 139235186.4 52600048.75 65414787.72 76778357.24 57084942.72 55831608.14 139881998.1 54817812.37 122255582.9 44729668.38 65583778.37 53453168.11 56360844.88 65387238.24 89465198.51 87609214.19 56525519.05 80060807.42 75130149.19 84697607.51 18197040.83 58943216.41 57285551.4 16776213.26 81605010.71 60006887.79 56767358.98 33148049.11 58796035.18 62909669.38 72025837.69 48243416.22 59613309.4 58895661.8 61475847.7 65359315.89 80333297.19 80194058.96 58371518.58 74656189.86 66594568.39 57765854.63 67117233.21 75270516.45 61272492.29 46674666.58 93436833.4 71541021.61 60803785.02 74468973.93 66759716.22 78606490.64 80389038.8 50572018.79 61623095.81 33359040.56 72278245.68 113858828.9 69187462.96 50725391.91 97255615.17 68797305.25 60714423.71 89237142.12 65069894.6 60918820.4 83132138.94 70119596.41 77553545.52 60181917.32 41771221.83 90191422.62 55262859.29 66737058.98 47953979.27 81003104.42 63094978.92 44518756.53 41809288.48 38058903.83 66544966.14 111375825.3 59307938.82 97432089.51 57574844.16 95463747.71 71226443.29 102691071.8 84293216.74 90391031.78 111201450.5 46390628.81 72414639.32 61851010.29 51566998.49 59967870.23 73017104.74 68438886.94 77523097.3 37249514.86 73393367 41202591.08 78759963.25 62670711.55 65957040.11 103846497.2 62323449.46 70119950.68 87738424.58 113579783.9 51918507.9 103519253 64780420.13 91087667.56 68498483.11 76890341.21 70489356.88 53222448.5 55118653.79 75579072.19 57167332.49 64784867.42 88084400.41 52395521.58 43998543.54 60340027.4 60395231.74 65113394.35 59282388.38 92157712.85 46542243.62 64348807.07 36878711.8 24487809.6 62723131 57762710.24 43301344.71 64772407.65 42691739.43 59489268.21 68383727.29 53865075.52 58185937.96 59716797.44 54980684.53 59698311.83 61269369.76 71018818.71 65258231.73 LPA20:4 83532384.51 84042761.34 89798249.1 82738226.97 97800911.51 90018458.87 91331081.39 89720003.14 77684356.81 91532808.1 70722607.99 77915503.09 89255240.26 88654331.54 84975387.75 83956534.5 79564597.76 86493051.77 93086093.74 95871070.32 96268087.15 90719972.62 91169680.53 67635794.4 80503379.02 86068405.51 84488316.8 74714448.02 76900691.26 60605004.89 77914709.61 81423426.07 83373218.69 92288821.95 77859670.57 77228917.04 81420177.37 69862532.69 76453683.68 66433674.09 74019513.63 78577103.77 84631085.79 92587086.59 74305669.11 84619887.56 148778074.8 91978740.46 89510235.88 106365509.6 149092883.5 77856052.14 84372587.3 72905207.49 144873016.7 75568467.04 147267197.4 138340737.7 153982163.4 149306861.8 92181068.42 93882017.63 94663705.33 86448415.21 95370166.53 168300708.7 96379144.14 90130562 167696104.9 86325997.6 146811703.7 91868881.81 78882741.62 43211441.3 99479312.81 91453817.75 102714891.2 150863441.8 79241258.62 95945284.68 144747653.7 86852171.15 144113449.4 83090713.75 95736755.42 88281365.73 156115989.8 93719763.24 156212953.3 90871092.61 99619843.75 76386623.48 73819029.07 77686458.53 99061778.05 85471322.58 85641214.54 101219405.8 88558461.71 100057509 88150833.55 71554232.44 80894031.01 93516841.97 83717913.8 85380403.59 83051436.68 75802996.46 91355284.23 95026309.45 80213557.14 92586365.62 97280795.75 85660506.56 84395776.86 68894681.97 106804672.6 88889927.12 84082318.65 87838332.34 76838954.29 76185434.19 86731092.37 102339161.7 78684539.3 82815597.12 97745200.98 76177772.06 73329223.04 101058926.1 95029128.37 86894038.27 71340419.22 76648977.95 70078999.78 80283631.89 91890557.68 97050516.22 94207574.81 96213697.71 103093157.6 90897715.16 90671067.29 92641594.62 95462790.3 81670639.47 95181798.68 80143987.34 86524626.3 90145695.15 90142625.84 71889273.23 81810864.49 107793503.2 86166710.55 96450635.9 94305906.28 91395016.01 79964034.31 56433044.14 86757723.61 91956625.37 94052644.91 102796211.8 63538680.61 105709587.5 82872200.46 89369711.36 100998222.8 97443212.91 94564732.58 88718674.8 83431149.53 66437347.28 81099524.96 103553079.9 88766617.46 67823425.8 93733209.72 83419686.93 79436103.85 83771405.16 98294752.54 72272540.31 84674366.52 100484212.8 93605267.21 75722390.07 77749207.66 72165328.74 95079252.43 88405705.67 76408757.45 72413349.97 82724748 89129167.58 87805188.22 76237162.21 81969415.47 77477550.85 97260912.67 93494261.59 91413329.5 90021901.32 90548375.49 76537022.49 80188592.55 89125166.56 85227978.38 79579714.66 57080547.24 90957461.45 83334675.05 68767642.08 75054092.97 85783614.93 93961327.86 71985413.48 77645360.73 59289897.7 88278564.57 78326798.03 76282650.41 70359409.04 68614819.19 72409256.43 78731132.55 92001373.34 94334719.31 LPE20:2 3182836.136 2721505.751 3147393.061 3563141.025 3409818.887 3565605.522 3848812.859 3242443.197 2297239.703 2577578.458 2224986.814 2936455.991 2610008.85 2996462.369 3434943.526 2923363.708 2792309.316 2728605.654 3334535.475 3091600.165 2737101.439 3313607.17 3896495.908 2056192.789 2833976.225 2521106.114 2466159.99 2973218.975 2593723.871 1688389.012 2679467.437 2447729.093 2741749.918 3226200.28 2608043.558 2582582.117 2989031.816 2601338.205 2829919.764 2335112.748 2791975.897 2868002.349 2897841.751 3555826.661 2873287.829 2713853.739 7736595.753 3890666.778 4011265.246 4146321.197 7153959.616 4234256.358 3865516.071 4228916.59 6830183.743 3936343.781 5989730.889 7981370.554 8259958.786 7578074.027 3675473.779 3653655.41 4203332.577 3490745.88 4075793.764 6449801.728 4585940.482 4132884.27 6977601.393 4151963.318 5699163.665 3201237.045 3891823.438 2429468.672 3405511.67 4912377.243 3679122.388 6165220.809 2988109.533 3891965.387 6277209.764 3047209.007 5947214.516 4141307.542 3979454.554 2839697.779 5603589.334 3609744.925 5203719.956 3256946.74 3847855.973 3783605.278 3576861.005 4130101.964 4667065.943 4423272.942 3750220.538 5017365.413 4785853.987 4249030.265 3199052.985 3455801.703 3598382.327 3854064.813 3035661.629 3236449.28 3388365.771 2736801.701 3216864.567 2889781.655 2700319.462 3051876.094 3463405.655 2964149.089 4204563.98 2862789.535 5549633.314 4661994.078 2551001.727 3314414.033 2410265.438 4328835.509 3145621.008 3720194.435 2779426.727 3141605.762 3311447.102 3275841.932 2745835.138 4325084.245 4029820.56 3336769.286 2887036.106 3327229.877 2930928.29 3204297.557 3881690.551 4764492.684 4134139.817 3618169.812 4891711.074 5727463.083 4189145.92 4778615.979 3950099.747 4247127.028 4478068.044 4234809.466 5054321.789 3683761.255 3478028.155 3669930.546 4554359.016 3991937.21 3520710.007 3494165.956 3419286.245 3409518.226 3707997.368 2292848.208 3270915.322 4629133.457 3631586.286 3726831.505 2242957.185 3847876.965 3190229.934 3772022.682 3931541.973 4070808.483 4376335.317 3391075.564 2880307.684 2426411.313 3032542.061 3877095.745 3353473.651 3262456.524 3026080.082 3028546.808 3160242.662 3307539.049 3882905.344 3613068.42 4105117.044 4125692.246 4132075.945 4562570.903 4304898.749 4824420.782 3529620.334 4207395.652 2199943.684 4298398.323 3869844.435 3749765.856 3584245.805 3489823.367 3906687.697 3742389.514 3299974.774 3322553.023 4222121.961 3406538.377 3921953.889 2908845.555 3148052.055 3660828.287 3997166.941 4277065.471 2212744.61 3282269.462 2967851.14 3017963.083 3551098.057 3675017.636 3859309.769 3456946.059 3255099.867 2602468.336 3135788.627 3336077.765 3292019.718 3219074.002 2721943.363 3388167.304 3097369.163 3417508.885 3382128.48 malic_acid 1199.722908 864.8255636 3251.855716 867.0410866 1506.987096 778.0998821 974.1366095 813.1512029 1623.962475 2121.940311 3987.328618 864.2207285 1377.224152 959.1586682 1677.967502 1173.977049 1382.948248 1633.50087 1313.037513 1075.924936 849.4823389 1353.364266 569.9055714 1912.513831 696.5344897 1470.522287 951.4083082 895.4286331 1009.500274 888.6047163 725.8921547 1571.222704 932.3632808 1857.005318 688.2851738 1286.096541 844.2810215 1109.639531 715.1573237 1222.142836 907.893266 998.9745546 933.2711952 715.5676057 828.0245884 4963.565607 6417.896312 