#METABOLOMICS WORKBENCH landerson_20250828_094719 DATATRACK_ID:6344 STUDY_ID:ST004161 ANALYSIS_ID:AN006906 PROJECT_ID:PR002622 VERSION 1 CREATED_ON August 28, 2025, 6:50 pm #PROJECT PR:PROJECT_TITLE Distinct plasma metabolomic alterations are associated with physical function, PR:PROJECT_TITLE weight loss, and muscle mass in men with cancer PR:PROJECT_SUMMARY Background: Treatments for cancer cachexia, defined as involuntary weight and PR:PROJECT_SUMMARY muscle mass loss leading to significant functional impairment, remain PR:PROJECT_SUMMARY unavailable partly due to insufficient improvement of clinically meaningful PR:PROJECT_SUMMARY outcomes in current trials. By reflecting downstream effects of cellular PR:PROJECT_SUMMARY function, metabolomics may identify mechanisms contributing to poor functional PR:PROJECT_SUMMARY performance. Previous metabolomic studies in cancer cachexia have identified PR:PROJECT_SUMMARY alterations in amino acid metabolism with weight loss or low muscularity; none PR:PROJECT_SUMMARY have examined perturbations with poor physical function. We hypothesized that PR:PROJECT_SUMMARY distinct metabolic signals in plasma and muscle are associated with weight loss, PR:PROJECT_SUMMARY low muscle mass, and impaired function in cancer cachexia. Methods: We enrolled PR:PROJECT_SUMMARY patients planning elective laparotomy for gastrointestinal or genitourinary PR:PROJECT_SUMMARY cancer. Handgrip strength (HGS), stair climb power (SCP), and fasting plasma PR:PROJECT_SUMMARY were collected within two weeks prior to surgery; rectus abdominis samples were PR:PROJECT_SUMMARY obtained during surgery. Metabolomic perturbations associated with physical PR:PROJECT_SUMMARY function (HGS, SCP), muscularity (lumbar cross-sectional area “CSA” from PR:PROJECT_SUMMARY opportunistic CT), or weight loss (>5% over previous six months) were examined PR:PROJECT_SUMMARY in plasma and muscle. The Mann-Whitney U-test compared metabolite abundance PR:PROJECT_SUMMARY between weight-losing and weight-stable patients while Spearman’s correlation PR:PROJECT_SUMMARY tested associations of abundance with CSA, HGS, or SCP. The “Globaltest” PR:PROJECT_SUMMARY method assessed pathway alterations with weight loss, CSA, HGS, or SCP; the PR:PROJECT_SUMMARY Benjamini-Hochberg adjustment was used to control for false discovery. Results: PR:PROJECT_SUMMARY Patients (N=72) were male, median age 65 [interquartile range: 59-70], with 57% PR:PROJECT_SUMMARY genitourinary cancer. Plasma and skeletal muscle metabolomic data were collected PR:PROJECT_SUMMARY (N=64 and N=68, respectively). Weight loss was associated with significantly PR:PROJECT_SUMMARY altered microbial, amino acid/derivative, fatty acid/lipid, and caffeine-related PR:PROJECT_SUMMARY metabolism pathways in plasma (adjusted P<0.1). Lower CSA was associated with PR:PROJECT_SUMMARY significantly altered fatty acid/lipid, galactose, glycerophospholipid, and PR:PROJECT_SUMMARY histidine metabolism and bile secretion pathways in skeletal muscle (adjusted PR:PROJECT_SUMMARY P<0.1). Worse HGS was nominally associated with altered plasma branched chain PR:PROJECT_SUMMARY amino acid biosynthesis and altered skeletal muscle glutathione metabolism PR:PROJECT_SUMMARY (unadjusted P≤0.05), while worse SCP was nominally associated with altered PR:PROJECT_SUMMARY skeletal muscle amino sugar/nucleotide sugar metabolism and phenylalanine, PR:PROJECT_SUMMARY tyrosine, and tryptophan biosynthesis (unadjusted P≤0.05). Conclusions: PR:PROJECT_SUMMARY Significant metabolomic alterations in plasma and skeletal muscle characterized PR:PROJECT_SUMMARY cancer-related weight loss and reduced CSA, respectively. Nominal, PR:PROJECT_SUMMARY function-specific alterations were detected with worse HGS and SCP which were PR:PROJECT_SUMMARY distinct from those associated with weight loss or low CSA. Future larger PR:PROJECT_SUMMARY studies may further characterize metabolomic profiles related to various PR:PROJECT_SUMMARY functional outcomes and guide development of therapeutic targets to improve PR:PROJECT_SUMMARY functional performance. PR:INSTITUTE VA Puget Sound Health Care System PR:LAST_NAME Anderson PR:FIRST_NAME Lindsey PR:ADDRESS 1660 S. Columbian Way (S-182-GRECC), Seattle, WA, 98108, USA PR:EMAIL lindsey.anderson5@va.gov PR:PHONE 206-277-6719 #STUDY ST:STUDY_TITLE Distinct plasma metabolomic alterations are associated with physical function, ST:STUDY_TITLE weight loss, and muscle mass in men with cancer ST:STUDY_SUMMARY Background: Treatments for cancer cachexia, defined as involuntary weight and ST:STUDY_SUMMARY muscle mass loss leading to significant functional impairment, remain ST:STUDY_SUMMARY unavailable partly due to insufficient improvement of clinically meaningful ST:STUDY_SUMMARY outcomes in current trials. By reflecting downstream effects of cellular ST:STUDY_SUMMARY function, metabolomics may identify mechanisms contributing to poor functional ST:STUDY_SUMMARY performance. Previous metabolomic studies in cancer cachexia have identified ST:STUDY_SUMMARY alterations in amino acid metabolism with weight loss or low muscularity; none ST:STUDY_SUMMARY have examined perturbations with poor physical function. We hypothesized that ST:STUDY_SUMMARY distinct metabolic signals in plasma and muscle are associated with weight loss, ST:STUDY_SUMMARY low muscle mass, and impaired function in cancer cachexia. Methods: We enrolled ST:STUDY_SUMMARY patients planning elective laparotomy for gastrointestinal or genitourinary ST:STUDY_SUMMARY cancer. Handgrip strength (HGS), stair climb power (SCP), and fasting plasma ST:STUDY_SUMMARY were collected within two weeks prior to surgery; rectus abdominis samples were ST:STUDY_SUMMARY obtained during surgery. Metabolomic perturbations associated with physical ST:STUDY_SUMMARY function (HGS, SCP), muscularity (lumbar cross-sectional area “CSA” from ST:STUDY_SUMMARY opportunistic CT), or weight loss (>5% over previous six months) were examined ST:STUDY_SUMMARY in plasma and muscle. The Mann-Whitney U-test compared metabolite abundance ST:STUDY_SUMMARY between weight-losing and weight-stable patients while Spearman’s correlation ST:STUDY_SUMMARY tested associations of abundance with CSA, HGS, or SCP. The “Globaltest” ST:STUDY_SUMMARY method assessed pathway alterations with weight loss, CSA, HGS, or SCP; the ST:STUDY_SUMMARY Benjamini-Hochberg adjustment was used to control for false discovery. Results: ST:STUDY_SUMMARY Patients (N=72) were male, median age 65 [interquartile range: 59-70], with 57% ST:STUDY_SUMMARY genitourinary cancer. Plasma and skeletal muscle metabolomic data were collected ST:STUDY_SUMMARY (N=64 and N=68, respectively). Weight loss was associated with significantly ST:STUDY_SUMMARY altered microbial, amino acid/derivative, fatty acid/lipid, and caffeine-related ST:STUDY_SUMMARY metabolism pathways in plasma (adjusted P<0.1). Lower CSA was associated with ST:STUDY_SUMMARY significantly altered fatty acid/lipid, galactose, glycerophospholipid, and ST:STUDY_SUMMARY histidine metabolism and bile secretion pathways in skeletal muscle (adjusted ST:STUDY_SUMMARY P<0.1). Worse HGS was nominally associated with altered plasma branched chain ST:STUDY_SUMMARY amino acid biosynthesis and altered skeletal muscle glutathione metabolism ST:STUDY_SUMMARY (unadjusted P≤0.05), while worse SCP was nominally associated with altered ST:STUDY_SUMMARY skeletal muscle amino sugar/nucleotide sugar metabolism and phenylalanine, ST:STUDY_SUMMARY tyrosine, and tryptophan biosynthesis (unadjusted P≤0.05). Conclusions: ST:STUDY_SUMMARY Significant metabolomic alterations in plasma and skeletal muscle characterized ST:STUDY_SUMMARY cancer-related weight loss and reduced CSA, respectively. Nominal, ST:STUDY_SUMMARY function-specific alterations were detected with worse HGS and SCP which were ST:STUDY_SUMMARY distinct from those associated with weight loss or low CSA. Future larger ST:STUDY_SUMMARY studies may further characterize metabolomic profiles related to various ST:STUDY_SUMMARY functional outcomes and guide development of therapeutic targets to improve ST:STUDY_SUMMARY functional performance. ST:INSTITUTE VA Puget Sound Health Care System ST:LAST_NAME Anderson ST:FIRST_NAME Lindsey ST:ADDRESS 1660 S. Columbian Way (S-182-GRECC), Seattle, WA, 98108, USA ST:EMAIL lindsey.anderson5@va.gov ST:PHONE 206-277-6719 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE median (interquartile range): 65.0 (59.0, 70.0) years SU:WEIGHT_OR_WEIGHT_RANGE median (interquartile range): 88.3 (78.1, 106.7) kg SU:HEIGHT_OR_HEIGHT_RANGE median (interquartile range): 177.8 (172.7, 182.9) cm SU:GENDER Male SU:HUMAN_INCLUSION_CRITERIA Males with histologically, cytologically, or image-based documented SU:HUMAN_INCLUSION_CRITERIA gastrointestinal or genitourinary cancer planning elective laparotomy were SU:HUMAN_INCLUSION_CRITERIA recruited from oncology or urology clinics at Veterans Affairs Puget Sound SU:HUMAN_INCLUSION_CRITERIA Health Care System in Seattle, WA, USA. SU:HUMAN_EXCLUSION_CRITERIA Participants were excluded for other conditions associated with cachexia (e.g., SU:HUMAN_EXCLUSION_CRITERIA congestive heart failure, liver disease [aspartate aminotransferase or alanine SU:HUMAN_EXCLUSION_CRITERIA aminotransferase equal or more than 3x normal levels], renal failure [creatinine SU:HUMAN_EXCLUSION_CRITERIA equal or more than 2.5 mg/dL]), active infection, uncontrolled diabetes mellitus SU:HUMAN_EXCLUSION_CRITERIA (HbA1c ≥9%), or intentional weight loss ≥5% within the prior six months. #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 - QC(I)#1 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#1_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#1_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#1 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#1_NEG.mzML; 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RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#5_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#5 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#5_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#5_POS.mzML SUBJECT_SAMPLE_FACTORS - 41 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-41_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-41_POS.mzML SUBJECT_SAMPLE_FACTORS - 42 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-42_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-42_POS.mzML SUBJECT_SAMPLE_FACTORS - 43 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-43_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-43_POS.mzML SUBJECT_SAMPLE_FACTORS - 46 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-46_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-46_POS.mzML SUBJECT_SAMPLE_FACTORS - 48 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-48_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-48_POS.mzML SUBJECT_SAMPLE_FACTORS - 49 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-49_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-49_POS.mzML SUBJECT_SAMPLE_FACTORS - 50 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-50_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-50_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#6 