1408.504848 1379.552172 2465.476078 1454.613932 2797.825703 1563.877332 5586.797255 1511.2355 1694.484663 1613.259407 2046.529149 2123.504677 2971.326035 1479.270559 1937.038109 2331.528257 3702.369215 1938.564093 2037.273981 3315.550017 3034.410207 1598.589839 1569.134236 2755.492538 1597.10356 1334.049247 5099.392784 1209.548501 1910.061403 1524.838335 1594.808627 2167.964691 1259.592322 1608.607339 4953.775748 1809.881118 3037.49791 3846.52644 2705.365337 4284.620305 2365.584313 2185.564467 2500.54328 2575.329755 1092.168134 692.3509364 371.0233395 873.8597094 865.5680417 366.9469889 3193.918598 424.8999883 1171.975931 731.7366884 766.404197 880.2442272 2122.862784 394.7958748 614.1617682 754.570869 511.3424429 1079.113224 2530.765185 409.1319232 686.1000911 2568.402606 582.5356407 764.6518957 286.0751056 741.3611109 294.0623704 881.309637 402.8307852 346.2025998 328.3645956 443.84046 13303.6187 532.4706443 511.5303786 616.7266927 732.0384443 681.8887445 1171.201689 843.1229674 699.7082198 615.7195165 733.9733873 2469.310229 685.3629069 400.4312971 1183.818523 1958.722176 2490.6846 631.8859522 821.1014099 1072.070932 1401.780194 727.9409179 672.6004886 677.4868153 619.2598534 857.8587099 506.9669835 691.3569951 858.3854591 786.6019846 766.3327286 768.9876504 1268.298242 677.7912181 1825.707416 860.0504101 759.6054266 516.2009763 1407.813986 2316.973833 1289.892312 520.3037967 632.0831523 806.6409534 670.4881979 589.6891065 394.0401617 567.6066685 818.7297151 865.5376015 569.8129271 1070.101578 1110.102753 1633.336757 623.8497182 805.8177423 830.6795103 370.4621795 530.1770354 569.3258826 805.9964135 1025.502597 1083.337806 835.8040652 449.3422098 695.04821 736.4231681 1072.003434 1010.345984 545.0464505 613.5635505 1204.961283 813.5681024 867.608864 1391.741519 1687.223994 933.362516 1812.495011 943.274136 799.5099869 2595.690332 2247.7619 1051.195517 791.7212457 705.0207104 835.6465699 1244.663349 740.6980422 560.9773049 540.6127575 1092.037108 446.1102461 795.4878995 890.2709908 1194.681733 605.477024 515.8317225 764.3726392 528.0038641 1136.83726 981.1140511 440.9539274 913.6822132 720.868185 1030.526567 918.7472111 myristic_acid 29492302.89 24996107.37 22654780.17 29060516.39 23898712.29 44348883.91 33765592.31 32707064.17 33674589.76 17243528.22 15911998.97 32099965.44 35264842.26 32971463.94 49707942.47 52997752.44 32769890.33 47758420.85 29999299.18 37985868.71 27228058.91 34134213.64 52819663.79 27211386.98 39141594.18 35651221.49 51189980.14 45378770.59 33870002.53 34072292.68 42847509.29 19600991.79 34037074.76 38604801.73 75783255.22 17999601.4 46011652.94 37530553.69 49983250.76 36804855.33 50481569.56 32420423.86 43587858.64 44680568.19 45782104.28 25231627.56 60530481.84 35762759.46 51199486.22 31687738.68 51472205.87 22834287.02 43783239.01 45624277.91 54236791.78 36125486.3 70457963.99 37909473.15 61031597.86 47197024.21 63120982.44 34134291.78 40948038.02 30617038.33 33595934.93 96910626.33 21281105.29 20127657.69 79117336.6 37658213.59 46259431.78 67631376.57 34595071.01 155557852.9 47028638.17 26526999.76 36612121.16 66742898.44 34972405.73 31702528.87 61452756.41 52867799.57 44050221.75 26777699.48 41039152.63 40873938.72 59720971.49 41175660.73 42761142.14 29926211.44 33514146.29 15094124.32 16571385.86 12962260.12 24717009.11 17386484.3 22499261.44 17502489.6 23657870.79 30342456.42 15069146.1 15072660.08 15350583.06 9586340.372 22921963.82 22897404.92 19902025.93 27852432.29 20513988.33 17598085.1 26795541.64 19309577.1 34894523.03 32126960.22 20100726.82 41009385.79 81788824.61 23524997.7 47509199.74 24791517.68 25252798.32 27621174.57 18268853.02 33046367.54 34690831.75 22274186.45 41059688.92 18279300.63 42010977.02 41220545.59 37702913.96 40864734.22 21811975.67 16298483.25 13658016.78 22669951.83 17838270.46 33777994.32 11381042.94 15799666.11 21623144.82 18206946.29 15254415.91 15199877.89 24980357.49 15964139.19 30076436.88 13965689.1 12184491.14 14037088.57 16802495.19 16110229.1 21100377.43 26321901.01 14074685.69 14717976.69 17748191.04 16889392.64 17937066.1 30840709.57 17603719.37 42742705.57 14155622.98 37941059.79 25517939.36 40671832.84 25971460.4 27603849.58 14640622.76 33705523.76 37220352.92 16523830.71 22042022.88 20381612.7 17495755.56 20292364.51 16069481.08 21307083.04 18595560.27 18570973.58 26958486.21 18811389.39 26205779.72 17393739.43 17432961.79 20513307.46 23451406.37 13981385.13 15592681.9 15651533.82 28290723.68 24392774.74 18615778.56 16665541.5 28339885.24 19375204.86 23088874.75 18149778.91 19361605.91 16792966.35 11626223.5 22023682.61 23397944.47 13576893.24 49772403.49 18478279.69 19564994.51 18820361.68 18321645.44 15315747.93 15808347.54 18511516.95 20070280.21 11427098.47 19600231.26 14583820 19279363.14 14179481.53 11117641.15 24849381.68 23366674.3 18152262.07 16089129.68 25427180.61 15205346.7 36949562.72 21247996.72 14988376.67 24877274.87 N-Acetylneuraminic_acid 133.5815563 100.1815778 164.796511 145.2974332 103.7631629 111.3917003 143.3322426 133.5875226 288.9004517 169.8113725 46.33251113 139.8153684 123.886861 131.622791 105.0775734 132.6907495 180.0467018 90.46714801 172.0459622 105.9734286 89.29776325 124.3916975 91.08717894 60.69877923 92.30016321 130.5965962 103.7902405 61.77453978 141.7856073 139.1402644 76.70117632 49.68141246 85.25402341 224.5434441 186.1185073 114.4776278 166.5721584 82.43978976 105.9348774 109.8312968 75.95080581 70.41963425 148.6082423 190.4802941 98.79373658 191.2875734 272.7323764 138.5739297 105.4626259 97.75377353 245.352343 124.0823704 116.4469488 63.89898329 337.6818785 117.7420837 456.990332 280.5059397 231.5620473 273.0967766 154.8617889 129.5043137 165.7722221 82.11853021 113.5758063 340.3134531 318.0409875 107.7385203 364.5029203 143.098641 289.4039113 112.7598071 107.1726446 460.2736046 145.0867787 128.5685306 118.2574758 355.1464654 76.76221564 129.6970695 381.501681 65.854995 243.2967408 91.12068172 113.0016696 70.0570699 290.9633969 130.2996606 353.0752592 161.381063 184.2038003 73.98607419 48.34589062 91.02613963 158.0569446 159.5732896 71.27923302 183.8182889 107.3314386 72.00114912 67.82798757 38.72324924 83.44028378 60.21551308 109.3195762 131.2180039 56.17636267 92.94818961 159.2694699 277.9597283 135.1740858 74.32385566 100.0576634 96.38337208 111.2939456 82.27640633 77.08622884 175.2902247 144.8839262 76.28216208 42.03910673 64.77189138 73.68867964 141.0141255 42.29565543 42.37000407 153.5079094 73.14529206 40.21572932 114.0778891 87.25684723 59.2480629 43.36682655 71.21865265 157.1014269 46.94198639 103.7246117 157.799478 270.6451073 190.6400059 121.4049015 158.2928409 138.4188073 247.8131911 179.9663869 151.0929554 161.674786 112.0126492 180.0402766 81.22175713 189.3655234 173.0606834 148.467806 166.5918929 146.6687525 117.9311679 168.203239 188.2305593 111.9369237 182.0421825 129.6424553 120.9978198 156.7016882 187.6091516 125.1292176 194.3363265 94.51914881 56.53066605 60.31923402 94.97533737 121.0354531 64.82696444 58.4935619 86.5335543 163.112652 205.3550701 134.926257 86.48444748 72.72214734 87.2793354 91.93759886 68.36816256 143.1982315 80.07348371 74.42161035 201.631672 160.8248251 143.1431584 216.8543262 156.115619 152.3871725 199.9560739 73.01816506 156.7599739 193.2270632 133.0546907 127.2793619 105.8150935 132.0257422 191.250858 119.8623968 140.660281 151.0755156 185.9055581 138.8327731 134.5457939 129.4708109 107.8835461 138.6381817 143.3510592 82.18461789 101.2031832 82.76196719 73.6762882 67.29515567 182.6874553 115.3115258 118.3524769 120.1377621 111.3123033 160.2874037 63.61168546 189.2888801 113.6781504 100.8117055 104.7425456 119.3717875 101.9797134 111.497716 nicotinic_acid 118.7526064 96.45036628 89.01903873 110.7267412 89.02808262 114.8912573 134.3434915 111.4026739 107.1068247 124.2811775 87.33608821 104.4667944 109.39375 