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#6_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#6_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#6 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#6_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#6_POS.mzML SUBJECT_SAMPLE_FACTORS - 53 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-53_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-53_POS.mzML SUBJECT_SAMPLE_FACTORS - 54 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-54_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-54_POS.mzML SUBJECT_SAMPLE_FACTORS - 55 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-55_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-55_POS.mzML SUBJECT_SAMPLE_FACTORS - 56 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-56_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-56_POS.mzML SUBJECT_SAMPLE_FACTORS - 57 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-57_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-57_POS.mzML SUBJECT_SAMPLE_FACTORS - 58 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-58_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-58_POS.mzML SUBJECT_SAMPLE_FACTORS - 60 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-60_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-60_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#7 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#7_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#7_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#7 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#7_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#7_POS.mzML SUBJECT_SAMPLE_FACTORS - 61 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-61_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-61_POS.mzML SUBJECT_SAMPLE_FACTORS - 62 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-62_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-62_POS.mzML SUBJECT_SAMPLE_FACTORS - 63 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-63_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-63_POS.mzML SUBJECT_SAMPLE_FACTORS - 65 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-65_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-65_POS.mzML SUBJECT_SAMPLE_FACTORS - 66 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-66_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-66_POS.mzML SUBJECT_SAMPLE_FACTORS - 67 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-67_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-67_POS.mzML SUBJECT_SAMPLE_FACTORS - 68 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-68_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-68_POS.mzML SUBJECT_SAMPLE_FACTORS - 69 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-69_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-69_POS.mzML SUBJECT_SAMPLE_FACTORS - 70 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-70_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-70_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#8 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#8_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#8_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#8 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#8_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#8_POS.mzML SUBJECT_SAMPLE_FACTORS - 71 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-71_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-71_POS.mzML SUBJECT_SAMPLE_FACTORS - 72 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-72_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-72_POS.mzML SUBJECT_SAMPLE_FACTORS - 73 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-73_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-73_POS.mzML SUBJECT_SAMPLE_FACTORS - 74 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-74_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-74_POS.mzML SUBJECT_SAMPLE_FACTORS - 79 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-79_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-79_POS.mzML SUBJECT_SAMPLE_FACTORS - 80 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-80_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-80_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#9 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#9_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#9_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#9 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#9_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#9_POS.mzML SUBJECT_SAMPLE_FACTORS - 82 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-82_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-82_POS.mzML SUBJECT_SAMPLE_FACTORS - 83 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-83_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-83_POS.mzML SUBJECT_SAMPLE_FACTORS - 87 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-87_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-87_POS.mzML SUBJECT_SAMPLE_FACTORS - 88 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-88_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-88_POS.mzML SUBJECT_SAMPLE_FACTORS - 89 Sample source:Plasma | Group:WeightLoss RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-89_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-89_POS.mzML SUBJECT_SAMPLE_FACTORS - 90 Sample source:Plasma | Group:WeightStable RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-90_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-90_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(I)#10 Sample source:Instrument QC | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#10_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(I)#10_POS.mzML SUBJECT_SAMPLE_FACTORS - QC(S)#10 Sample source:Sample QC (pooled study samples) | Group:n/a RAW_FILE_NAME(Raw_File_Name_NEGmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#10_NEG.mzML; RAW_FILE_NAME(Raw_File_Name_POSmzZL)=2020-07-17_Garcia-Plasma_91-QC(S)#10_POS.mzML #COLLECTION CO:COLLECTION_SUMMARY A blood sample was obtained in EDTA-containing vacutainers before 10AM to CO:COLLECTION_SUMMARY measure plasma metabolites. Vacutainers were inverted 8-10 times, spun at room CO:COLLECTION_SUMMARY for temperature for 10 minutes at 3,500 rpm, and the plasma layer was extracted CO:COLLECTION_SUMMARY for storage at −80°C until analysis. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY n/a #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Approximately 25 µL plasma were sent to the Northwest Metabolomics Research SP:SAMPLEPREP_SUMMARY Center at the University of Washington (Seattle, WA, USA) for performance of SP:SAMPLEPREP_SUMMARY targeted metabolomics. In brief, targeted liquid chromatography mass SP:SAMPLEPREP_SUMMARY spectrometry using a HILIC column to separate polar, aqueous metabolite analysis SP:SAMPLEPREP_SUMMARY was performed. The assay targets over 350 metabolites from more than 60 SP:SAMPLEPREP_SUMMARY metabolic pathways using a Sciex 6500+ platform and Aciex Analyst software for SP:SAMPLEPREP_SUMMARY peak integration. All mass spectrometry experiments also included blank samples SP:SAMPLEPREP_SUMMARY run under identical conditions to identify any signals arising from SP:SAMPLEPREP_SUMMARY solvents/reagents/buffers that may also affect batch-to-batch variation. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY 5 µL for analysis using positive (POS) ionization mode CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu Nexera XR LC-20AD CH:COLUMN_NAME Waters XBridge BEH Amide 2.5 um 2.1 x 150mm CH:SOLVENT_A 10 mM ammonium acetate in 95%H2O/ 5% methanol + 0.3% acetic acid CH:SOLVENT_B 10 mM ammonium acetate in 90%acetonitrile/ 5% H2O/ 5% methanol + 0.3% acetic CH:SOLVENT_B acid CH:FLOW_GRADIENT A (5-50%), B (50-95%) CH:FLOW_RATE 0.3 mL/min CH:COLUMN_TEMPERATURE 45 C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6500+ QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The instrument is controlled by Analyst 1.7.2 software. Targeted data MS:MS_COMMENTS acquisition is performed in scheduled multiple-reaction-monitoring MS:MS_COMMENTS (scheduled-MRM) mode. We monitor 180 and 213 MRM transitions in POS and NEG MS:MS_COMMENTS mode, respectively (393 MRM transitions total corresponding to 361 metabolites MS:MS_COMMENTS and 32 stable isotope-labeled internal standards. The source and collision gas MS:MS_COMMENTS is N2 generated by a Peak Scientific Genius 1024 nitrogen generator (Peak MS:MS_COMMENTS Scientific Inc., North Billerica, MA). The ion source conditions in positive MS:MS_COMMENTS mode are: Curtain Gas (CUR) = 30 psi, Collision Gas (CAD) = 8 L/min, Ion Spray MS:MS_COMMENTS Voltage (IS) = 4.0 KV, Temperature (TEM) = 425 °C, Ion Source Gas 1 (GS1) = 70 MS:MS_COMMENTS psi and Ion Source Gas 2 (GS2) = 80 psi. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ion count per second MS_METABOLITE_DATA_START Samples QC(I)#1 QC(S)#1 1 2 3 4 5 6 7 8 10 QC(I)#2 QC(S)#2 11 13 15 16 17 18 20 QC(I)#3 QC(S)#3 21 22 23 24 25 26 27 29 QC(I)#4 QC(S)#4 31 32 34 35 36 37 38 39 40 QC(I)#5 QC(S)#5 41 42 43 46 48 49 50 QC(I)#6 QC(S)#6 53 54 55 56 57 58 60 QC(I)#7 QC(S)#7 61 62 63 65 66 67 68 69 70 QC(I)#8 QC(S)#8 71 72 73 74 79 80 QC(I)#9 QC(S)#9 82 83 87 88 89 90 QC(I)#10 QC(S)#10 Factors Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Plasma | Group:WeightLoss Sample source:Plasma | Group:WeightStable Sample source:Instrument QC | Group:n/a Sample source:Sample QC (pooled study samples) | Group:n/a Paraxanthine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1-Methylhistidine 2528318.973 2596542.531 190110.861 602565.1559 4549996.747 1918153.014 301221.9287 1338063.195 1134422.593 372642.2886 12626666.02 2777720.823 2571878.365 1277085.202 680716.8954 1285549.321 1764163.368 2085944.45 7902705.967 639512.9113 2633447.97 2746623.859 1172145.263 6121909.504 333350.4706 844997.4033 2189451.672 2928009.796 1709027.269 700717.1503 2922963.863 2658241.007 4471422.168 8700624.711 795971.5761 754988.452 1419116.651 219784.171 11836411.3 1847818.735 562037.2323 2940431.793 2858273.94 4771352.745 390935.208 821082.9305 3099467.093 1098953.199 3126537.685 3019332.186 2894101.638 2712986.415 662928.3858 3641341.632 4442212.326 1345925.587 8018049.213 3138317.406 10028203.12 2467401.909 2520789.37 832247.4393 873264.8148 2218728.722 746874.0092 455254.3156 2243474.502 3626526.606 731848.3921 346941.6462 2884192.7 2744954.915 7285009.08 823957.6252 1557334.891 1762798.402 962164.7215 2309477.83 2619730.209 2598063.891 5943893.552 3783051.891 4440643.182 2111135.601 615973.3138 4818690.464 2677082.48 2556660.587 1-Methyladenosine 1159334.905 1255132.974 1178740.492 1256224.66 1332532.377 1344119.382 1335030.635 1155078.9 1263768.801 1311493.67 1360109.657 1230177.834 1252123.029 1251089.784 1240592.545 1321058.432 1140362.12 1354576.499 1299171.067 1096502.916 1209612.518 1153775.668 1217405.263 1144519.873 1114284.693 1380069.485 1160393.453 1207045.542 1369011.337 1205643.657 1141390.211 1181604.071 1253972.444 1380147.156 1304172.933 1094386.618 1146201.341 1081771.014 1371735.501 1084120.274 1042344.741 1195401.569 1186054.597 1160040.104 980396.9931 1052266.996 1170707.983 1164992.46 1073414.517 1228108.676 1048496.317 1200482.89 1071775.446 1256418.342 1111810.086 1099288.583 1220515.851 1055364.735 1183316.529 952862.1896 1129771.336 1002933.401 989129.9091 1180697.079 1181561.673 1156524.699 1199740.712 861641.1916 1079335.124 1145993.145 1216265.664 1059300.417 1100660.279 1033696.3 1101897.787 1028959.031 1129760.803 1138251.35 957351.0871 1041182.483 1102462.042 842081.1934 1019593.133 915731.4086 1014718.446 981305.7413 1050966.627 1060412.927 Methylguanidine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1-Methylhistamine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Methylimidazoleacetic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1-Methyl nicotinamide 166842.5169 252160.5709 126738.074 585818.6759 116190.2826 228618.9004 193879.4373 187301.6726 132613.9508 223125.9615 333456.7364 164887.9044 238563.8888 169896.3652 397791.6376 214783.5389 129338.1933 348202.0647 536112.1442 196517.8599 173001.1199 251624.5266 252551.4036 336664.6536 89851.15332 182533.8473 344082.5301 153252.7439 291927.5394 137982.5395 196184.4036 234476.6211 285142.6841 482433.6012 121007.7442 297138.363 57068.32555 75894.70344 183749.651 138271.7036 181611.6893 168620.278 260205.5825 159794.3757 152448.3157 221775.3624 266715.6802 257662.7893 189675.4919 533620.4772 178006.4464 252025.2 199749.575 249731.9165 286526.083 312099.0697 426855.4579 43247.36349 137611.8147 166117.3602 246256.895 107975.3935 189865.3482 102912.2474 205004.2013 144359.2224 351789.9506 94116.81041 166083.2236 158196.4978 173470.013 295151.821 181977.3876 261448.2853 232604.5176 656460.4503 133755.773 136412.8142 179186.3902 240824.396 140804.4663 382321.5766 332743.4327 242005.6611 319987.9654 158109.2589 166846.3939 233247.078 "2,3-Diphosphoglyceric acid" N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Aminoisobutyric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Deoxycytidine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Deoxyuridine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3-Aminoisobutanoic acid 47405.06423 44256.38319 30541.78055 34077.75533 65782.11514 32332.52326 42677.48996 61541.53357 59586.99418 60843.74166 8357.143345 47068.39345 48211.69064 34703.33707 37280.76432 20011.78308 30751.29838 23719.7735 38879.43615 76939.81253 52547.44475 54264.81159 81770.85906 39252.9639 27463.78424 72335.44007 30908.53257 20962.70939 77734.71189 33070.56922 52875.49767 47010.38748 38665.9858 136938.5755 39901.98612 30681.00224 79854.58115 41989.63816 60353.26277 149115.8611 100414.4068 45343.16315 41970.93295 57379.70406 42713.30186 37728.95408 46751.27038 38295.94054 54204.71805 103898.5178 48206.04184 51431.05066 54408.33812 36743.00997 47723.60048 43751.38434 129755.1527 27427.61612 47840.64229 42870.36455 41566.31219 33630.49627 37212.96017 37651.31171 27502.39811 14757.0468 36531.57617 30758.77999 35717.46894 27914.93215 45951.96084 50467.58422 17878.28865 69862.18873 81877.60113 31408.8743 40245.71749 49471.09521 45426.2177 46652.85578 58998.78861 25100.40566 94647.1692 52342.8251 80512.84615 68001.48039 43890.51383 48332.21953 3-Indolebutyric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A p-Aminobenzoic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 4-Guanidinobutanoic acid 4480906.993 4247535.231 3000580.164 4558263.531 3935661.76 3238235.969 5968393.144 3019519.088 2771336.431 6312086.147 7533005.328 3496311.776 4238374.838 4051766.365 6823106.949 1897973.501 4895476.581 3818035.746 4450290.927 3416768.075 3415345.947 3669786.123 3004079.835 2452395.152 3325029.11 4036763.974 3671176 3308646.896 6036742.129 3507935.563 4433697.916 4428984.385 5865216.03 3394325.49 3563032.098 3856263.511 2467740.681 2089615.903 3768228.391 3156486.848 5474280.607 4098142.49 3980511.711 4581965.91 3749903.397 2859464.869 6506920.793 5030419.363 4957837.212 4153218.261 3763715.915 4002661.771 4222861.595 4259869.42 3905883.476 4837742.62 3621362.645 2353428.15 4082578.386 4090345.599 4240776.311 4679249.894 4200260.003 4015917.044 4620419.612 4923530.061 5797870.215 1313509.725 4536437.674 3486929.049 3958564.199 3809537.616 3922703.174 4688958.684 4823739.357 4115870.43 4355506.986 5135891.694 3286313.854 4052996.102 2788747.544 2919436.098 4199382.143 4037460.721 2157334.688 4155341.954 3644962.408 3650208.205 Dihydrothymine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Dihydrouracil 696015.5804 348109.5594 176959.3985 418779.0588 405743.8257 368803.9871 370733.9472 317039.4736 275629.4665 279125.1612 275419.986 726584.7568 354980.1781 424790.4454 405785.6238 329373.7037 678725.7993 277093.0271 341338.8842 306140.4223 675342.6511 370311.3667 411388.7864 362365.736 270180.0752 537002.6963 101070.3258 307139.0829 295670.6984 277872.9367 734265.7405 391503.0654 574987.8695 336093.1718 465491.6069 540721.7368 183419.3827 246097.8047 282150.4063 321421.4218 450851.5651 686471.4403 383653.3552 339122.0114 676195.9818 322722.9487 316403.7278 465850.4885 271654.592 479495.5624 704678.1774 377694.1631 376018.7069 403368.4943 366931.8247 635686.8186 377144.1338 192781.1206 386995.2966 694886.6004 337349.8944 377362.9552 298501.4909 296720.9485 225633.4164 325184.4314 305941.3457 176586.606 233762.0225 287613.7246 682611.7057 341459.5936 211353.8831 431588.9523 256735.2691 492200.5514 289223.1431 374205.7604 628711.9765 343439.2379 202366.9902 337557.3591 356382.0939 316367.8997 541102.556 429124.0763 632541.713 357607.363 5-Aminopentanoic acid 152713.897 140153.567 83097.55968 138189.891 159481.7456 94127.90544 148743.1544 141378.3048 130788.2528 122034.4216 118749.4403 138898.9317 142213.1174 227533.538 223595.4489 122185.2535 124464.5233 170260.032 204343.5643 121739.0925 136404.8827 149682.6559 104897.834 90501.46029 116193.3347 156294.2758 140995.3927 112334.9358 178985.7792 193240.8388 127388.6603 153577.0193 147411.7179 86064.34395 155472.8478 113994.7271 137236.1193 187069.7404 158944.6779 69087.52323 158222.7233 137585.1691 145062.6241 111962.0448 116411.3676 146885.9227 212242.3212 154538.5311 180769.7418 126208.9891 122207.2047 128567.7892 103914.6515 142559.4055 161022.6035 193217.0884 61100.30542 41938.60307 113857.7908 123999.6177 140155.4086 215096.0022 182136.4092 208027.2864 159013.0179 153118.9818 167440.8581 129140.3785 112226.5155 81917.88573 146194.0315 126807.363 107912.7541 212775.8757 133952.581 160061.0503 111636.8895 106444.5109 128623.7724 128693.8892 60480.40799 138950.5355 175966.0514 92681.25264 97693.33833 173025.4009 134037.6735 148800.0878 5-Methylcytidine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 5'-Methylthioadenosine 7452.860584 5737.093543 2983.557973 6364.928692 6728.382485 7721.978662 5250.511548 4918.870182 7370.003468 3974.035435 4900.445013 6222.335649 5928.686886 5683.1282 4756.194632 3743.923184 8111.557401 4909.682682 6363.631627 6142.792309 7155.196884 5634.649592 3879.885144 4832.198425 4532.592291 6016.396256 1597.640512 5409.923482 3994.251108 3807.62941 5700.796701 6428.209057 7718.912387 6480.809861 6120.74814 6409.910664 5914.758897 4725.527866 10036.0815 8017.257433 6747.585666 6494.570622 6355.906255 4748.235766 5100.578543 5221.894997 4277.35927 6200.461615 4783.769219 7484.488142 6539.031178 6611.699661 7842.481397 6345.318244 4738.372623 7826.16945 7657.012695 6387.262173 6537.444666 6501.160663 6303.054118 14205.31757 10696.41792 10020.60583 11600.20896 7126.046028 8724.533213 4510.043828 8672.216814 5594.00513 7426.051967 6558.141916 14145.88355 2542.093608 4843.525948 15133.75421 8350.701923 13846.68979 6029.99451 5746.051815 7480.744294 5935.946863 6178.103863 13396.68459 7338.005493 9975.862488 6160.329853 5571.871493 N6-Methyladenosine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 7-Methylguanine 136409.1601 178660.0066 150727.9838 157411.0444 197080.9668 178727.9996 175570.6527 158398.295 199276.7947 155198.9073 225765.5725 135196.3583 177975.7086 191295.723 178507.3592 113167.2243 176955.4678 157011.5887 206941.5518 193325.473 130822.3155 177504.8891 154922.1006 328982.6312 144015.3333 211699.7687 139348.2202 132770.2097 176312.8383 148473.1996 132126.0431 180358.2561 205537.7422 175874.0794 219554.6782 225738.1737 199553.0474 182013.5808 194839.1012 169365.7429 173859.0789 134654.494 180241.8866 131636.0195 169266.3824 156407.3951 295499.458 153757.5748 161447.4442 195035.4276 125939.065 166586.3979 163720.577 148480.3334 156691.5694 150711.4973 166169.055 198989.2531 176949.3432 125564.7488 174561.5001 169262.3782 224924.3017 153284.7556 158479.2362 139490.9816 209342.1833 82649.29303 162937.7754 119876.7725 129928.49 173274.14 208663.1823 162627.552 211257.9823 164913.9895 124691.4243 189089.0608 120906.7902 163861.7135 148818.314 118723.3993 186782.43 176760.0397 160302.7381 118954.2899 120433.4228 168431.0379 CAR 2:0 20020104.26 37034064.46 57122991.89 14649556.09 40602351.29 35055294.42 50672377.46 18330898.2 33007912.95 40023944.13 34937815.16 21503187.28 35332194.82 21593496.38 54200900.32 16062790.21 38864489.2 21779117.95 20716552.44 95228642.96 21205345.63 36641170.4 55898951.9 29403563.89 28197853.25 35906342.23 89031821.67 46161654.24 34752590.03 47593919.39 23062000.75 34962928.74 22053444.76 20879953.22 22382292.91 30627028.36 34304336.94 46764430.8 40218325.82 56611232.54 61337178.52 20476245.12 38576652.8 32094580.18 20506157.39 25492893.61 52672347.02 34896128.85 31138348.3 27619184.31 20534380.45 37396671.25 24367512.59 28708880.08 30321979.23 31777142.04 19906865.25 12699968.02 39012346.55 22555442.62 37872306.41 25280386.64 32321995.86 29865372.31 36898171.17 24237247.6 23713524.49 8859185.811 29522605.26 14670559.64 24854512.06 34389081.67 25403455.58 32729622.68 33281818.42 20371183.15 29069788.92 25234423.51 20213259.8 33254244.33 17502924.58 33314198.16 27969359.19 26869896.39 18192232.93 29939582.62 20877051.5 37037559.64 Acetylcholine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Adenosine N/A 347276.1926 15355.36642 4408935.251 N/A 10567.59307 10008.56752 8288.870346 N/A 28151.31073 38003.50363 N/A 315504.1465 42716.14599 25349.06618 107302.072 N/A 28009.02839 9584.654989 N/A N/A 318925.2042 N/A 166650.5856 N/A 34886.22424 N/A 8797.725122 311065.9632 N/A N/A 354444.8454 13647.40984 19318.71936 4573560.773 N/A N/A N/A 30061.60152 N/A N/A N/A 331655.8871 N/A 11517.28768 24732.94949 45815.17672 36777.03815 14526.06646 105926.8536 N/A 322689.0177 N/A 4257152.769 N/A 20546.68664 20884.16502 27024.52604 34796.96428 N/A 318559.3872 19323.52625 43010.39804 8240.888127 8334.13907 10747.15241 47172.7135 N/A 8622.774424 8148.299592 N/A 318687.2208 49778.7356 N/A 4613098.673 N/A 31602.98978 39377.11079 N/A 300614.2252 11037.06296 N/A 9037.464743 13959.34584 N/A N/A N/A 320188.918 Agmatine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Alanine 6947777.741 5524201.896 4143725.604 5778333.847 5319705.919 4510872.905 7327189.579 4246949.422 4181125.859 5905810.236 5635780.837 7071905.364 5699840.975 4913764.647 6521488.455 4724227.341 7017610.272 4997384.155 6097592.075 2537815.954 6741076.817 5642704.598 5464573.836 6197525.237 10003928.84 5733351.674 5932019.284 4997957.697 6926996.034 3850224.06 7666607.801 5574112.562 6633262.61 3359359.286 6284866.027 5449073.84 5975115.268 5001020.164 7957802.262 3603924.659 4121263.275 7134830.361 5516427.364 3785187.803 5390892.47 5108874.555 6716739.318 8549619.903 7535457.835 5374989.803 