159.2594167 76.85421623 112.1839876 122.2065871 129.8054233 104.4656147 147.1079634 92.63423665 131.747501 120.2161442 100.5708426 69.03911304 109.3528559 121.6985562 98.09084983 114.0568599 98.88985811 93.42852638 85.5764612 123.8187593 120.2503537 132.518198 100.621567 101.3081165 111.3043707 144.1411733 92.93229191 95.50272358 94.7564058 110.4947457 123.6052448 124.6209133 104.2489545 178.2437277 127.8535152 124.3956024 102.700876 212.1665839 102.7641832 147.4064119 131.9173689 234.9096155 97.85924752 236.5147099 202.7629013 174.4519773 202.3460958 145.0097802 107.0568867 127.5633242 120.5027963 133.3789406 181.9650931 153.1870324 121.3057367 220.9993217 111.3507698 195.5297529 118.5536408 104.4758383 179.9176343 140.2813971 131.8886644 118.3460244 190.2846882 114.1492649 121.1496313 208.5934598 108.2813512 181.3595455 130.3755817 118.9826359 110.4640751 240.4637454 97.01344692 234.3677684 113.5767471 97.61034386 64.05120945 45.70115057 56.82828465 101.0757277 79.38571984 39.38458113 105.6491851 58.39209171 93.16074851 51.08737867 52.09518292 48.25192161 56.8204204 54.33728195 66.2288216 70.91631066 36.0159276 45.21199392 64.62647969 63.87033159 63.67647771 85.54893631 49.12288782 55.51731338 46.58469959 110.7869027 71.7632909 98.19347835 58.67795738 47.94089033 53.05934055 65.20922097 100.0156262 53.16393514 51.27140223 124.5650771 77.27770635 73.77024872 90.18255522 118.9767377 124.5988934 55.14847983 65.40071557 82.63640955 57.51365446 61.33371621 100.1414543 83.2891427 76.44212928 129.9123771 107.9718927 71.98388325 127.557426 94.57474152 63.91633748 83.39177122 103.8309694 108.4457141 88.80277172 68.04153233 79.43644428 94.96362891 102.7264348 77.91471098 83.1503386 89.94190903 71.98466967 79.59923436 102.7339058 86.35541564 115.4602361 70.22071732 82.49957152 74.62076787 76.07801428 70.08466572 71.93119274 95.17871628 68.05096943 110.0877705 78.87336364 74.71042038 78.35274998 89.30254511 83.87699574 97.54860946 97.36340626 78.1250798 74.63649638 81.2613446 53.88115518 111.6102902 61.76821629 70.46490243 92.85286293 73.66329485 57.60173411 95.45553805 77.38190772 79.9739661 77.15659682 68.45951747 74.6215543 82.39183123 84.34255963 75.86292691 91.42432105 90.29815977 69.25813254 74.20396237 87.53466064 65.23242052 78.9244813 56.51725338 90.17783667 66.40969946 87.97741818 66.15725688 56.50506378 89.14368717 75.35371642 64.66540775 52.38419428 48.10800574 87.80676386 80.49969153 66.62950538 80.84689838 85.19819055 104.6063849 36.35487698 71.8218796 80.62551961 58.4903949 55.66555458 70.51680652 90.43775029 87.83428875 palmitic_acid 8147215194 6979561574 5439858637 9762293560 6043676278 12460375752 8505407904 8028353506 7918391048 4092342653 2665320474 10045729600 6799313222 11521267474 13491842071 17837563844 9227663041 14179873717 9631701748 8404214574 5712658667 8888781219 13488420636 3210311586 9513050793 10040710789 8394123084 11323274176 9223649410 4905704735 12926701906 3094596571 13097189096 12324282129 17515331800 4839488583 13354766775 8770924178 14013592963 9196153067 14138046756 8833921900 14877598119 13156181641 16959410071 7174303694 10311248969 5157223248 12745184791 4525007618 8314248222 5661670675 7885770478 7911650834 8347688837 6101437378 14659744518 5886076803 7841543260 7887651379 8060492589 9615602254 8194468288 4201560410 5410225990 19967212563 7071493017 5578465726 16851595646 9548546543 8101267605 12738507605 4788386117 12129776666 9402489813 6062622990 7299429199 13456258739 5523649820 8518432352 14592594349 8501453665 6449089355 6613139334 6028567869 6650821110 14411157075 5749225998 11541504152 3993192356 4660200563 4976868099 4826057460 4430387483 7288521817 5787780140 5785946376 5060634376 6434637719 8802797904 2900037423 4836756045 4526839781 1559940043 7324299377 6928550301 6352815911 6295074854 6829326093 6419316631 7743197924 5461055019 7540673216 8458040631 6089881489 12003538600 13593322210 7213553750 8759993622 8257577242 8606585241 6926122578 6838109116 8005177855 8640112140 6014790917 12331455941 5823525798 9926765557 9994828254 7250440558 10457780677 8212236280 4852020225 4773490836 4726668807 5464540921 8293510200 3568750096 3587026988 6070828639 4593167687 4662666791 4286604514 6210073491 4921265559 7026217429 3866433279 3588286280 3800503306 4489325007 4702024369 5169802380 5578303598 4051960306 4603052716 4613090186 4196553051 3856546250 8378219634 5212775410 11424302672 4815753449 6728199328 6372820715 10144479817 6593929643 7277122990 4535688863 9567015998 9011481420 5394495243 5655190947 4969122846 5484968875 5921525118 4878513475 6211610610 5882360346 5387366681 6472817496 4120694170 7349335235 4526962517 4568794615 6079109034 5271140405 3698403484 3933242496 5925994740 6523286848 6380540976 4970012825 4986284436 6521121706 4934855801 6764528293 4732292104 5126098734 4893712014 4034160944 6251011671 6615590072 3871062792 5392749054 5034647861 5354652515 5485729895 5151314424 6827205372 4365270807 5453593260 5454396102 2376404276 6740747227 4168234413 4852558621 6010846369 3412604790 6954322483 7236710650 5131968463 5227314731 7918765949 4502523376 7956877196 5771064018 5204595133 6542519329 palmitic_acid-d3 28594667375 25661356970 23518824156 39235646636 27825445513 37372650842 37445155283 30954971972 21443987612 19606282044 4336638432 37378957588 16034459317 39195708024 29501791728 40480844159 30663111143 35018733627 36385381557 25357040988 17470811326 31150025756 32301725497 8678920893 21818983268 29969308198 21220145477 25431975813 28240528857 6663542536 34219691907 9280174899 35590939648 39650170858 36924555848 16790548520 30341634355 23160681694 34358637211 22600535564 35413663443 25864357394 35885078362 39183903107 37506329129 31592594899 57455212327 35654338961 44753897761 27152943173 62136487493 40824653900 39938958611 46446119899 56575840562 36267078746 67120720460 64071474626 33519738187 41535927009 28933046749 40809336831 37647531030 25734853643 37204203361 70007143860 37163994998 37368152461 61019643739 41559574428 52358979349 38692044277 32226605340 22593500201 33724454390 36569840977 36247844724 64366120432 30913425281 42505079783 68401939388 30563169652 31947077908 36878422185 28965835496 27997282421 62628917959 27400705568 58277033797 26590245278 27081836209 33137518463 33021873591 33575070403 40530399318 39921060485 33685327845 45691269461 37496095908 46093304084 18035158872 34185629696 32212150856 7986876453 39143932679 32167923587 33085186201 26704607083 38039410741 35435725995 34287249593 34702477969 35032620633 30317959419 35068457490 37064805279 39872531890 36187157516 29776145995 42929361809 37694381360 35391409273 32894059162 41015197750 32367778656 27976874080 43316759683 37434433309 40695590979 38826713679 37488386361 41222138500 33812889378 35610480455 34802100903 20631637445 40258481190 28755880783 25974705809 20857653717 27668271450 29537242133 25974038872 25556103793 25381283821 27928411854 28074220140 27603741696 29877279388 23740860953 24485886470 31952021177 28541566903 23620967280 27882546826 25802378346 25583011501 25551778180 23376079443 25541126237 26762875807 30859635934 23914503362 26404896363 24167841353 28206528270 23861742417 29819966343 27367565140 30524541573 33634200276 22488676895 26633189672 23768611774 26738274513 26460285686 25734092460 25881380924 26290648608 26011201515 26993863021 17196992990 29003446377 27574375621 28498621696 32731897747 27050673096 29765058009 28903220761 39256510477 26913016034 29544999510 24620775466 31158799855 26569833056 28300125175 29991883590 25519200085 26980514429 30786515681 29296513362 29417140347 28044664915 26279798239 21940241775 27129714476 30060703746 28322106144 28790389431 38260875943 25820802372 27302381502 26321294653 13774684187 32006226503 27507856095 26531233535 30699870137 28516510405 25890045809 27798601310 27530576611 29126682849 26416061769 26219111943 30191700635 27093354915 27656200133 25019074234 pantothenic_acid 16142.48949 12721.37569 15176.03961 15812.81214 14802.47081 14866.65678 18220.92096 15646.06631 16926.95907 16447.26529 17087.23601 16493.60295 10922.33374 25029.78038 20823.96144 19940.67382 25231.18998 13649.93188 22621.31369 13850.24068 17283.273 22311.50503 15712.38593 15135.79484 13562.28942 14340.77483 14762.32569 10321.61118 20684.96204 21565.77626 13226.38327 13592.52283 16246.31322 23422.17291 16196.38324 22703.2166 16723.5925 10085.37472 15893.4104 14051.59139 12508.56401 15183.39185 14783.24537 23425.98719 16248.53293 26483.54356 25657.09421 24057.0247 19116.04554 20537.04755 19662.81999 23002.61072 19434.55185 19619.54009 25939.60944 19134.49635 25054.93563 26832.2878 27060.14371 25164.20898 18975.92723 19158.17481 19406.56986 18969.60784 17159.61228 24767.32865 26680.47296 20843.20953 22751.18961 22646.64561 37289.59599 24854.78538 19119.74204 174304.432 20053.20426 20670.30287 20313.44081 28132.50566 24654.68496 20730.99619 29118.32142 16929.82658 28560.71567 23003.75229 22042.70673 24897.44919 28673.5768 25950.19611 36292.43704 20243.34768 19486.73778 14772.33253 5990.713616 8485.554364 20731.68476 14143.08891 8737.319761 27246.346 13031.02126 19778.92462 10108.69531 9280.234624 7327.497864 16326.69405 8294.156127 8734.307292 7957.534235 6631.372905 9621.440905 14173.4854 8088.34334 8413.812302 17582.99781 5372.142747 9565.857454 7486.968459 20746.28504 9172.827647 23273.48378 10218.58474 8530.682509 10366.15948 8650.098591 21201.49855 6229.26039 6356.046829 17227.77109 9306.748881 12995.63268 18718.61707 24263.37203 18663.89886 7882.045839 10575.70501 11695.54166 6711.287139 12472.26489 11429.82831 10962.80954 12187.76097 13502.05363 13909.22166 10167.44525 12887.36046 8607.842485 10334.31338 11365.66951 9597.689965 10308.91351 10725.35903 9548.167693 8771.616607 10987.57974 8722.456738 10545.44442 12023.27111 8860.8627 12506.90149 11980.06369 15168.0124 9372.973368 10403.34195 10817.54512 9693.359638 7663.644103 8703.84285 8899.050841 10096.25132 9166.884249 7053.861488 11396.58696 9855.126958 9012.740968 7029.671136 10274.67555 11937.85742 11767.87263 7637.292927 8776.77178 9410.250973 5686.7487 7734.770081 10371.40978 5189.288144 7874.593942 10590.04255 8820.608866 5638.227564 10938.83663 9947.698092 9512.656799 9174.250076 5200.336884 9658.093366 7562.085392 8251.234107 6912.433997 9669.477328 10028.09251 9561.9571 10361.50714 6083.484071 8292.91943 13100.34882 9559.809866 10232.50099 9454.817394 6139.022221 7645.039275 6630.838362 5479.699215 7095.891093 8563.244354 5961.368091 4444.62846 6881.19492 8633.351076 6048.37635 7705.388316 4956.798018 6287.317236 4462.590023 6688.328954 6071.207694 4867.171403 6602.725004 5400.387475 7167.338704 7823.50881 Perfluorooctanesulfonic_acid 555.2079128 655.0664627 569.3338074 631.3743028 553.3201132 626.4894347 694.5107117 646.7060951 604.3951875 615.2034883 525.1751658 596.928834 600.1356579 503.3425238 587.8512125 667.368977 778.305289 527.5523949 628.6961884 472.9083345 536.6158756 666.4498237 644.5818296 509.7632421 590.1286703 534.1860112 568.5332798 634.1286204 441.1409801 454.352435 589.2456546 482.6120802 592.390416 566.6069857 580.4359231 456.491627 632.1709023 681.8916002 584.0583301 532.1371633 671.2011395 709.5699005 561.158056 546.1389329 777.757725 494.9876553 700.7067482 442.5472062 432.5567162 462.6146024 759.3872273 408.579383 509.300523 467.5191105 637.8225171 527.7943601 806.5342958 776.7136611 735.1537881 819.3042427 511.6471137 491.2843314 533.1317344 393.2287362 431.8457471 987.1534313 643.5031992 474.1134467 735.2331338 459.4203481 676.7993334 462.3137172 512.6534688 710.7742271 451.0654797 460.3159334 457.4579164 621.3296062 410.1505853 457.4319915 772.4297779 705.7660197 678.4703071 424.3573968 625.9355859 620.2831855 822.683899 514.5844765 766.6705357 537.2341437 413.5742352 212.5797478 225.7613498 166.9371056 457.6370335 237.7095579 227.5698037 376.3430247 299.3415407 412.0784506 195.9949216 209.0343297 215.5288946 283.4488291 218.0286775 247.0173606 205.0034101 237.0284417 327.1023291 354.4954562 175.7546931 218.1606585 518.8526476 196.5833368 206.4811259 163.9518212 433.1412035 244.9025222 323.0580543 209.5591113 216.0528906 127.208469 214.1509501 378.7948859 155.9795405 185.942369 457.2583737 303.7919713 308.3759541 365.0437231 570.0125668 588.5621816 169.3763972 196.4945639 241.2298368 247.4918637 252.9486494 363.8260413 337.8477819 264.5999003 395.106323 363.1142866 294.3647573 381.0998398 291.0015987 275.2628649 400.5458254 276.4609067 356.1680011 271.3592127 250.9202272 282.454258 430.6500622 319.4057945 378.733609 365.14428 236.4973753 307.1818403 398.6643106 419.2855557 255.7689576 506.7504616 285.6092323 425.3071886 201.9780601 297.3414001 280.6481609 326.3835041 305.4951546 300.0792202 312.735255 273.3475693 259.546128 297.126931 378.5442792 360.4495275 323.7595962 524.5828225 258.9090054 246.6551984 271.1745964 298.5496547 366.1789168 164.8222673 312.7124726 317.7796001 292.9278928 178.4210235 268.2780849 282.0441742 308.5016503 281.3002099 189.7195394 275.9172707 323.8279435 249.9578657 260.9358564 348.1210884 315.849378 305.2712583 314.098273 236.9404544 256.8153783 258.4227183 317.9791428 316.1117688 273.7380131 287.8104868 316.6844721 333.2708695 262.7223135 292.2797718 279.7392204 193.4189353 245.009364 280.2278643 280.7793563 212.5098293 250.9068719 287.4019742 267.8805708 183.6028488 322.2268883 382.4447889 213.8799177 244.5843537 307.3043941 374.9344418 264.4333528 phosphoric_acid 116180.6823 114489.5355 154471.977 101391.5298 124264.0778 151513.8783 150822.6673 101233.3824 136348.8111 134703.292 132350.3196 132067.0611 124216.2596 192119.0445 107757.6119 112929.207 102949.2803 109571.59 127479.6559 205404.0465 99486.11739 121737.9525 92603.48222 88059.82721 86485.55118 132244.2224 155775.3775 125719.1287 125216.2252 228029.412 100450.2007 74973.69782 132446.4329 171908.5216 121081.2379 95161.63047 120777.7882 115487.0722 134982.6166 196631.8688 132567.476 109893.3385 129827.8897 119092.587 148198.5064 168956.2045 174570.7702 163813.6967 190717.2062 150112.8744 153346.1552 193398.1708 168080.9925 146657.2963 156812.6857 141957.8037 190061.7583 213091.4106 127201.4638 144957.2236 131788.6007 171359.5582 145685.7474 128501.8095 132252.6566 192597.4205 169971.28 211943.1623 191524.0959 168868.2572 176297.1585 158518.5848 128879.572 2190086.318 149285.123 159236.3201 173778.5583 174603.4338 182093.3559 151839.5757 166859.8471 143369.2831 148242.0926 187103.0188 152525.1391 150969.6089 192756.3576 121869.2179 197335.269 128096.4647 157151.4366 77679.29428 77488.48333 83091.30676 123802.436 93649.16497 62054.29892 134455.6476 181035.9608 125916.675 68182.48204 77831.65992 98278.48748 72132.81261 94445.11709 70745.3987 79269.87231 57188.32911 83330.07004 95376.40268 84395.46719 87975.73926 153509.1007 68290.48655 73732.64433 86953.74955 149542.5277 102979.6938 127499.4001 89096.65859 75962.59178 77979.73398 69324.69531 133245.1268 77961.82264 72108.3447 114079.4074 112505.8913 106500.6289 103910.5472 148874.8161 166300.0505 94282.52918 80070.23521 93583.88244 66113.11084 88817.58733 160430.7474 167845.4926 120225.0399 150936.1257 133015.9451 126069.0854 225518.4413 119239.8862 108186.8434 140243.8728 134340.6097 192234.3507 159875.5256 129870.2988 123202.4507 117359.5527 150734.4815 127577.3338 136496.8554 162725.9476 158758.4806 128990.1246 228897.4417 169264.4376 154792.3993 121492.1409 157195.6338 115789.151 106305.1688 129827.845 134594.5574 136175.0323 137798.7061 168639.0605 130907.7113 132916.6131 166252.0237 118745.6106 193694.6617 171824.7614 153530.3499 154564.6332 120741.429 131797.0945 97766.19621 183475.8971 91629.65347 129139.4504 172622.4421 