7106012.731 5584932.353 7878982.409 6250367.52 6438653.205 5883413.59 3336686.567 4284496.939 6348846.468 6494988.563 5600849.493 5654786.694 4806788.666 7320973.551 6111453.977 5630900.259 6863070.133 1822381.809 4769230.13 3783675.346 6909374.732 5855419.812 5656002.732 6800141.121 6244460.23 5108222.397 3802048.217 6316025.406 6225795.19 5316629.53 3842040.533 3863896.235 7784091.584 3611898.563 4268816.156 4799373.479 6365352.825 5376985.549 Aminoacetone N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 5-Amino-levulinic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Anserine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Arginine 49994509.44 18864012.18 14123619.22 30717622.72 18530704.06 16497952.45 19656632.49 18724282.97 14222025.76 16305181.7 18477790.41 45325797.4 19569084.25 26791824.85 26238821.5 23408481.87 26729277.85 23865677.36 20120342.7 14078739.98 50361867.83 20534646.04 24615421.34 11743412.82 16753998.02 19529550.47 20360198.08 8906006.839 20757167.85 20422552.01 54397386.22 21522126.65 20543826.07 16477468.26 26786791.23 26182886.01 15078627.61 22128672.77 22028538.1 18321673.41 15280431.58 45813792.02 21740236.24 18148055.58 26138571.34 24418206.87 33020317.29 25925334.53 23635262.87 27761503.36 47808874.5 20998040.63 22521641.05 23477712.93 25752721.73 29915210.58 15999488.22 10604518.31 23268029.36 45980245.4 17632196.34 25590506.63 14166878.18 33242745.83 23107228.57 17110881.83 34322043.85 10333914.69 15123600.25 11396271.71 50767824.41 20912654.62 18297131 21731629.89 24515407.32 17176017.79 17782860.94 27630190.15 41640675.26 20314224.19 15322741.07 20779422.87 15315041.32 23776152.19 26042514.47 28782242.43 44140654.44 21101515.39 Argininosuccinic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Asparagine 1512098.095 1176076.521 1198058.175 1436131.751 1205905.104 1020069.385 970746.1941 1020872.976 1010327.282 1310658.104 1199660.548 1410412.556 1282876.267 1404947.597 1683431.751 808472.9946 1029600.786 1529447.556 1310546.083 986731.8266 1508524.233 1173893.47 1617661.187 1169736.429 1335071.174 1211159.357 1087925.685 952793.0546 1190138.93 1222706.759 1377397.729 1289419.659 1102453.502 1018752.295 1054154.163 1399741.138 1039879.823 1036652.263 956419.0982 929341.7188 1148739.941 1391906.169 1150996.375 1196916.683 878502.9612 1240103.747 1443856.745 1701223.032 990129.8875 1541098 1443552.287 1182878.663 1118441.618 1071742.854 1019976.971 918451.2757 1076256.748 763641.3803 1298490.146 1386690.34 1213306.711 1187066.888 873578.9179 1464981.383 1068425.852 976156.3234 1512426.567 542977.2192 1227190.241 830868.4072 1501382.867 1111607.533 982120.2801 1260909.639 1060823.476 1104711.276 945976.786 1325965.682 1214354.981 1109440.487 747105.6595 900766.5685 1104271.856 937688.6038 841815.9876 1060215.572 1328872.278 1062531.688 Aspartic acid 2199631.581 1069853.012 774807.5013 1212813.388 1141644.795 1159482.931 1196571.453 1033916.367 1096550.206 1101161.904 1500418.036 2523183.422 1107086.849 1273543.574 1033282.788 1064944.561 1085906.493 1267092.135 1086360.097 1096593.228 2321527.52 1183376.498 1097989.597 1321170.299 1111041.262 1275378.702 1074044.622 1123449.197 1138917.055 950000.0639 2669993.798 1248585.257 1366395.671 1092115.446 1169549.837 1109270.033 1105554.299 1141418.699 1229036.918 1041982.768 1312076.388 2468220.083 1223820.213 1049831.932 1174389.752 1111507.528 1313212.546 1713189.401 1065427.041 1175482.954 2451769.757 1239540.288 1195963.871 1207913.619 1084391.533 1131133.688 1043574.154 1433353.792 1331161.27 2109141.12 1007770.301 803930.8748 992273.8882 815935.4754 908350.7071 999630.8235 1065399.164 914014.5536 964649.4833 989510.5461 2266901.686 1044703.528 1227875.688 1083103.909 1052055.213 914960.3893 1693197.141 1456233.768 2318329.379 1024040.518 906567.408 1011980.694 1005407.271 1111270.038 1117981.922 1185583.31 2347341.084 1085544.009 beta-Alanine 78621.97937 45520.83723 41329.96576 47371.5282 41871.84323 34452.35261 32860.39768 45575.58875 41660.21881 61904.11097 87768.60968 75206.72761 41672.13123 60716.69608 70227.09161 23526.08609 66774.26047 86179.50386 44968.36114 29927.75226 64780.51179 36823.79896 73302.69262 36037.19179 51782.95943 83218.81677 27921.032 43031.88714 35815.4334 33670.57473 77935.46259 54826.58416 82938.86185 61030.85041 43963.16831 48264.87391 33510.84731 45212.29343 111077.5753 38783.14221 56525.96065 80780.41514 54378.38291 42204.14411 55226.06842 39626.13956 90600.77841 71995.26977 66717.42498 55670.16696 73969.78596 49846.51181 41966.19664 49006.66018 50429.46424 63747.41835 57395.28788 50919.43108 95169.26668 69445.55079 48814.16238 50228.28472 52994.85552 47214.00131 49508.34102 35413.84845 90868.75343 25189.67676 27132.33947 31073.28652 77778.24574 50095.35012 97836.10635 40901.58103 49228.06198 52612.63553 53425.46283 56464.79027 69533.83383 51129.95331 50722.07353 16405.5053 58041.47741 41482.88929 31193.38387 43415.65829 67293.37376 43937.40325 Betaine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Betaine aldehyde N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Biliverdin N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Biopterin N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Cadaverine 104991.4119 72620.6038 90114.5393 80488.87857 64804.48406 78161.1287 93263.98245 73606.99905 87805.95258 86099.99938 87244.64207 96889.43484 73064.31205 119199.8672 85953.77671 119477.1402 94621.59058 85856.07106 91193.66974 97194.53328 88195.55382 88130.40584 74760.79778 91605.49192 82707.9584 83518.09115 94753.90665 87399.46685 116022.3928 85451.004 91253.17148 98497.54606 72860.77703 81097.78504 93438.14693 74007.83561 87020.4519 80196.0243 93605.59978 82078.46505 86071.02347 98148.75523 99629.99031 83502.09237 86444.4688 101492.8523 94384.27026 102997.0018 85140.83399 82801.72694 98839.07999 92062.18037 99834.10622 88393.4112 103762.2909 79726.36107 78915.5384 95195.4132 92372.95367 96856.89932 84602.26391 86829.43544 89222.21762 87522.56625 95536.75781 110436.8694 95379.76119 88990.07296 80155.79744 103185.879 95336.32018 92502.03895 81549.65101 111848.344 100668.3794 73405.88022 81417.86892 84535.61214 90045.79547 83584.32336 79389.70079 75603.8007 101666.7659 75766.65272 82052.73783 92736.16992 98407.90651 90117.92536 Caffeine 5381426.777 2216685.58 69548.43692 2318980.523 7389036.28 86695.10377 4956787.481 1343042.462 4242158.398 17598.47117 489521.1614 5285730.89 2183313.346 1197951.526 153514.7313 2403840.318 5367117.709 1716667.548 2223210.345 406870.8832 5045094.614 2113664.795 501494.3203 794782.9316 1209312.83 8089977.354 677883.6088 112911.7221 29996.12754 3887765.963 5072572.5 2209453.55 515685.3335 46639.11021 1013649.049 2213436.235 26535232.02 3051539.423 1700327.606 190703.76 2837044.461 5038159.168 2248201.472 10361.55262 68867.29829 13095.0783 5140608.332 793851.032 5802792.648 45572.26901 5042466.056 2079545.563 1606429.341 733816.471 1435967.804 329051.1625 41828.86289 827866.6054 1026923.999 4982033.977 2145538.192 573113.7109 110799.3643 5552369.577 930710.8176 2757490.796 975952.7176 34322.77962 83042.13089 2184824.408 5152092.512 2151407.402 2449778.561 1199855.283 2023716.209 731722.0557 602722.0494 261053.1658 4550629.382 1894016.836 42930.18605 3941948.949 289208.2958 295260.3382 176933.8928 4806445.975 4623179.531 2095383.196 "3',5' cyclic AMP" N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Carnitine 26006566.59 27099618.29 21679455.63 20732392.93 33464387.14 33450030.43 37381597.37 18341894.27 21140726.95 18553037.19 35890598.31 25979276.81 26887447.96 27592516.89 33574603.82 16752336.29 26231222.87 30453264.94 24576546.42 19698428.4 28385497.63 26271177.48 23274247.49 19783507.74 23444262.91 23922473.76 33141313.79 26781497.58 31341534.26 19464467.52 27246306.41 27655300.47 27623530.5 18956858.88 20080718.96 29216409.14 24566727.23 22810355.77 34324946.01 25571524.42 25452344.87 28549798.97 25354521.75 20722581.61 18628466.78 18571093.71 38474354.32 28098302.42 21475850.42 24074668.62 25071229.23 23657460.29 27367556.27 23135831.51 30875763.47 30133853.01 16204486.27 9104768.969 17967848.11 26248939.86 22992613.27 35766552.38 24064710.9 36136182.69 31288959.27 29463509.12 33671912.44 10658635.65 28087055.71 20353066.62 26027373.46 26194008.04 23243576.62 25132460.8 24994206.9 31899585.07 26218104.16 28249917.06 23810451 23630007.92 18800230.53 27794659.55 34104508.86 23153855.07 22642454.21 26162920.42 22639497.38 23690300.1 Carnosine 810627.1814 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1049813.743 N/A N/A N/A N/A N/A N/A N/A N/A 1030954.459 N/A N/A N/A N/A N/A N/A N/A N/A N/A 1004474 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 873879.2672 N/A N/A N/A N/A N/A N/A N/A N/A 998427.0648 N/A N/A N/A N/A N/A N/A N/A N/A 822284.0461 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 956649.7046 N/A N/A N/A N/A N/A N/A N/A 935123.1488 N/A N/A N/A N/A N/A N/A N/A 985096.953 N/A CDP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Vitamin D3 35615.1155 18595.76086 9332.380986 10873.97344 12469.13088 26332.37673 10666.41904 10042.60391 14284.96742 10211.361 9675.413313 33459.14511 19568.43379 9230.18373 12496.16873 19793.05146 11647.34537 10326.06113 12153.21868 14104.19457 31092.26956 18224.6729 10510.9201 10930.50727 16022.91621 11513.80001 16874.76976 14760.11015 13152.07062 8622.899559 32798.58344 17977.87999 12311.45766 9494.675666 14219.65161 13658.85939 14713.00861 11998.6325 17138.38131 12149.60056 12222.5192 31948.06607 14558.7123 8367.880975 14902.72869 15388.019 13549.08959 19545.64145 13163.65568 12438.40738 35656.8521 18687.48608 11079.22522 13155.89951 17466.83104 17805.79789 10376.54565 11556.48373 10719.65443 34857.35814 18750.27393 10613.23919 15198.83386 14950.97372 13145.53474 12568.74631 14538.673 5898.058798 9960.410221 9661.957045 30190.71271 15107.35981 10726.36452 20117.83341 12170.27367 12632.50397 9708.927461 8972.312118 30595.60372 14817.09876 10272.50684 11857.58762 15363.42078 10802.43484 20017.14008 18780.36132 30732.37197 15649.23965 Choline 21905071.23 12453443.96 8724457.053 7780023.253 9846174.182 28444226.52 49458316 8607597.162 9129780.49 7616696.963 9778463.628 21437882 12001998.55 11181660.32 11351990 8498272.69 9816423.481 9825497.718 13958918.87 12491196.32 20839049.89 12200494.8 10351910.05 6788200.301 10388334.73 12561910.83 11533907.57 13197012.77 12496017.92 23818589.15 21086792.88 12631042.75 10910108.97 18704529.69 11408770.99 5738038.87 7598200.878 4982434.026 12709322.94 8990868.421 13632608.22 21009052.64 12532827.26 7849183.082 8201338.79 8878740.112 13417610.09 10784532.22 6690825.594 14913780.87 20257807.02 11948575.85 10779399.48 15230073.28 11920661.96 8242153.025 18197060.22 4181673.439 9092048.499 20899795.78 11660672.01 9759334.63 9138041.087 14797097.08 13112649.88 9243314.031 11330923.98 4116244.119 16551520.06 7131554.145 20645643.82 11750439.22 8147522.785 8447069.433 10070440.43 11106134.85 9803008.818 13575359.1 18036242.82 10684438.87 10390352.36 7329140.229 9043858.177 7479659.491 27865737.26 7679824.677 18503023.66 11243034.39 Cotinine 599255.9879 684200.6324 1322205.663 N/A N/A N/A N/A 670685.3459 N/A N/A 5054389.649 568246.4746 648041.2515 1812685.997 1634488.369 N/A N/A 4054561.315 N/A 24627.93899 513654.6417 628806.8474 3882.399729 N/A N/A N/A N/A