141093.8719 96860.10869 144831.6058 114943.3094 154247.0123 135969.3201 118875.5498 122701.4844 224791.0947 190523.7577 130167.2665 158482.0021 168283.7245 140824.7398 130015.5118 136159.5201 116081.3056 111197.7821 114461.7297 176749.0698 113535.9725 109296.0652 104876.97 104053.3909 103924.3756 113342.1514 122767.5269 69854.43598 80248.08204 136045.5401 113673.3027 80916.83679 115495.7596 163052.4646 160597.5822 76638.87168 116665.123 135205.6143 96006.17567 79149.64874 141038.8116 119383.4303 137527.0706 PI_(18:1-22:6) 32.40399164 42.70775017 46.24612595 52.17629851 52.72074326 42.2887286 40.92529884 26.74707163 38.36378159 41.49730063 12.92193512 48.71467038 34.65517024 28.29515932 34.57327174 28.82569678 34.15528034 43.04332799 30.76833951 36.83681237 27.70049379 37.1002783 27.42775633 32.65020223 44.47861209 47.9546626 51.45208913 36.10101358 40.0205522 37.72095562 35.97043956 30.40726499 55.96320277 36.00804075 36.76933625 40.52275998 31.4173465 33.46558164 42.53983249 31.61050334 42.26735257 28.98923624 21.24261674 39.10653403 45.57625803 53.92578441 138.1164128 37.4484757 48.4854576 46.06558869 47.59719367 23.20869584 22.58286768 37.24656242 111.1980755 38.49358298 87.71174886 112.8010197 100.8193721 154.3135153 134.0176247 30.36399786 28.81539508 25.44004367 22.00107927 161.3809954 36.07474425 31.75189415 127.6905792 34.89107913 87.9837137 60.74937174 39.40348048 79.40909521 31.72588236 1.313208976 36.86076382 115.7887697 38.88762294 46.20852475 108.2051746 22.54346368 64.43480427 30.0348586 17.0645055 22.34052023 91.79817499 22.24110884 81.62267261 26.05479751 27.75483525 33.03445557 23.3807342 27.78187721 41.76669004 69.9274122 25.05424507 24.62260392 42.42033279 35.57871748 17.09824356 22.36550185 24.23397235 16.25736745 52.11680621 33.88640601 40.10296578 35.76543576 38.0459742 43.19759592 32.98809793 27.70925024 58.92545608 40.63916917 29.63515271 25.34552559 41.81021471 50.76805637 59.55051162 41.37908865 28.34666781 31.95458006 42.71547644 39.67467268 27.89571097 28.85763204 37.40958679 32.00042262 30.94166559 30.16259966 34.68839322 29.25682285 43.42732379 23.2715362 22.18728247 28.75023684 44.83788381 42.80587384 26.55906564 37.44770308 40.19877158 44.90201188 24.72150022 30.66326219 31.7431377 19.47020957 37.10929229 23.38021912 28.22253235 17.30479261 33.98375706 31.0503485 41.8550271 40.19336318 40.06716738 32.08901722 26.06638692 20.52330067 29.84839787 28.09376112 29.55273913 51.081228 19.74603754 29.04460787 32.75218904 64.97281046 31.27544061 29.3984712 27.43522507 32.32569874 52.18582758 37.24913784 18.65637541 13.38319366 35.61297063 28.17385683 40.59332662 34.27374986 26.99276713 18.65766313 14.2879403 24.58526026 46.30819368 34.65156465 20.02392585 36.64545833 24.94633478 51.32924138 21.1058617 38.92161854 33.0746322 30.93368177 41.48030283 28.7736732 32.80730313 28.14604224 52.55153787 51.3609191 47.29921705 55.98972964 80.66409959 64.6472768 53.11735864 45.41529399 62.6350976 49.36882822 43.5360067 42.43964847 40.22941913 54.97913305 26.99585764 58.43380753 49.52618666 24.21929243 34.87433887 53.59767532 52.50311989 45.08744245 48.90370654 49.77806318 59.50647186 31.43563201 43.77526364 77.43065407 44.2936966 40.07772662 44.88990739 42.08939074 46.96544203 PI_36:4 90857.6068 106736.0972 106919.0186 108278.2417 88988.15269 96896.88547 88563.7331 99574.6211 130096.2643 94468.99258 35000.9583 91893.43966 106672.6243 102186.8478 88482.34707 85175.97941 91796.37667 92931.6735 92311.13888 94556.61643 98022.18999 83694.16524 95568.82793 69814.66401 104842.1743 93799.82642 113544.3355 79469.78909 87865.83762 48285.48825 86790.76528 59427.26476 98941.5049 107147.0525 90370.46759 81078.85499 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158660.3551 172699.4196 192887.4651 252523.0224 64157.37499 67309.94585 40513.23927 37734.19475 238484.4729 92484.29798 78676.81249 197028.1398 79883.34104 199614.7767 105053.8363 66674.74317 121013.5477 60096.2087 73433.80372 73588.11845 182108.9744 62885.12376 89165.35596 217255.0458 59705.27289 150128.3754 80963.38865 55581.11385 55596.71631 167795.2639 61020.85349 165599.5823 52148.33994 53663.44936 62296.34956 42148.29137 46251.32977 70260.87972 83930.24557 41678.19689 45185.34963 75950.98732 58897.81169 32085.04603 47084.54571 47188.56533 37225.47301 59521.36596 54346.4115 44440.04567 44368.30934 49861.14202 55671.24088 39119.5978 36965.8757 60789.57571 52969.39258 50156.29661 52942.94806 53761.13474 96709.86328 68075.25322 50911.34483 39664.10998 55060.13165 50402.54537 51797.09034 29772.01565 39806.80544 50853.42337 59738.29453 49848.88156 47313.40443 53978.11188 61937.88164 52480.56737 46743.41924 42427.56176 40760.81899 56488.69892 55000.1506 35635.12011 36296.46614 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60157.11269 56791.57702 44126.06321 40281.60203 35173.3029 pyruvate 709.3872437 651.885718 710.4154032 613.8000007 939.4035365 656.0493054 863.1037094 825.2625494 607.6381768 487.3730683 725.875498 992.909608 778.4206633 861.0137639 842.3886905 889.7930584 915.3258553 704.7365798 1050.846242 801.6148814 823.1440722 729.801661 672.0209324 534.2282013 779.8411333 761.1559397 816.109994 698.5054647 734.4482489 199.92556 810.1927273 550.3394298 967.1801463 995.7352634 755.8877687 622.4563088 808.2413641 584.9901365 728.3394124 517.1744084 836.5977784 801.8329449 859.9071423 791.65223 982.3722471 1045.886824 738.7850644 759.6060581 690.6347969 632.7715302 790.6454693 544.9112776 470.2122816 629.3793172 863.9881915 690.6938982 1043.655239 673.9580297 821.824482 842.2276903 665.5289561 708.9613065 752.7829105 677.8281483 720.609365 807.6870344 961.4350887 899.8300959 888.8270572 1009.558862 1095.116201 763.3263854 559.3472888 695.8071829 722.934697 846.0203658 662.3741675 1323.765011 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614.3237609 571.7616268 536.2294949 463.8028434 514.4751076 565.7730309 444.1699903 518.9260497 589.2148632 458.6763118 575.3912641 661.1126596 576.561063 546.9655586 695.7480816 669.651784 677.5275467 667.6403005 543.1117438 567.6785395 578.8925089 435.2579162 460.8457385 497.1971372 534.7713222 612.6454867 454.0134201 548.0039079 397.7306047 538.6006813 411.798761 590.2073581 351.0527757 647.0281994 583.7123249 360.0912044 531.7357552 471.9985685 545.5206328 396.3284764 441.7091329 524.9635571 514.6850193 543.8586624 542.6531989 583.6195969 409.8168282 507.2545545 379.7760258 628.2594487 602.7470316 518.1047449 410.1877401 446.5900882 578.7152048 586.1792962 417.5641984 563.8318576 591.4759989 568.3286542 314.8684911 559.0945797 605.1141421 488.3186897 525.2937094 428.3787243 569.9192954 630.4910337 stearic_acid-d3 16630220319 17314430374 11524361444 29611652636 14804730046 29636315116 24056901013 18626512859 11601163036 11472285697 1591005497 26685950639 7582223098 29050272153 20977070672 32669496664 16800305433 26297065700 21771735373 8505665023 6942135651 18601998898 24838437690 2705331521 11038809453 18701467391 8716775367 15507531622 18029251322 1822144123 22472580423 3491180538 24781500216 30936181168 25650829066 7252282414 20641450768 11047875695 17657397290 12945984511 21803691212 14507972360 27559298724 28834801366 22565124868 13859217770 36209795623 17459455904 34204115686 16100678292 39185874087 27179345876 28776628099 31271829338 35365225776 28336216342 51441232133 49507015871 18637882709 23040976633 11916074034 23549998074 26852451496 10531648809 21518695231 59281898930 28096246360 25400074087 50226122711 30595734009 30936244932 27530618762 18062809660 5229400406 21192931341 24338690022 27693745408 50832327078 15850052782 29333454026 54788102719 18176978054 17234761140 23529613521 21532524245 13946070362 49473908109 14463373094 37385433414 14223864437 15955615845 18829204586 21695316355 24890276254 31689004239 32643888940 19764675617 30785339422 