N/A N/A 4079.213523 537785.5155 685177.6873 326950.433 N/A 2241.04013 3430915.692 N/A N/A N/A N/A 19012.09472 558703.7738 636919.1106 1275.013374 N/A 1625387.824 5434.575422 N/A 3364969.334 4931601.575 554994.9597 632587.1429 N/A N/A 87235.74864 N/A N/A N/A N/A 537154.6818 635441.6408 11004.45828 N/A 190760.1444 N/A N/A N/A 395440.5467 424062.3971 1179129.861 560896.7793 639206.7934 N/A 1857.500699 8931667.135 751765.4207 N/A 2409.198597 489862.8054 574667.4941 2763.152636 N/A 333355.6762 3278887.555 N/A N/A 506220.919 619103.0937 Creatine 13780803.59 10294375.57 3269546.2 4874539.327 15241102.19 12264867.06 11940882.95 4654593.601 9272548.364 6394488.892 3535868.382 12952079.73 9363203.276 8097259.529 4374414.865 4671605.464 9318819.928 6718392.463 8793292.48 16087326.8 13660215.56 8913305.992 30145794.51 8347732.179 11455995.12 9432796.603 7531379.549 11794203.55 9589659.808 8517614.527 13623373.34 9868592.63 9677180.326 8909636.976 9396058.244 2514327.726 18006792.04 5080012.126 6946054.905 23844496.83 13497479.51 13298793.51 9732258.728 5160567.421 5213431.354 13143473.32 13498413.44 17539061.34 5617689.734 7180777.093 13558846.64 9781292.795 7429439.252 14188717.7 9445790.102 8857010.678 8675731.93 2219098.768 4997587.589 13022776.81 9047518.852 8682820.445 3791587.006 14288750.21 5768054.677 6271715.711 10860587.41 3397567.933 17754110.96 3487238.648 13547923.13 9510038.613 5341446.344 7258568.425 5689589.816 10254844.08 4899843.609 7479809.646 12456557.04 9257739.931 7852962.974 6709415.718 10912923.01 5290078.465 5578526.814 12569119.27 12262952.43 9843662.968 Creatinine 11026296.12 13675223.27 9672287.786 12443755.01 13874608.19 16205461.94 12284358.21 11082291.57 16405287.98 15317221.65 19473970.59 10331923.84 13041792.18 13382532.44 9016185.477 7201794.16 12539103.03 11035340.39 16095977.83 12614188.18 9975662.351 12799426.47 9491994.333 13238037.48 10843092.42 14460916.3 8772797.501 10908471.63 14149486.42 9590141.462 10439242.3 13495431.22 16544633.61 16449024.43 12560461.5 10657821.32 11983364.23 8711616.081 14752677.13 17075533.84 15558209.86 10125664.6 13050353.03 10587317.08 12575242.78 15371925.92 21468660.24 12871028.35 15631475.57 11836015.32 10140817.1 12562654.42 11364480.99 10983863.03 10451456.41 13716691.64 16289631.48 7498023.009 15098332.37 10160035.49 12484336.15 12322715.99 17258542.36 15769689.03 15340161.67 12175521.16 21411525.85 5045701.804 11952268.66 8377619.413 10309270.63 12761887.33 13633247.33 13092442.91 13688847.43 11251635.02 11225464.41 21707429.64 8890042.712 11568591.92 12236731.01 9792642.696 14656911.79 14621690.6 9473630.251 10715735.91 9305550.966 12355257.22 Cyanocobalamin N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Cysteine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Cys-Gly N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Cystine 228355.6112 1220624.184 1371606.996 1586651.91 548470.0681 526922.6415 720334.8087 857941.6771 375360.6579 803152.4104 848910.0356 326022.9861 783154.5773 783322.7483 750299.5875 1474640.818 1111780.824 977161.9794 543634.7262 216892.2587 310163.0553 778439.8088 600245.7692 1238980.764 267531.6578 1123372.507 89460.41877 454977.6523 778353.2301 812718.7703 317834.1331 731554.4692 358937.7954 1247599.979 2860695.844 113225.1064 171212.2884 162242.2191 850592.6486 1087162.758 602441.0727 339981.9906 687552.6826 533283.1075 947219.9608 1116492.283 576051.2266 640007.3391 868003.0116 2609816.324 277324.1984 713681.3699 351142.6125 2300273.396 854166.1218 544421.7198 1098843.688 527058.8872 1142333.474 253118.6901 951518.3457 527257.5437 628094.9996 484482.187 339164.1803 721715.4034 1158611.653 128311.5232 743320.1622 561408.1173 300647.2304 614859.021 955266.0959 136907.3197 3190567.474 265223.478 491906.8192 1017880.879 291762.6535 546057.9611 270909.3399 961947.7136 382605.2907 451906.6629 161562.5533 312069.2788 284440.8846 673070.5873 Cytidine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Cytosine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 3-Dehydroxycarnitine 147626.1676 168190.1891 114574.4686 156336.4631 134810.495 108125.8143 219421.5488 93853.17084 104775.3771 199990.9488 229568.0045 154830.373 151299.3765 150452.3362 198755.4045 74640.06207 163216.8047 119210.4382 147895.5917 109412.0594 133402.3791 150937.3909 123175.8489 67337.422 116162.7925 186453.5724 116956.9804 95729.11777 173819.6404 116581.3183 152474.7479 135992.2503 175341.7515 127425.4654 151104.9976 135213.1169 93624.40017 83301.52633 121222.56 104184.3025 190217.6091 136835.3188 125697.3457 140576.9218 119087.3297 99462.09221 205547.1499 151334.4881 178863.753 155409.2882 152435.6434 126779.6931 141560.2426 140957.5275 145536.8144 171118.2482 127086.9917 87327.45 156325.3055 134967.8991 149725.3973 148741.3103 193446.6701 129331.6585 149441.5261 137195.0329 176898.7354 61710.40174 144564.4793 116827.4463 139540.8131 152364.0596 144338.297 148568.925 170727.7359 171002.9606 155997.5602 193173.8246 115473.3313 113554.3426 94761.92295 108527.5467 139311.0462 160763.2104 77028.4684 125484.8183 115419.745 129934.7483 Deoxyguanosine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Dimethylarginine 1204702.412 881627.0277 824802.8373 1331082.187 994051.9242 1013122.802 953469.969 794044.4128 1123005.07 945311.9945 1066591.258 1310959.537 1002980.783 874261.9299 1054778.028 789930.5359 885564.7481 805186.9881 1039812.284 1147681.943 1282253.102 1014736.131 969839.039 1800254.14 777089.0498 1214870.609 911681.2865 952535.9452 1367851.473 871199.0914 1399882.653 1112082.787 1121591.599 1414993.871 1465408.308 936687.4739 836033.3801 875584.8357 1000852.059 1687504.796 1329687.35 1241559.629 1053160.449 888729.3469 1012677.774 1099126.496 1291605.331 1204583.404 975992.2879 1962825.828 1337309.256 980670.1724 1064905.977 1360453.289 979223.9692 1107369.518 1317653.869 853973.1643 1336382.372 1269201.762 809437.4275 781532.3312 1039837.408 997985.9311 934395.751 928957.3056 1552092.165 371869.3234 1034799.435 741609.7612 1284322.464 972753.3012 883494.184 1262499.045 1919332.381 842592.6102 1111145.832 1568974.006 1220050.579 913140.7016 1104301.222 803048.3957 1198407.23 1079644.415 1066152.164 795790.0308 1149196.582 958568.4256 Dimethylglycine 201466.5577 260274.0406 166351.5724 233714.8131 419706.0989 218452.5463 427218.4248 248319.2963 284239.1595 231170.4743 315205.3312 253277.1724 290682.425 332164.7688 220457.5657 163545.8014 261345.0959 473881.6037 224097.8379 222856.5717 261499.9034 270639.3133 390236.6955 286740.7664 165012.9109 278788.8007 272589.9664 216042.4606 270932.3899 248656.0855 265896.5231 297554.461 494949.506 398988.9556 230446.2189 290596.387 263823.2611 163068.9118 343234.4882 334539.6393 294563.8686 248759.341 289570.2226 125397.4629 270439.1889 230707.4334 296735.4368 219333.4249 930903.9427 395385.721 252989.8583 246449.4455 268601.8769 212690.5738 349969.3715 138905.5645 346554.9098 206175.7074 208415.2055 258183.6477 272560.3374 9299117.244 297558.4364 337643.1101 443339.5458 279908.932 274532.7872 172080.3471 232977.3725 119179.4525 257831.9529 285959.7514 262331.6437 568935.6873 255964.8531 253679.9601 218460.5769 292767.7379 223472.4506 267757.5236 268977.2423 216251.7508 348254.1108 352004.4267 223692.3309 245782.981 277608.0974 273239.4063 DOPA N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Epinephrine 326018.0424 251648.8109 251494.8566 305387.8773 217742.6542 214229.0947 271690.9369 233668.1818 233675.1362 262248.9076 298583.5883 307880.7099 281528.8715 287037.3642 283074.6186 311710.6537 285044.7816 243121.4968 289313.2072 284622.4816 314176.4055 267494.1631 271631.4213 395810.6851 297923.9697 342542.7947 302310.5635 287587.9593 362760.1537 275562.4977 341886.4853 320639.7886 310574.4398 321326.819 349648.2731 300389.1417 252595.6129 259166.9155 294268.2931 269060.4242 282018.5499 298663.7537 307543.7539 300212.1423 274524.2334 377687.3189 333360.7953 351602.8888 287065.6017 289487.5537 296326.8122 308581.0292 273049.5255 310269.4382 319290.3398 270660.0206 302569.0118 354258.4617 283248.6735 288480.3902 283241.0383 264758.397 255478.9133 312898.5358 251011.7829 307080.7063 364589.6068 276073.0958 264779.8404 244510.1954 311932.1152 256774.6958 262374.4936 296993.5926 378696.5132 246719.8391 240582.462 327239.7416 306377.4171 264243.194 251163.981 248140.8483 333021.0221 250603.9259 279382.0621 271252.4404 296632.5108 289240.5656 Vitamin D2 7542.117731 7920.880622 3260.832861 8154.946245 11433.70198 5686.620855 6933.533681 12275.3872 8916.377614 9699.542096 8409.828307 6138.884568 7121.46132 8638.200252 8918.556882 4231.731644 7935.008891 6392.647097 6835.756162 4955.05343 6165.008624 8098.296538 5319.727001 5919.584054 5721.718167 5882.551266 7106.09066 8376.571559 4123.102983 6504.694003 7240.538753 7924.029735 10286.09682 2950.039555 6036.755806 10760.10926 5100.107964 9719.356986 9594.343802 3183.018642 5737.196568 6967.592776 8528.230894 6415.712543 8087.226835 14740.21913 7479.69726 7846.254701 8379.61931 8815.267868 7713.529381 8314.687074 6471.994973 7501.988504 8947.711214 9894.033424 2579.998894 4109.083487 7766.199667 8175.065441 5993.665937 7590.460055 7342.639601 4788.393347 6501.800435 5360.998828 8637.240185 4799.192623 8190.127602 9618.136368 8006.445829 8277.497537 7335.115333 7579.103449 4205.722883 7694.635392 6045.224051 8861.282547 6523.460007 8261.331994 4121.537173 7676.446831 9317.247203 8717.119711 8480.894488 7333.750611 7096.16088 8291.910616 Ethanolamine 50315.60548 28484.26068 16427.72998 34153.84503 12794.72016 22423.34442 29027.4753 21761.54837 30996.48597 42970.27919 33451.69699 47001.97981 28504.95325 25100.37621 28402.0129 15486.976 23117.6335 32591.03332 23089.96229 18609.84043 61855.91678 21147.21706 19588.36666 24019.47148 25805.00129 35290.37318 49193.42021 17486.81154 32139.26888 18639.57002 57597.41038 28667.10931 34737.386 31297.42177 39515.8923 25288.19858 22780.50354 22387.6278 31201.93551 21134.14153 35904.80944 61144.70533 26514.9294 21848.31822 21680.81534 35681.68118 27221.85344 35728.17873 39958.81875 26630.50228 49902.38523 21329.78873 25326.15268 27439.32542 35952.04537 34767.79151 24408.43472 18594.69468 23803.94613 50261.47703 32710.74395 36512.78737 31582.76357 35411.77153 49982.23621 27037.97102 50516.17367 17112.08094 23671.8877 27452.44245 47703.23806 24597.22763 26929.77776 26818.93623 30987.23667 36265.66131 28118.02934 35933.66157 50113.40573 23901.02075 12984.54087 25507.9864 22158.33517 32311.26598 35801.42127 42546.31633 44047.29764 31270.79934 FAD N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Folic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Gluconolactone N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Glucosamine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Glutamic acid 26809288.1 7563793.256 4787380.936 8679474.489 11109029.85 6360105.733 13521383.41 5446865.07 10253334.43 10052174.49 5808067.445 26432588.52 8234588.068 7339627.983 5010141.81 3963435.808 9142243.432 8385094.158 7876302.323 6567266.327 27620945.97 8713611.374 7161276.449 22703564.11 14990578.58 14749851.36 8487132.81 12429615.19 8631704.339 3950502.731 23972794.32 8581564.438 10729971.2 6291986.91 8298236.574 4519870.085 5772377.784 4741240.664 11485010.83 16737141.65 9976663.577 26214095.42 9863473.03 8823271.895 3565167.377 