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11220850843 10472345085 10267301752 22054550896 8960947231 14419177559 14198329792 40086099520 9388314365 13346012977 8493236538 12780662089 8592065022 12746824635 12162660385 9264780919 9908980343 17698944692 14207550140 12596060563 15677819413 11695279644 9471520901 9765892183 10373139528 12467252608 11916236078 39874615884 7460303908 11916974680 8701408227 4057863602 19367461535 9682236612 10300073780 16439004576 10295545068 8834763436 11288607869 10023323984 11587064350 11026003459 8219097391 18194874346 12660482359 11440176992 9336279925 succinic_acid 466.2261493 339.6572383 333.9399634 255.6417091 718.2536899 315.9453089 455.6145887 411.4445926 482.8486261 859.4126039 835.3475114 340.0357974 335.8772021 314.296156 446.5926591 294.8555167 421.0776136 302.4901897 437.3453399 440.1436619 314.9889907 481.9391318 244.1008135 469.232401 276.1989789 421.2855433 373.6831189 280.7591485 330.0877074 285.3915379 238.5692469 445.9172841 346.0736969 720.2615613 396.9085561 536.5040288 315.3604072 391.3214357 313.8176001 380.3448076 327.2306572 318.4261808 378.513121 289.7160008 267.0127689 479.4487363 703.6208311 454.7011263 327.1981185 517.8427293 373.2894809 384.7716482 405.9836586 385.0319572 390.5770154 458.0407005 461.0501267 457.8010257 517.276081 690.9537816 368.6594723 521.2156357 424.7846362 901.3914012 410.3152642 401.5044388 761.2641997 477.9598957 547.9361977 461.4596372 625.9574769 414.7984521 302.5838375 583.9120151 357.2685719 421.6045806 389.5437156 403.9702319 377.7282258 376.1536737 337.5739725 551.720202 510.7254998 563.8079052 922.7653112 614.0777034 558.8350506 488.8182737 694.3385925 568.63632 639.1618105 231.1853594 162.8939234 149.29119 313.1636531 341.219886 132.5171308 677.5589779 204.0283036 272.7395673 266.445327 148.6102597 250.4704482 865.7608107 221.8015367 222.4959587 254.994111 205.8091983 446.8513808 959.1181005 160.6098705 215.9445838 346.4308281 187.3113855 261.8248419 164.236737 317.2770117 167.6175797 399.8116366 113.7732943 183.4527805 164.0113475 137.1931696 434.9065301 119.0215367 196.9698024 312.1613046 207.6289805 164.8605263 433.7748208 299.8759888 285.0494855 194.4421066 276.1108865 1067.886795 247.34674 166.4787278 265.6723362 768.8107804 1296.288118 202.0482091 377.7885413 364.2612022 413.9080048 371.900637 253.3846394 296.3229294 198.5022924 320.8356265 250.4426714 235.3177651 383.2367773 273.0879687 247.8252959 215.2358767 491.393587 253.0314763 1028.009517 360.3700586 302.4560638 231.9686673 333.8209196 1109.229899 517.8903468 191.1009451 241.2723338 223.1633973 273.1086029 290.1818587 192.7762876 261.9803924 275.9712085 256.1797869 269.9087067 617.9815451 402.7004318 571.0695744 299.1609326 271.4054836 408.1685084 183.7781667 211.725673 254.6806291 261.6026269 294.3769608 378.5440724 325.1124719 200.8506289 239.5541356 217.4643758 403.0726419 305.2964479 279.013967 276.8426088 371.0379666 382.3495045 234.6884204 743.3171628 662.2547124 398.4513632 688.2324413 273.7903268 291.1143682 1941.433068 944.8780861 307.2638444 306.6876726 245.5483856 268.1690806 360.7422687 383.1359869 246.2793143 205.8425305 750.3669341 167.4144117 300.0061433 306.6035484 619.3751507 238.8478093 242.7056207 351.7012921 142.7112446 394.686406 447.3854905 197.4404221 284.963774 242.2746823 428.1710343 332.0535166 succinic_acid-d4 56696.25671 58802.20712 58100.11533 61410.92501 60268.01338 65621.97164 72320.16207 61037.57722 56550.10596 56270.47811 44580.17345 61268.34888 55337.42897 73463.41723 54992.37171 65536.55224 66585.73464 60837.41727 72917.28084 81896.3272 48084.92231 61598.87555 66553.72093 53885.18768 46168.66797 59362.63269 59990.85527 54600.16666 61798.08846 44737.76297 57608.77734 47840.26071 62999.16884 73811.02778 77703.04223 48809.1953 59397.99818 59347.9257 73521.00105 52120.83132 61664.13783 59112.06601 59914.06137 67462.11915 69356.23873 60987.85755 86556.10425 68296.806 67843.50751 56788.1847 88369.50249 62802.85277 64323.94023 74628.28721 89821.77163 57130.09443 94504.45408 91250.15119 81095.37173 89079.2356 59769.85113 62403.82345 64952.70133 58575.04721 55440.72145 100760.3484 65443.95575 61683.03223 91448.84415 66999.99089 98071.27128 63368.07853 55137.99323 89247.32614 54883.5641 60383.56169 62002.78863 87611.39599 62601.14227 63644.9581 93445.9034 57209.85016 77700.71176 72245.97717 55456.75616 61054.79108 94762.12357 54617.99332 95241.0386 53173.29122 53271.30999 31642.19769 24817.62368 29034.96535 52650.77516 36335.39972 26359.1561 63639.95364 35951.29094 61446.80116 28527.82478 30163.33711 31761.70129 30116.26359 32764.22798 29325.05708 33294.32038 22566.71097 27859.72434 36039.33792 31526.61223 31476.94828 58190.42778 26463.24707 30203.37282 30961.47003 57895.47086 34010.52494 54492.57535 30082.26296 29485.10704 32863.60232 25754.92523 56375.68325 27082.2035 27736.12618 55320.95788 40466.96917 36499.67423 61644.73277 60038.93154 67217.5504 26732.71744 28643.78162 35071.83318 25772.42692 38695.82568 60401.16552 49670.06505 41616.85362 51446.83508 58157.45774 43464.46605 64288.83472 46978.87102 38483.19636 59586.95147 48730.2752 58614.04303 46550.91052 46273.92882 41958.94905 53713.18828 44513.80629 50305.58542 44531.31726 46519.85314 51794.6499 45451.12641 51480.3622 44103.81172 55898.90371 45289.79515 48183.10821 44414.2184 43326.54156 44681.64613 43412.33236 48337.90302 44337.02526 61399.01271 40834.41188 44628.96464 50217.42702 43612.3716 45397.58144 48971.13935 45572.91405 49622.27661 44314.10129 42318.54617 39575.75696 64178.97793 29858.80765 42100.541 51503.09119 41051.7207 32564.9408 49623.18651 44746.78771 47268.74919 39789.34261 32747.58048 46405.40042 53845.57907 54648.6886 42861.34006 46353.55456 49218.81848 48794.35832 41085.86989 38060.99238 36540.81482 37664.52565 37568.7445 53516.5101 45355.25241 43394.97922 44808.34539 42322.54788 44209.59251 44491.53225 43758.06739 18918.93102 27036.86622 48325.90717 38004.28133 29564.35211 45295.52382 47402.69982 49085.43422 26945.87599 41189.47806 45953.14181 34692.78458 34732.5046 44458.29296 41779.23405 47012.89022 T-a-MCA 19914.94337 16660.78655 21212.824 13839.91755 24840.20264 21840.93197 24477.90257 31690.87322 19152.39323 40352.11185 43654.06118 9078.986456 13012.94847 15010.9037 51755.97088 9309.734336 52850.01358 8104.717227 26798.53337 16087.73551 32230.20883 27127.42637 38509.34151 9701.307258 39202.8186 17064.54335 19238.03535 23454.36358 14397.86602 450164.1489 8710.253823 17111.4753 33180.49038 19293.8094 9671.145168 11417.12575 27684.48203 4806.887762 13624.26505 115228.4044 25349.11799 7979.09922 38553.9966 8575.184167 13300.57835 16442.3588 26786.30288 8500.980118 7220.105996 10052.26964 18913.35185 14271.44125 21273.1446 16452.88254 20739.55671 7945.814069 8664.662884 11374.33158 4959.211339 16843.89611 3342.993718 2253.060115 13197.9082 5694.048357 6068.582494 3927.181635 5616.64595 1340.552894 5170.374657 2213.166699 2304.237423 5173.985359 3631.996887 766429.1471 6224.16897 9512.74758 9504.619018 5851.771851 1712.25082 2092.414354 10524.11345 3823.331822 12249.92861 57691.21556 6140.405703 3719.306314 6776.660159 14330.19853 10824.68019 2642.015547 8474.844659 8361.130853 3743.957333 3985.401067 13746.05005 6405.994886 4158.194851 22132.94705 10162.54844 27501.37247 3580.080944 4446.997226 4851.535688 19816.89148 5628.686404 3381.155288 3920.40126 12471.2356 2091.130708 19275.93876 6941.92059 6836.905456 7206.29784 8800.962402 7484.988815 2832.658461 6395.377917 4127.02162 1535.839164 2682.235253 7704.664355 5151.05543 3852.500701 3346.801628 2337.515403 1655.777576 4655.851416 1921.897429 8031.176514 11863.1102 2570.723007 4925.944116 4198.159979 20760.76555 2389.671581 1770.775028 4460.418137 13587.77437 9753.839925 21080.05989 7656.853927 19395.07399 13138.58082 15403.84274 16652.41058 16209.35199 12573.24958 11104.61179 15948.15517 8270.802348 12022.44721 10618.36102 4711.320691 4882.181834 8432.061247 4196.510602 10954.86984 5503.796273 7208.983456 19102.15893 6021.765279 7534.782081 8404.043347 3253.626154 1741.046796 5796.126882 3192.721106 14660.3931 7870.817601 2696.441411 14604.50431 3180.081856 6640.274586 1946.917765 11252.70077 14290.80351 1723.039899 1709.16003 3847.326676 7881.879186 1721.035547 1818.463545 3515.371571 9712.903098 18385.02762 5163.924158 8468.641566 14399.01342 9939.592076 18433.72369 7262.183044 11673.56806 5969.09636 18153.31163 9484.421318 10543.77331 2828.330638 4416.544702 3479.02073 3910.275518 6454.475821 2871.953082 2899.142707 2842.830816 5370.175201 2193.686119 2669.384453 3796.328648 4044.954344 13361.82044 3587.635809 7389.109797 5492.082109 3270.675695 5085.657621 5955.130437 3497.988569 2434.746193 3474.133554 2813.289035 5128.383663 4393.378122 2744.997644 4743.634143 4284.662646 2881.494371 3207.637213 4434.809762 3105.296939 TCA 43057.30539 26169.42613 44197.70312 17018.22223 37409.40322 38534.16551 55165.57592 58131.02907 72230.68331 84475.05889 125602.2948 12330.63242 22988.34147 33070.58692 142096.526 21260.55383 130516.3419 13433.26699 47047.28998 30596.6951 92299.65252 41320.17882 69561.46223 19595.05927 61569.90538 21026.22858 31930.39026 48127.72804 13079.6838 1011853.164 16391.40243 18146.21213 28090.55882 35846.48879 17139.30033 24793.03642 39599.48666 10081.79571 30094.54083 428170.5772 48629.78178 19231.67152 124363.4758 20492.6341 30388.34955 25602.13742 80594.26841 20044.26998 20214.85238 17454.60182 54063.83028 39778.96353 67190.36219 45044.02228 62447.90813 26600.24998 22956.03881 47492.74395 21144.4759 80554.18242 8777.075054 7023.164855 38621.58111 21399.40501 20785.63856 10136.03561 19958.00785 4293.015831 9120.525633 7042.070246 5955.60024 11531.1508 10050.27614 2131944.801 6437.99724 18328.55153 32817.86423 11316.96907 4271.78232 4439.264082 27318.24212 8316.096756 35186.44038 192553.4003 13688.54003 11033.17656 18590.02584 48409.9914 25828.86983 6695.265058 17105.0558 18720.56457 9892.757672 8530.527169 40709.77756 12934.15515 12466.99146 85177.26744 22558.6023 62399.12873 8940.863571 9231.857379 12026.49003 62981.70366 8211.278454 7076.584622 8917.973921 22497.20344 4456.137659 69476.95149 11378.24624 16536.04746 19659.43708 13761.6959 14468.62418 3190.989752 11065.16704 9113.361373 3224.969718 2611.531322 21310.86767 7399.822888 4815.31892 6824.877835 3437.225457 3193.275542 10087.76416 6102.837942 17450.82392 32671.16094 6996.820063 14497.96907 10781.78725 83817.42326 7269.072506 3850.281526 6694.656572 27164.27404 16565.99554 37489.99849 15330.6899 42507.46171 26702.73487 34070.40855 28382.42038 31399.06571 19020.27295 24646.03683 29831.96596 17043.02728 18869.02983 27728.06528 8164.197523 5647.986832 13533.78356 9805.162165 22892.90972 12079.58174 30620.74352 17789.50714 11499.46192 12665.69648 15227.20497 7695.573467 4623.323115 3803.735004 5419.49775 67655.36179 9284.17658 3914.960926 21891.07216 5383.729364 26792.61617 6359.100436 59049.44587 30568.9746 4281.475764 4016.990775 6097.747826 44632.22022 3530.106853 3067.990951 6140.22543 27837.08478 44613.54235 9080.995217 23656.58592 22055.2099 28281.50697 66583.56952 12400.09505 35094.04577 12667.0669 50928.91646 15699.61751 22124.65136 6586.282596 6996.798899 8871.533223 7984.84235 7301.74026 4535.981585 8272.216989 8366.352396 9067.269893 5490.304338 5097.894458 6882.731612 8488.943776 13377.88419 12650.18274 9119.022937 10573.00252 8980.72204 8582.423076 9892.540733 10676.06415 4750.263846 6994.354373 7900.273399 6925.965854 6848.831013 4930.031731 10442.42146 12497.97132 6467.813047 3964.332939 10516.00063 4691.399454 THDCA 25977.95314 18562.75189 26059.26009 15190.9236 21619.08803 28238.12994 32680.16805 36604.19759 34823.27293 38113.05365 53711.54638 10732.9849 21113.78588 21590.35276 89321.23887 21502.64916 57289.72245 11793.67008 40034.94456 33952.53844 42430.58881 33181.19611 66145.74608 12943.49458 54761.04777 14721.32435 28665.13314 47228.76632 12627.6466 281537.3597 12461.4289 22744.09552 21149.73703 17833.81115 12619.12325 19330.71797 34335.99394 8921.73616 27902.46311 99483.03531 40315.81784 17605.92329 69446.74369 11708.81725 22179.21682 17592.45144 25028.41077 6813.99489 10091.71052 10014.01979 42123.28486 20017.46814 18200.83645 22480.99714 23860.98928 12213.95389 10665.95249 10954.05821 12310.02361 20892.17469 5665.494402 3285.548008 24625.74877 6051.217286 10608.90812 11646.67128 12301.96367 2281.481035 7707.899656 3534.462877 6091.512863 17485.06553 3576.086607 863252.0749 7607.38621 12129.08865 12776.97483 7642.948433 2326.911308 3283.053067 17568.90052 9958.154619 22589.9098 48450.71242 9266.273894 6760.219183 16442.48626 40306.69455 25491.17479 3385.718037 10199.48123 8049.950724 6314.534958 3026.889214 19688.47104 7396.656769 6564.389051 30187.67208 14209.55107 33129.76639 4310.017229 5062.426139 6375.481036 23562.36178 4541.682661 4875.475184 5405.763984 8471.595796 2334.938151 21367.20654 5217.79933 10792.80556 9239.714975 6558.9068 7063.286276 3091.439095 6478.030155 5760.467672 1472.842851 1533.867542 4675.706106 5286.048179 3442.832746 4275.894873 1574.663763 2260.168526 5644.041218 5004.682523 13366.65399 10711.49861 4334.701838 7916.510673 3337.916949 47295.35188 3605.806612 2414.283903 6082.269581 18114.02243 11443.63768 15158.98587 8825.438875 19965.48399 22272.11304 23478.15854 23057.0679 19221.23019 22976.69604 12773.80961 17331.07841 8367.958502 13779.05578 15442.7513 8989.790544 5511.213524 9467.86763 8068.5159 11691.49747 10120.20995 9673.983706 28424.91954 8941.348136 5884.54859 8337.799917 5661.336167 2967.618843 2873.63031 3892.054574 24393.81853 7495.159367 3975.533736 13463.35262 7924.992646 11795.30441 5431.602969 35627.79012 22554.36827 4368.302863 4047.634642 5586.545855 29141.02146 4047.465002 2912.759098 7647.632137 12801.76702 19907.8314 6343.357116 10439.50864 14414.45485 11973.89752 23681.60176 7411.163011 16548.14268 7990.796205 20715.28211 8378.790602 12427.86925 3696.53062 6671.307421 3348.980751 4708.024491 5420.679843 3167.747888 5279.428102 4841.212151 6688.263091 4453.391531 3388.370206 3521.218587 3738.928071 7465.261447 8645.976881 5319.562315 4111.170824 3240.543902 6617.461375 4176.291687 6212.701635 2173.520003 3933.843805 4388.589259 4493.062339 3621.23139 3579.582834 4392.027561 7679.069224 4770.058744 2851.672344 5807.470214 2613.15927 thyroxine 78.26272367 40.89307967 52.68556698 72.07053175 84.93165059 88.36476347 62.60244505 87.44714035 86.45669448 81.98769208 59.41433274 62.67752587 79.10695952 55.49855744 51.42612854 71.12016662 74.32944833 55.15843568 112.0541738 61.20639339 54.47932118 69.35915443 68.33709558 58.59634696 75.09380496 62.35687996 36.35097226 52.37480012 73.37400254 20.54956427 61.86038686 91.40214962 91.35275434 74.72743313 55.30916183 66.35874417 65.78688799 26.68107057 71.05722292 50.92511931 45.38325148 39.3022695 92.80328193 57.31206975 40.65936945 57.62537694 99.7392256 46.33559242 67.80390885 65.45777432 81.51716678 56.66202791 48.9823325 51.15600694 99.31160363 59.45356671 115.1844231 76.97336581 136.0873753 113.7226051 56.52908405 56.69025378 84.10519704 65.94523514 43.38034357 86.43891218 79.82135636 47.14849755 95.54288513 55.80650171 106.5066608 51.4893545 58.47808055 5.387754558 77.45518146 65.78773477 67.53237595 88.61258663 55.08279034 70.89774674 97.08345325 47.38079649 154.6134267 64.18055359 72.20629819 57.65727217 108.5987625 67.92894946 95.03735975 60.42312543 52.56730057 52.95822891 38.48315467 42.06953404 78.68131336 52.76290587 51.79447618 49.36648662 47.08583612 56.25444631 55.91291325 33.53713502 46.44736688 68.2761277 39.14815623 57.62650597 35.20189699 52.20770296 74.80336073 85.96612882 38.02758909 45.19470265 