5182901.906 16953831.09 7402181.504 7617202.172 10100998.49 26047012.48 8530354.586 14752719.58 6485873.584 12576252.93 9274675.399 5730863.59 8567028.92 8256657.216 23644777.58 7176702.846 6533688.576 9664070.467 8713799.848 7340134.657 7111934.331 14312415.86 2900026.159 10316032.92 3794338.123 29514484.87 8348772.03 9905162.839 20473057.97 13000479.16 11191193.83 13338395.53 8490094.384 25267794.33 8262160.356 6302498.1 5801043.109 14484194.46 8319599.958 8431945.123 8986050.017 22983578.9 8230880.406 Glutamine 50859556.73 70932479.87 69268833.37 73294387.24 70952051.38 59901625.89 64384569.93 63749890.17 53607274.85 78980780.84 82515634.83 49653675.38 69698240.45 74634190.09 105273301 42035332.96 57023003.24 56886155.08 79158523.45 65417244.33 48692343.89 70860875.5 67301128.56 60984310.33 58209781.01 58839735.23 70167658.46 52593219.65 70356680.73 57925620.31 52435085.93 73163243.81 82152325.39 61098815.5 62030528.94 100093791.1 63385208.11 97914380.98 54562744.61 65684215.29 70364889.77 48592338.04 69040706.3 61545040.32 63006395.36 76811724.41 68894854.34 80134114.04 66819090.45 88560245.3 50325406.14 66860275.6 71633146.21 62699189.98 72181948.82 63188143.43 65691589.05 60714559.53 70275750.41 49215452.36 76693471.26 67687935.93 58861680.67 86500592.85 74579599.61 64385758.47 79856138.28 35528510.84 69155470.08 53539667.5 50347485.62 68593343.33 75830895.1 65603921.33 81773303.63 60189186.14 58423790.17 66066688.39 46429906.42 61457759.7 49194323.72 56063583.39 76514763.56 61115869.26 69773100.94 53141355.7 47253577.77 69355486.93 CAR DC5:0 167119.6335 354243.2237 282265.961 439148.277 665732.1548 1074174.189 420053.4847 606310.3317 266369.9637 1066354.243 978069.191 327883.8468 647163.4748 736472.9455 416572.6507 163885.1833 475123.9817 408010.8372 718544.0695 1036811.1 417986.0018 623608.0553 297198.1112 458113.2983 316261.5833 549509.0197 678784.7566 585660.6522 644333.7991 361572.2369 380349.1216 642211.1433 1250298.35 680081.1686 396939.6523 705827.9355 428670.7931 266075.8545 695160.0848 634059.3864 662164.3011 358860.1981 617322.7404 399076.5442 572416.45 343492.5683 1253612.759 617089.0755 735207.2613 601435.5188 409247.5512 572153.2751 789444.8839 482333.9717 550043.0753 454655.6697 756173.6604 199103.1633 744804.238 294139.6571 588312.7968 601627.7736 590623.4864 744680.176 535167.8396 453871.8853 957944.0607 152803.2912 549263.0944 517733.1313 350864.5563 584175.7097 374130.0275 728581.8788 1474127.104 528825.7214 568610.6768 912509.7962 305355.0644 512892.6522 703059.8079 731525.1471 435450.6958 827585.5153 480079.8738 393118.658 337571.1 632196.7106 sn-Glycero-3-phosphocholine 8928960.069 3480091.963 1281630.477 5700022.658 1192805.249 1395827.453 1995480.163 1810364.021 1345706.098 8320474.29 8209683.783 10103325.43 3253326.502 8701604.868 3708525.79 1017468.025 1025153.62 8381568.758 2090553.166 2177213.446 10427084.79 3067031.636 1923338.069 1743806.123 1328356.879 5253275.253 1075581.384 1802804.586 2173452.438 1021599.273 10545027.2 3584846.239 2797169.916 1980528.028 2204193.088 2174934.808 1364932.881 2684357.975 8605512.899 1291598.396 1502279.574 9777245.175 3327469.351 1203671.261 3295438.192 6608510.81 12890025.56 3222104.048 1734393.692 1927889.13 10119350.21 3303671.564 1103141.345 1789777.667 1552807.982 4893897.065 1755690.742 5807904.449 5568147.134 9772765.192 3179682.373 3633966.673 4458329.434 1883554.34 2175392.083 2840868.241 5708153.835 309628.1906 599134.3115 2315449.862 9578230.497 3324417.614 5399965.344 6504632.245 3044309.57 1551406.865 4700074.14 8719381.159 9089713.714 2881155.585 1170107.84 1295066.822 1779645.534 2097501.975 1360738.118 830509.7363 9560983.914 3167420.699 Glycine 458197.1023 370747.1867 333891.7315 353035.1049 285865.1497 234919.0178 306127.7366 306848.8588 327315.1115 440558.5137 367528.6961 443141.5744 369101.7722 537651.4982 427889.4872 141164.3807 227961.1956 319024.6831 467583.6798 136401.7253 449368.3022 329375.8535 284536.7569 316416.4323 265591.6594 260103.5907 296488.117 215864.6954 340220.9493 382207.9423 401585.0643 348232.292 407025.8663 312127.2485 218369.2589 529479.9571 349498.9338 210528.0525 243254.4481 323268.6428 265366.9427 446181.9528 369625.1047 273486.1584 368878.98 476518.369 326374.3571 462187.1907 504451.7036 441312.5619 489331.721 346612.3383 359022.8744 259461.7185 291527.8001 328949.319 342391.6116 419293.8617 380543.5575 435092.735 323167.383 272437.8727 329287.628 317666.0726 286672.9982 358014.803 356845.4726 191311.7882 390907.4523 305031.2486 455657.2365 357510.2654 238216.7117 456552.5494 281103.6892 286143.6896 307489.105 553038.333 401978.8658 325266.8913 248740.341 278674.2774 409821.9911 458600.2891 263753.2522 274364.2685 384251.0566 359650.8611 GMP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Guanine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Guanosine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Histamine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Histidine 37515342.76 23055668.45 15113806.82 35138449.33 25000884.23 22760231.92 24474366.68 22880766.65 28081070.66 33460528.69 30980386.91 43902201.5 27151960.11 25962427.4 36312024.84 24952053.75 25466612.91 29011844.7 34105023.44 35494611.23 45088595.21 29631369.79 28468042.92 34641815.8 33423733.23 29372914.61 36269215.38 29269625 38615463.07 24040022.66 43244837.33 28448662.51 32500603.12 35381569.93 30045063.73 33879029.93 25902454.2 30073918.46 26100056.05 29929059.29 33676933.09 43394088.68 29676505.16 25172522.26 27883918.29 32199567.59 42838404.96 42904264.45 29327232.24 31574603.22 43298052.06 29128375.61 29173502.76 35712393.83 33904676.48 31625505.38 33365260.38 13424898.34 31051914.95 38176124.64 21721898 21348894.53 24897379.25 30130002.18 32879482.32 28187122.02 39551978.39 12142758.12 25435996.49 24354214.97 44664879.89 29211371.67 22993019.16 35468931.74 35289374.02 25201646.82 23999117.36 29271773.51 40848658.75 27406658.73 18663720.52 30966261.5 33864525.68 24812853.6 27772077.59 31779417.55 42186975.07 27749009.23 Homoarginine 809857.41 556567.5231 363507.3599 802610.9127 878598.0283 747112.6075 562679.9105 360300.0139 487054.0683 376681.5018 656799.6542 797651.5207 597188.2501 272360.6104 386164.8333 1468361.449 543116.7789 611082.3816 668648.497 1172491.102 841071.6422 604531.2477 871793.3671 525444.2626 758716.2574 935857.533 335626.2026 400060.4132 1710834.901 352066.1541 839155.7208 659850.3855 561553.3296 438513.1662 909732.3094 618008.9432 360517.1487 731469.0647 1042617.073 549561.0227 725578.6421 801955.1105 635853.1572 459313.531 326875.656 257395.2214 1238548.835 927718.9853 582856.6343 489662.1468 831332.7199 658563.4544 740915.5974 887684.8752 793743.0817 593476.4741 386703.3076 162972.5305 514538.0106 739723.2619 523625.023 586101.6637 684065.6295 787974.2717 654698.1577 402396.1816 890540.4383 140959.7829 358862.5454 421673.8327 825115.0707 583966.4706 734886.6304 694305.7707 905064.4432 421935.8779 377226.9818 337599.8795 737698.637 530163.2532 502097.2375 602956.9373 792646.6655 336751.3451 865634.9683 732341.231 724573.4887 600143.453 Homocitrulline 113498.9222 140284.9624 104774.6873 207272.1378 125273.8264 302022.5392 101141.6657 156502.6858 187440.9616 143617.8536 133542.0009 91615.56913 184957.1095 211699.2385 61945.9098 64734.73886 198415.4044 96357.00719 145069.5702 288131.0173 98150.37882 147974.4116 81403.30197 304982.505 62239.22155 103299.3541 114903.8012 106008.0545 130027.4189 94980.03313 113805.431 170691.918 108254.1403 115943.9221 106846.6244 109744.5621 54904.37136 60210.62026 157185.0771 248345.2262 168966.8814 82658.97463 156683.6181 85129.15623 91819.65937 445910.0986 188398.0908 115519.4178 137671.3952 176997.8434 104630.5191 137585.0393 158255.4471 334014.2882 136808.8764 212866.9471 144863.0453 166967.993 175792.8498 99340.21594 165806.5545 137358.4849 189154.1321 300587.7565 179322.7876 58721.626 239141.8625 54097.35525 177768.1331 110822.256 83623.17558 146029.04 175479.2176 83053.29498 275834.8904 133695.4193 103851.8704 187773.6564 96783.36938 139712.0575 194955.8758 69909.02941 139916.7024 219453.1666 101028.5653 309344.6368 104963.6023 143043.7338 Homocysteine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A trans-4-Hydroxyproline 2430123.038 2218396.57 1298006.989 1606873.652 1211896.495 2133996.972 1786937.44 1820551.686 2575309.758 980552.8068 2169778.273 2475152.795 2166304.641 4683605.775 2028032.181 1152882.121 2723048.307 1231028.049 2097179.977 2117914.858 2512889.827 2116078.244 3553153.35 2289978.787 2370973.215 1111633.658 2248476.544 1052510.134 3163081.05 1930472.982 2401425.673 2300170.459 2266670.479 1770542.42 1424743.745 2972543.081 1492728.253 975760.7145 1443902.435 1566955.996 1351234.355 2477477.885 2206528.085 1363736.125 2607564.286 2624897.136 2709825.097 4123108.544 2050593.529 2256028.429 2224764.28 2212158.516 2421824.945 4641354.835 1441850.271 3464912.921 1689971.043 2398784.252 2142123.727 2302914.217 2276460.823 1669456.629 1219587.654 3077100.457 1714176.584 1901188.01 4134995.748 1043633.852 1353805.54 1694191.306 2302445.156 2172424.465 1579452.983 1451946.54 1685363.534 4510996.315 1924935.536 7926676.93 2256716.131 2003475.902 1166618.828 1348286.432 1858721.491 2321322.278 2719040.354 2086720.181 2228762.727 2274768.758 Hypotaurine 59910.16813 55444.3662 27927.21096 119807.622 30568.12897 15713.42039 41870.34138 29954.86778 28092.19338 180360.614 87596.30893 68565.27353 48798.23979 166842.3791 63672.27232 17689.31333 17769.09141 131043.6513 51400.56776 53208.86787 53734.54687 65970.74536 22223.88547 27422.15633 21821.4818 102465.434 23899.59238 24312.13682 36944.32774 43502.06105 55017.64968 58854.94162 59810.13262 77527.58261 45850.38278 19854.58563 23157.35062 17075.07665 155690.9321 27503.63079 31446.47787 69638.29165 51618.75784 27790.9283 29099.77735 40889.01195 197141.4806 82751.13331 29993.93781 25534.80912 65845.93543 48484.27258 37544.49636 66838.90118 45854.6775 98380.18972 75572.90144 21757.26443 150984.9161 62505.14995 63193.52779 69397.68913 89944.29514 22835.22249 24744.15161 37595.831 113074.5742 9774.245192 24538.49807 13401.28119 67417.62472 58082.94775 38006.57226 38218.24595 35502.24116 25053.6726 108631.5663 192683.6128 65668.63003 47774.19366 52451.09773 18379.74345 21351.72476 54815.18365 34941.00195 20892.71954 67158.20564 46115.68188 Imidazolepropionic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Imidazoleacetic acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Indole 6296.888653 6180.695491 1744.408904 6795.025689 4329.176509 11449.09612 3473.728141 4006.084304 10324.62103 5903.116811 5686.489098 5427.037939 6203.650465 9917.293018 4423.289977 2619.076002 7813.52208 8113.123636 6112.192132 6868.647631 5403.195499 6205.883173 4634.902344 5103.842802 9423.87175 4553.105052 5645.654431 4518.263919 7866.271093 4324.629382 6045.885971 6860.931608 7367.982681 4791.78209 3865.337575 2091.695788 5257.514713 1434.91455 5086.167082 7890.17118 6794.850172 4860.519655 6259.60516 3210.285278 2147.187165 12765.38423 12337.35567 8468.210984 5577.488917 3340.731438 5373.712399 6091.585881 4173.241867 8620.921753 10787.88383 8835.478096 4767.332557 1637.199654 4833.575569 5230.871907 6974.58675 4418.765976 5151.912716 10560.2543 11988.5689 6444.922692 13418.61098 2115.193266 8666.600019 5529.215652 5878.853503 6214.772207 4060.860803 5365.761166 4318.423548 7489.71436 5137.407456 6022.571541 5729.501458 6342.745402 6304.971756 6193.812599 7811.178169 5616.758787 7694.431641 8034.738211 5513.913256 6559.230642 Inosine 27752.3487 73118.6091 30981.93022 564253.2181 N/A N/A 24721.44572 17712.10998 N/A 137849.7512 N/A 27681.05225 74842.59557 N/A N/A 69421.29991 16178.23581 N/A N/A N/A 26514.1309 75632.599 26854.05578 232235.7334 N/A 19643.0629 21776.81418 N/A 322075.6872 N/A 25011.85559 78212.20563 N/A N/A 475646.6148 N/A N/A N/A N/A N/A 21724.26121 27073.18699 80949.01059 N/A N/A N/A N/A N/A N/A 214186.073 28040.53068 80691.34804 N/A 550114.3864 N/A N/A N/A N/A N/A 25201.48164 74832.38252 N/A 29377.64143 N/A N/A N/A N/A N/A 17026.85188 18643.97726 25160.51905 75723.88883 N/A 29845.63313 461426.693 N/A 13840.74807 N/A 24835.29164 71945.28582 N/A N/A N/A N/A N/A N/A 26017.32765 74287.66085 Isoleucine 4516610.536 1797407.845 2350431.151 3011031.027 2144095.06 1656005.959 1652936.089 1303390.937 1491384.566 1501295.738 1517061.408 4422087.683 2006871.276 1643063.073 2355963.369 3305301.085 2122654.882 1610011.544 2030561.875 2113259.245 4323964.32 1958771.778 3792509.503 3041255.309 2998862.708 3053147.935 1957806.643 2114444.633 3656914.654 1193346.863 4472543.192 2057340.571 1818240.079 1671180.223 2365279.568 2654046.97 801986.9396 1793539.459 2102281.477 1192999.663 2336474.455 4148836.571 2178675.638 2008414.176 1565598.258 2139066.162 3596211.799 2920005.488 1672836.103 2608663.064 4130712.041 1885591.83 2113866.755 4767642.332 2494958.746 1856917.781 1524461.275 1017748.545 2015478.729 4076021.464 1754779.123 1184184.001 1267999.371 2140138.346 1872699.385 1578283.396 2554779.467 670603.9412 1290577.354 1204870.636 4502730.324 1783408.603 1651112.21 2022872.452 3062192.899 2111857.494 1341820.507 2157076.539 3919769.391 1775548.688 801049.0514 1765873.21 2928227.141 1851720.562 1389449.617 2589537.702 3961708.1 1895038.712 CAR 4:0;3Me 1258570.318 1361269.219 651412.9495 1249834.161 2255666.86 2241248.086 1709768.416 558716.2853 1790489.057 1099506.131 1012655.292 1216000.762 1294841.613 1478332.617 1482819.371 948105.0634 1981729.558 1182112.14 1847100.206 1126819.345 1212762.267 1287095.105 803015.611 467819.0774 1117463.575 1780395.421 1323194.893 1762084.262 1500220.848 869776.5829 1233965.813 1334005.416 1474102.469 776021.0925 1189139.888 594951.7088 988039.9351 898283.3599 1246127.05 1123480.86 2596740.622 1226703.606 1395541.098 1365687.373 731354.8122 662312.633 2101364.327 1765251.963 996229.3531 848417.8481 1189015.16 1347153.981 1455078.498 3370033.557 1757554.794 1543715.14 782900.714 262515.4956 1222240.102 1188277.336 1313132.519 1343983.365 1326542.352 1314524.502 1733292.915 2380637.74 2146079.793 358756.4119 1044241.243 614025.8408 1232918.302 1287467.029 1026566.742 1249586.835 713621.2232 2017479.676 1161876.48 1164322.838 1116323.487 1198664.098 580416.1005 1180379.396 1628874.839 805119.743 856310.6202 1774977.44 1141425.676 1284895.11 2S-Aminobutyric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Leucine 26527050.5 19301878.5 18723134.78 17586543.06 22455344.37 16580247.06 17488259.46 13213839.29 17434017.84 14765616.74 15470502.8 26271778.78 19093864.07 15418089.95 21677017.92 15970149.13 19671619.98 15402489.37 21095213 19333847.95 25102081.75 18473293.11 26102050.56 14139591.17 22689919.57 24266135.34 12795135.19 18428305.13 18016461.51 11779683.55 25361021.8 16992301.88 18727037.2 15495399.9 16178179.32 21708429.25 6677661.358 13132136.48 17217697.96 14138580.04 25190650.47 25223317.45 17796041.34 18982905.37 14344475.73 18304313.75 21461612.85 23460780.67 17437789.03 11835323.15 26007799.3 17422191.89 20208005.37 23649021.22 22423964.73 20276917.43 14959145.77 4488729.952 18852894.04 24489131.62 16910350.47 12733837.07 16201510.68 19932131.07 23289720.14 17666999.98 20847366.24 7725800.969 12338142.95 12988481.49 25442585.29 18443681.11 15159396.35 19348848.36 16140740.41 20709687.89 13766332.24 19218812.57 22982225.41 15804985.08 10314289.34 16424291.4 20822898.91 16383916 13861399.88 22770682.74 23657846.97 17357710.49 Kynurenine 92454.36231 139610.091 67215.35601 118276.0728 169424.6134 169172.5103 110964.6516 144044.6956 144254.1733 91062.71681 123931.3474 110314.513 117063.2457 117040.8291 81866.37424 77883.72609 162345.9864 117109.4059 128507.33 119534.7267 128319.1922 117055.9826 87345.19896 122355.4703 79230.62664 184662.1646 46761.27424 166669.2518 125527.8108 77252.26749 115872.438 126695.3018 142540.8589 145533.7805 144618.8964 144921.269 141389.5869 88126.96476 161398.7174 157109.1644 128087.6287 101706.6391 115140.6782 120123.9898 124785.9124 82976.48623 221508.8881 105535.0476 51254.72138 154899.054 120624.8873 116181.5643 138781.048 127310.2822 129303.907 163146.7083 165217.6047 71436.78268 152605.8548 115602.8593 121634.9297 111991.0958 107535.1328 135517.4274 166187.6977 73882.84395 199404.899 27824.87624 114001.9343 88745.50363 113216.8878 123724.368 147355.7048 125780.159 125865.0406 153496.5511 163908.2845 226251.0422 105949.0416 114191.1915 97401.46857 99908.86304 82086.72586 130989.2509 192606.8593 126905.1331 98952.71249 118202.1095 Lysine 32223594.79 21076028.98 13302177.09 27546010.49 24333462.42 16906812.83 22329698.53 12593471.89 22997024.02 19275684.94 16010232.89 32297364.27 18639277.27 16876275.49 23352423.14 18672389.26 23044392.74 21451337.24 22808271.78 14414419.67 29569239.19 20616706.52 28292390.73 25209857.83 26195319.87 30664840.68 9679069.203 24299134.65 28803356.67 19217009.46 30085387.53 21687380.61 24454607.12 19496428.21 22049001.11 21307999.78 13261325.64 15515408.82 22372575.21 27002135.27 21760814.02 30802423.29 23094822.67 19594860.9 16839407.2 23928569.46 29245357.63 30336565.16 17380079.9 21200722.51 27365235.86 23205144.08 20509206.6 34042859.24 26734682.31 20163078.22 19206101.31 15422457.58 23943016.1 29939358.77 18465009.87 18978233.34 21632953.54 26051865.59 24928690.09 17347609.57 32359808.54 8382195.555 20429837.22 18038627.93 31791588.01 22013185.28 20582948.51 28429679.45 23093173.66 27060680.27 21109598.59 24970257.85 28912321.5 19989446.66 13590701.43 21244270.29 27306494.97 18518951.4 18626976.57 25845675.78 32111664.93 20144663.96 Methionine 721209.4 678125.6134 621297.3593 997854.5171 797354.572 363060.9908 652228.2753 429785.462 576917.9485 764330.3891 743242.4433 675601.1725 676622.3772 695218.9239 846046.4863 483855.3019 671495.0943 604250.0199 798259.0646 426395.716 705921.7925 641769.3704 759203.2945 398275.8341 758518.4448 785591.4567 773530.9413 408008.4159 724668.5109 555315.4369 731423.7114 689215.0182 591626.5022 423397.2521 568931.3947 861101.4473 507595.091 585997.9699 581610.5384 340118.6358 555580.4066 731686.1765 662238.6814 596328.6348 417006.4297 805099.9371 933032.6307 903626.7855 612167.0661 637371.1104 737704.0331 608722.8128 654020.0581 759617.6033 699288.1158 570015.8274 444032.8199 343738.8021 579853.7921 686718.9252 618738.0787 863466.5945 576469.5841 818769.4901 837680.614 563098.2994 866598.9978 305722.9292 681089.0787 372703.0332 780550.2384 626311.1544 620165.5723 831423.6332 699742.3927 711653.0585 519128.6487 730275.6251 613396.2913 598807.3371 441283.4313 649857.4714 853735.933 589121.5998 388629.6873 805849.6618 624664.5627 599861.738 Methionine sulfoxide 477850.8705 114159.1981 86492.2069 117191.1314 120716.7343 80945.54021 102651.7356 75162.09645 96296.90486 118498.0352 85626.51993 430775.8948 104227.4083 124387.3975 128122.7794 66008.09663 194516.2639 95817.56056 124175.7263 79417.21423 491417.2256 102792.5925 137347.1285 81061.0213 102662.1574 113249.0289 113976.5897 61973.97035 81289.16879 90136.74654 482703.1425 119386.9309 85867.16867 59104.79624 74904.19266 251971.8521 82670.06442 151441.242 82326.27948 53177.20997 86913.00996 453541.6521 116265.7301 90440.31601 75280.28021 132769.2165 125024.5744 152518.0969 79288.50278 132412.351 481957.9182 122866.5961 116944.4582 104570.1413 89419.4755 126650.7658 69159.61759 60555.9149 90104.63692 479074.4949 120445.8344 92054.49815 89803.09953 158441.2896 95970.73058 86056.1361 103396.0675 44204.90492 86560.93482 61031.35118 463966.9078 108824.1237 84104.83129 158233.4258 69785.8135 118798.7571 80044.92919 137961.6355 450078.0924 116243.272 103347.1092 95944.85057 107600.3488 76569.04114 90313.51053 168567.403 450867.8839 101740.3947 Methylcobalamin N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A "N2,N2-Dimethylguanosine" 100376.2848 172432.016 151260.6722 109957.0728 165712.3619 189856.5002 151529.6804 157362.5323 128386.0526 137613.8295 148845.0375 95707.3948 163136.015 147595.4032 87254.83783 116254.6342 175424.06 97948.38196 189392.0607 168427.2482 96604.32942 154062.4582 139651.1968 205811.1761 110434.1932 198314.4012 115583.5458 165368.1862 136682.1169 107281.4567 96454.59657 163256.4259 178718.0768 269002.8084 194324.2717 110758.652 192802.3666 95025.0829 196811.7366 236974.6895 203046.1761 94442.46927 168120.7193 121536.7672 154788.7058 131391.5415 196438.7437 151545.4993 145640.6796 222964.5254 87665.59419 157920.0415 146822.6161 133252.2804 167518.9792 156148.0442 264675.4101 170076.8457 217079.9297 104323.3226 151848.1228 161170.5797 181259.1273 156341.8905 142687.7711 116910.1179 205014.2328 66543.12119 149987.4365 97250.06411 99821.39076 146781.0605 190284.2797 163754.6075 259170.4687 130605.9792 135301.4943 261393.7645 88848.49093 145435.5085 152879.9314 98092.73016 121334.771 131441.6176 168516.9246 107868.9199 88777.089 157999.6525 N6-Acetyllysine 117600.3095 110907.0064 125400.7164 138082.8426 135836.346 126475.0349 91350.36676 85707.57622 123018.7477 113731.7189 139703.0722 110452.7329 141775.7813 112192.0174 120562.2011 50324.3312 143214.8021 110228.2232 151187.4809 179666.0993 103503.9007 122286.6217 120107.2239 154675.129 112800.3651 202138.6243 70866.68438 107770.4573 85666.38073 94872.46867 97361.5997 134775.2114 99027.00933 143265.3361 150620.0487 153458.7649 123912.0143 84555.32813 152600.5681 163548.6837 130964.0818 101148.244 132199.832 107117.7228 112463.6107 92186.84135 171539.519 101239.3457 94296.96219 184721.9724 79012.17333 113166.0761 136910.4874 81801.04139 104130.948 137425.3978 136841.6224 119616.0824 119209.6039 104158.2251 110987.2836 113267.481 179484.5263 177645.0519 106252.8619 86774.24699 122966.3522 44766.81825 162870.594 74727.07189 100266.3173 144700.472 139238.2968 125457.4728 124245.3001 126901.2464 82411.84853 186796.9217 95754.7013 127967.8692 106316.3441 58967.05331 124400.7722 109346.3523 135728.919 118088.8667 81220.95884 105355.9469 N-6-Trimethyllysine 742892.5237 729781.2017 641394.5004 1079928.887 480995.0911 891732.3667 493641.7725 484738.5591 838110.5299 768409.3655 530466.1507 881160.2319 710526.8803 1116906.282 665933.2107 1033527.515 934845.9861 805423.5942 957446.3002 633055.9369 840903.502 770184.2291 850919.731 985291.0812 684101.8227 862081.9269 660044.9727 660480.8509 692008.2768 791210.4243 856146.8001 824636.6681 1346337.53 973975.0999 780565.186 636551.8957 875034.7597 320014.7947 1118814.747 1341203.264 877269.593 909740.7479 769320.1662 719118.253 1033625.682 745483.0771 1250524.716 1002848.109 615613.805 1031285.621 735969.0786 798702.0167 2209134.182 1159243.194 874701.4076 942912.1439 1136542.366 653055.4074 1200496.623 817028.5903 827899.3934 