55.37323457 53.08722115 40.23767491 33.47616714 50.32023886 64.76680496 45.91418015 45.59635682 49.46245459 41.59787971 46.17498721 44.10377268 38.81932482 42.94453609 55.68428368 34.902985 42.61401113 57.17799686 45.30506582 49.80681023 52.23903367 36.46500478 35.3754861 54.53041001 45.92913986 73.65315642 41.41045992 65.96047711 68.79491924 56.47291456 55.33936352 57.16557747 47.05902154 60.96816703 50.18023853 44.77187908 66.60374475 41.11803988 67.77370717 56.3221884 74.21767387 60.37739951 74.49541646 62.34643639 61.55385388 67.59080351 61.00203807 32.50011646 51.04564378 61.92869347 49.4418497 73.55718846 37.01484478 60.11941504 44.06340968 63.4063179 49.13842157 43.38373067 73.06605827 63.85849638 54.25746582 32.98757728 54.9571852 56.56351961 34.72318619 41.90667076 58.77021833 41.16687064 34.54536319 46.483496 48.77204975 38.19158141 45.79309115 49.0602359 37.27903895 43.69336849 38.18283139 43.26828685 50.52148933 36.95839304 32.72902829 32.6680604 44.97200052 54.71133785 43.81107038 35.85984208 49.72185036 43.3780855 50.86132883 47.44486922 39.66920584 41.27215314 47.8293056 31.62709022 33.18544065 58.0024746 42.21884891 52.79226078 38.4952918 60.57610966 40.99243475 63.17006735 33.04798065 53.07226143 49.39160765 39.82698847 35.0697999 33.54221568 42.52425285 30.39757121 32.72225408 43.70522336 32.79535909 43.6112312 40.10162621 40.7465874 46.64607702 URATE 28887.90276 22617.66268 20395.65079 20550.8787 44766.71022 20496.73053 31707.42823 27746.51168 54880.08176 91836.88122 32336.88093 25223.66808 22597.01938 26643.0049 32066.22245 27491.05166 27023.11934 27151.08186 30188.37141 24371.23014 26214.69334 35375.05342 14322.16066 65690.8105 27535.21076 37376.56997 27940.54805 30633.22939 33324.03888 58344.68808 21453.24434 41905.80988 26363.89367 45498.33163 24657.62861 45623.92785 27554.87693 36809.36502 22458.38498 46473.04003 29255.02023 28483.8899 23547.57037 32335.95678 35174.04178 79170.76362 12092.526 11881.3016 9236.711426 17441.44064 10446.17181 7348.259142 11359.7391 8260.949371 14154.5656 8124.404607 17939.05174 9923.420277 14617.91837 17559.36111 7201.572264 8737.393295 7354.569268 33056.37653 8786.767675 13081.24971 24594.32133 13242.8113 9644.18544 11145.45971 22212.81984 9426.015198 5818.730578 25381.32116 6775.609346 9657.353119 6258.020105 12142.03576 18083.83145 8283.870667 12321.06203 8795.832594 12655.80479 16558.18785 18414.63626 15671.72114 14602.83175 13077.22936 17479.81939 19082.82089 14062.78035 21886.90067 7565.228577 6044.511821 9166.23462 18208.65657 11665.64481 18533.27486 5446.70393 8692.739738 15632.88326 10469.98783 32213.25662 51412.98553 6824.336231 15818.03718 15478.85026 13774.822 27495.09555 71088.36961 9017.828939 12346.66749 15415.05442 11112.85543 12669.65528 6842.96052 7343.085075 7566.035002 14282.65174 5610.778972 11108.24056 7555.963523 13104.55362 17985.21219 6219.01152 7779.254857 7466.862429 8654.77303 9313.680832 10261.00612 10583.62895 10610.72365 9078.222493 18478.06126 70583.9245 15183.08078 5622.739956 13571.81489 44606.4554 124242.0846 14688.70126 24750.20263 35519.59768 32347.5116 30635.93709 16833.57893 18882.78637 23828.77712 24038.16498 23889.40024 32256.78 22917.04636 18396.52408 17514.78408 23807.05074 36975.30602 29669.12223 74807.94739 30774.34193 26196.08082 17403.94483 19740.34541 101574.9651 44248.23803 13736.84352 16591.48671 27350.18045 15342.31727 21633.99531 18598.97199 17287.79025 21652.71966 18137.44986 17178.54031 45484.64595 51489.5841 89551.26185 14048.76504 27138.8501 30179.93044 13964.36122 21488.79766 20925.95446 37597.81287 35792.22808 44748.26841 23184.00823 15464.34051 21285.71404 25425.84522 39651.89418 29477.79357 27805.81627 22671.41647 41390.44566 29524.46613 34111.21529 32227.94296 52728.05223 38290.72589 80292.48853 37437.61102 41804.1003 120193.2972 88476.01525 29581.65164 27000.28045 29242.27048 29668.61601 49110.43125 20558.02469 30028.88769 34509.54198 61102.40139 23798.46261 28227.82358 31854.13865 56561.14753 23063.49778 29421.90893 33492.78765 22690.44103 38498.47737 39136.83606 20639.98569 29267.99954 26345.38123 37531.16805 34883.82308 Uridine 44089.46941 43083.46604 40661.32655 44759.99708 37866.29666 43448.06201 36765.3418 44830.47463 46679.54423 33686.76439 38034.00219 47520.83668 42208.65834 44214.49631 40035.55291 47179.60156 44337.28264 32833.13442 45226.98441 30641.336 39129.01092 36597.26284 42233.14667 30480.9267 32794.46298 44777.21072 34201.73735 42361.26872 48822.48809 117100.6845 37420.80305 26202.24184 39032.2569 47239.32866 43240.5073 33087.97817 41952.44296 24127.16152 34557.29202 37971.68982 32247.35359 25397.94041 43006.23087 44206.69021 41382.05889 45019.98984 61765.18535 51377.84119 53643.57856 52226.00617 55036.98579 50681.26684 55460.12393 35803.35997 58572.20941 38963.27308 74981.97949 47504.44171 61929.42948 61363.8928 46871.90325 58435.08197 45535.64502 36853.4495 40764.91001 72570.02313 67457.62931 52570.96839 59879.4838 53707.50673 59900.70462 53546.51575 34661.73006 189204.8047 63346.05393 46604.11875 52656.03121 70384.29292 40383.80417 56172.28176 59363.34029 39480.73795 53757.35232 53366.2429 48325.43973 42294.87017 69992.17092 49147.01943 74731.423 45966.22302 47551.2855 18992.85747 8504.019625 13344.71512 35740.29355 21748.00227 11319.0926 44745.02402 24215.894 36510.69194 15483.80979 12020.94522 14536.10444 19251.96693 17835.95289 18146.75354 12854.77627 14804.03975 22188.41869 20970.74572 17700.59206 12897.44772 47250.36636 15294.7829 11954.20197 14553.03801 35464.80349 15815.17058 46765.52625 19554.0279 16654.66052 13210.67566 16492.65696 47571.09878 11532.63654 12905.72779 44158.77639 17842.71052 38620.55861 39841.57809 48928.27621 46594.18697 12778.63985 16954.91179 16365.0376 11040.06214 23946.14181 45222.64689 33646.9583 31203.8996 39905.19028 48875.83098 26437.22204 37058.03114 34997.75871 23013.49571 54763.44905 23919.02512 35467.26668 33137.91712 32712.17933 21240.19629 42568.93115 31027.72011 42075.22929 38944.7668 31495.45429 38201.01831 30953.71654 127422.3052 28071.39044 48272.74315 29816.87658 39360.87442 32253.73779 45741.19614 30025.1566 31447.74874 40593.24757 34708.94729 43091.63121 36711.50339 33839.98518 28501.57346 46385.0811 48595.06983 40659.71076 39553.19754 33156.14333 35148.09261 33215.57599 29558.06155 51384.53419 9599.480779 21678.57321 22225.85495 18964.6205 9592.988859 16603.30685 15340.54232 28130.7082 15503.89596 12084.72977 15898.04309 25440.05171 22780.05949 17822.45199 22451.08291 22291.3702 19944.1104 19256.70661 17239.75913 18057.96361 21536.14595 15613.80617 34840.05677 21468.42604 22049.57492 19217.48938 18490.7391 17836.52739 23002.1923 24716.40376 8269.965818 12108.92366 21293.19448 22081.5031 12915.80319 17755.1845 21814.7168 27263.23263 13272.04009 21497.90538 19468.41212 13444.27704 23468.17424 22194.60182 27006.59355 20842.58058 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 23-Dihydroxybenzoate 2-deoxy-D-glucose 2-hydroxy-2-methylbutyric_acid 2-hydroxybutyric_acid 4-Hydroxybenzenesulfonic_acid 5-hydroxyindoleacetic_acid 5-O-Caffeoylquinic_acid_methyl_ester 7z10z13z-Hexadecatrienoic_acid a-Ketoglutaric_acid a-MCA ascorbic_acid Benzophenone-2 Biliverdin B-Linoleic_acid CA CA-d4 CDCA-d4 cis-aconitic_acid citric_acid DCA DL-P-Hydroxyphenyl_lactic_acid Erucic_acid FA_19:2 FA_20:0 FA20:5 FFA18:0 FFA18:1 FFA19:0 FFA20:2 FFA20:3 FFA20:4 FFA22:5 FFA22:6 GHDCA gluconic_acid Heneicosanoic_acid indo-3-lactic_acid indoxyl_sulfate lactic_acid linolenic_acid LPA14:0 LPA20:1 LPA20:4 LPE20:2 malic_acid myristic_acid N-Acetylneuraminic_acid nicotinic_acid palmitic_acid palmitic_acid-d3 pantothenic_acid Perfluorooctanesulfonic_acid phosphoric_acid PI_(18:1-22:6) PI_36:4 PI34:2 pyruvate stearic_acid-d3 succinic_acid succinic_acid-d4 T-a-MCA TCA THDCA thyroxine URATE Uridine METABOLITES_END #END