1301508.966 688130.5103 1565857.466 857746.7648 433356.0327 1753680.036 447171.639 726494.4629 438998.4711 869029.5441 819373.1662 964183.5963 818499.1189 1279054.998 1228385.066 828415.7498 1091124.015 797976.9875 778091.8379 700548.867 579161.6983 1315342.606 1361535.566 752076.1337 1335006.84 891581.1078 807233.7303 N-Acetylarginine 80042.0146 82845.91951 22823.05772 86119.89879 112725.9863 117778.8498 68390.92654 87032.53918 104103.1366 37930.79352 104249.6835 79324.60229 80792.05436 108055.6282 47146.43357 34072.57054 94684.04306 92943.17558 173116.3917 118801.741 59999.17168 73427.42928 37422.72285 81893.48943 33114.30351 52601.29451 81812.20182 46934.62781 46786.15805 55385.78167 75444.02707 85427.41808 55325.85631 88150.03808 65324.31923 98219.27135 50226.22657 104572.4744 84968.1712 111402.3316 60680.26434 61812.84739 89326.62014 145924.7027 76632.47699 149793.216 209151.8663 68134.59107 66651.13069 89359.70864 69638.92083 95811.39407 40786.59635 65106.83489 72539.15445 71997.01133 86045.29743 24676.67244 46133.8148 64569.82316 89588.28298 186495.8105 65353.79205 141572.6911 88328.05388 103625.4052 105122.8278 26159.83617 52669.37495 75924.43416 70859.42005 79749.42507 52283.02341 114542.3196 66373.27691 93726.71367 61673.70074 171220.9596 60316.89112 66990.65136 65618.53332 61382.26465 66569.06905 60983.69891 75389.04204 50900.30471 56187.35974 77926.23487 N-Acetylornithine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N-Acetylputrescine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A NAD N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A NADPH N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Neopterin N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Gly-Pro N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Niacinamide 44741.26534 72242.87558 38040.49003 185645.5154 24840.00103 29007.35682 44183.04943 29841.01618 26737.94781 164259.1171 195998.8217 42965.09853 69799.22172 209615.7883 124485.1342 56555.67406 20818.49057 252410.0186 96562.44092 22123.69038 43339.12585 73876.72415 40229.55205 44426.14843 18595.88062 181651.567 20109.89267 34651.04298 50632.34032 29942.72239 40690.50273 73079.86462 49605.77678 66947.26406 56835.89869 35077.26953 25555.81905 12889.85527 220862.2696 22613.92859 13640.48033 43344.22028 77002.65322 24875.42575 38414.12771 107438.8915 175138.6948 59120.02202 49552.80004 45911.91031 45466.81866 69858.00973 30203.50416 46404.70069 24980.96947 93839.24569 45156.86913 159402.6545 155370.6017 41123.34882 68329.75853 58580.60678 104474.8792 14806.05044 58541.09224 30022.18276 150522.0676 16101.21968 25819.96259 18608.48117 44761.96997 74584.32143 222139.5611 75696.32877 56220.90445 52121.76182 270750.77 217695.8297 39181.63635 62336.72719 43429.90625 27951.69722 46445.75276 52915.77027 40530.60536 14592.9911 39833.03267 62877.62877 Norepinephrine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Normetanephrine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Ornithine 10806344.44 5617752.038 2287032.853 7320049.254 5941000.487 5510008.701 5542014.933 4263708.63 4019455.593 4459332.779 3785828.719 11964700.18 5255511.957 7140705.731 5613343.629 5522507.79 10024829.36 4204652.165 4671971.887 4549796.816 11509688.96 5584988.515 5971548.925 5703155.743 3625782.772 7566501.524 1334064.812 4851118.675 4554551.834 4257631.499 11003746.4 5936996.591 8080245.027 5697806.69 7517312.492 9151382.992 3164110.545 4030379.076 4429960.358 5070356.194 7604845.188 11307750.19 5756770.377 5037539.706 10042012.77 4868764.271 4269740.793 7120065.548 4238419.38 8205106.291 11092083.34 6001180.711 5890445.932 6736584.237 5786822.803 9138567.443 5612751.47 2788940.194 5830117.946 10734519.65 5157508.774 6333329.645 4833493.502 4696334.281 3275138.5 5030415.022 4959925.332 2574265.913 3194822.928 4596294.29 11160210.01 5589342.495 3088654.11 6673303.092 4178476.776 8032296.888 4412118.605 5447529.056 9977173.415 5338698.717 3318287.799 6093692.666 5279528.744 5204681.903 8559028.355 6988330.881 10650020.81 5679706.161 Phenylalanine 32845456.08 19783722.02 14286328.87 25630119.47 20248940.53 15983969.67 17071340.86 15140109.27 27758914.78 22206267.45 16313078.09 31318643.08 17694122.68 21709788.73 17511568.04 13072649.87 19872052.8 15975876.34 29052806.02 13965347.21 31378157.57 17544991.29 17857580.86 11606689.34 18808793.35 23862132.57 13628698.4 15571431.99 16272779.98 11739774.24 30816043.59 19323238.37 18864115.33 14387462.94 18213859.71 17905225.89 12862781.03 10832538.81 19555997.73 11204787.29 18915250.56 29029783.94 18529735.17 16070948.59 16734163.71 19811091.84 24742421.57 21660172.27 16861694.76 16822437.4 29085877.56 17587079.89 20457538.64 21757787.84 20033709.11 17731756.6 14961341.86 10143013.99 20395890.7 27820351.98 18048259.05 22475337.8 19825593.72 19673232.94 22526926.38 15905595.59 25707494.07 7773279.062 15544401.63 14225113.67 30034606.28 16927635.99 17537633.01 17777399.58 18492291.85 17034457.39 14673573.34 22015602.33 28377805.54 15968228.69 13413013.88 15272926.25 19633273.11 13916845.79 13388169.77 19424317.26 28603762.59 17097507.05 Phosphocreatine N/A 56125.50483 38152.65217 46293.12004 31932.74261 40203.01099 61664.40528 69363.41783 35426.2089 71347.30542 93762.6854 N/A 54277.81801 66515.48234 53892.20872 51094.15069 41676.86988 81694.5746 44283.44532 40676.75414 N/A 63595.50391 74918.34189 10438.46423 79297.81784 37470.27771 54115.35419 69060.4914 14350.83478 45959.31198 N/A 55774.64394 78244.8111 28837.52922 46226.14498 95235.6778 49924.49868 78765.94785 76404.12232 22876.63387 48123.2423 N/A 62168.58077 46848.47669 74910.99025 116549.8568 106241.9514 95093.881 121696.2802 21156.36257 N/A 53843.19676 61347.08636 36588.46718 36999.80143 86226.19838 28857.23521 68750.29951 48968.00566 N/A 45659.56506 68690.89968 52257.06058 50394.68458 70600.97978 37581.5513 61320.52731 23391.29104 32094.96079 75306.54876 N/A 47288.97367 69325.362 27197.66896 24944.42664 33654.24462 34668.74113 92497.17638 N/A 43712.96617 21761.50569 37239.33028 71844.40355 61430.20493 56727.46199 52653.76508 N/A 46574.35079 Choline phosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A O-Phosphotyrosine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Pipecolic acid 602562.8604 603262.5957 279966.164 340302.2104 633035.7543 272509.6193 1184031.694 380499.6926 255304.1445 491942.9453 922998.6441 579074.1619 556364.5723 278901.778 1256891.156 297789.8792 552976.6025 1664478.691 906178.6591 325871.8921 596878.2338 568160.1586 341703.1484 415757.274 332480.974 386350.8876 213186.4378 388698.1851 375389.8065 340650.7856 592223.4111 607942.4198 1301385.479 155494.8902 293088.6355 525571.5438 266231.841 5547769.146 859232.3765 218595.4693 203525.7922 495410.4668 569046.0972 171470.9127 240688.9562 588423.2187 530770.4716 669544.2154 1033581.952 324016.4837 492280.1183 621022.5592 481459.8821 433419.5837 426259.7542 387131.3602 140443.8966 157906.5801 515026.3522 617318.0642 537492.8441 765462.6723 1450888.954 491908.3071 233372.5687 335368.8444 353117.6803 138182.036 255285.5756 500767.6033 613521.8833 588452.0837 607707.8226 330070.7892 152451.8392 545078.4265 257483.5212 251017.8514 557809.5693 526657.5857 177961.6714 264055.4069 528552.9442 272419.8152 377255.5885 718705.4748 529971.2241 625142.8928 Proline 12152055.75 7016631.304 4654651.78 7395523.895 6066053.959 4430542.015 8137647.924 4389080.278 4771974.148 5569854.88 5245202.221 6679535.309 5861255.454 9584009.011 9233009.201 3512678.639 7184210.152 3664288.426 6439909.216 4712541.195 6698009.746 5205019.237 5930447.476 6446604.786 7277754.864 4716323.912 2531551.215 3817106.204 5439914.432 3405773.397 6756565.792 5395961.396 8112735.561 3739809.897 4090429.519 5679002.173 4835572.522 4891373.036 6106997.422 4360924.581 3723150.481 6720356.474 5806719.481 3199330.294 5183570.927 2920667.818 7992094.177 4638935.923 9811436.669 6523418.39 6155404.214 5443161.656 5810988.716 4880966.203 4979429.052 9368358.442 3482980.92 3054659.282 7871808.194 6808041.975 5637714.301 8636942.239 4313795.409 4425940.607 3804772.336 4076407.283 7183390.929 1799907.985 4361721.776 2890768.982 7082634.654 5362370.743 6385664.584 4840037.892 3627525.631 5980216.444 4273618.226 4348817.848 5811076.814 4821180.231 3300868.278 3847565.844 4579870.239 5483435.059 4129513.94 4056461.589 5592078.026 4783744.277 Putrescine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Pyridoxamine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Pyroglutamic acid 1049045.392 462477.7487 277013.729 437277.2 303138.4154 317781.6467 392601.817 366499.0299 337303.3727 474970.2749 394580.3218 1096080.239 435118.9012 246068.7015 488707.3214 301114.5526 309718.9844 310395.9769 277427.7088 344104.7883 995168.017 482111.6291 502331.3845 421198.392 333154.3515 288197.2748 202676.0445 357438.3096 318263.2908 351085.6076 928853.1146 474809.0381 712493.5862 335838.7683 380672.575 434934.4985 340566.3001 457152.808 363271.3726 293296.3393 378858.059 1042594.127 485282.2313 309313.7934 439154.0274 284817.7727 301914.8386 1002231.809 378378.4881 335239.7727 998243.0372 443164.6341 393657.0968 265127.9374 207666.1141 402271.9168 361946.9777 386212.0107 424394.062 862804.9345 415184.1469 519609.6601 402782.913 272871.6482 341615.504 308984.9617 327075.8485 188716.1077 304277.1739 480440.4233 972703.2565 478534.7393 486181.6997 728161.2953 483831.313 393003.6115 311003.8624 322845.0963 893376.4613 416277.0756 212951.8541 385157.481 227102.2812 326405.2787 416632.5782 552129.4477 1157256.253 461595.8388 Retinal 10604.64934 20638.79853 6207.456247 3852.063647 11311.04422 15769.36349 8091.384582 5607.208388 21443.43564 4014.824506 14708.01301 10974.8255 17720.774 4174.884216 18953.65186 2591.44729 4535.504284 14521.8716 30735.89167 21053.61458 10407.16581 18921.17388 6005.605508 4158.200443 13641.22827 10440.10651 41935.29504 18664.10779 4866.201649 6563.754767 10400.62054 17840.33183 18906.28794 13866.29348 4014.494772 6698.440257 12831.84874 7159.296614 4764.433272 9561.617909 35448.995 12178.60528 18300.20773 18164.24517 8474.776674 18625.41441 21413.17616 12403.29724 10668.90578 3299.53749 12162.18771 18080.15682 11963.10659 4307.532312 22877.32557 26052.92057 14961.12548 11939.67598 17975.76389 12020.72464 17801.46021 11265.07265 5870.920659 11957.31047 19869.1757 7344.687237 6287.419659 4276.82624 12566.92377 10369.53859 13188.80209 17775.86756 3299.457993 16310.96499 5032.058013 10887.53156 10571.83222 5657.654751 9285.027586 16178.66437 21225.39451 14035.54563 11657.49491 9388.08776 12413.83606 9352.727056 11150.57757 16661.44843 Retinol 88554.49151 81637.26639 81988.86588 64944.79719 62898.70052 64470.31433 60656.09533 53604.4781 56577.79545 51258.03247 58766.13379 80013.93893 82353.42218 49954.46649 61514.21735 73795.42019 54919.27399 55049.28692 60070.55332 56943.5586 79338.42859 75364.77871 57021.72924 66486.71526 65949.00189 62923.90566 71778.7562 59360.95747 62919.70161 53689.01855 83220.4458 79105.53518 70322.20111 64739.23539 69622.06664 58946.72678 66637.28047 68133.58342 77052.14099 69176.83041 63760.77016 82166.52745 70116.25268 62492.89893 66505.88849 80241.32202 74125.79622 71756.69048 60473.60684 73316.5861 77904.25459 74974.53391 65174.09997 66947.07218 72749.23661 59128.77111 65550.37836 58298.66273 64303.94347 84040.66665 69358.5916 70671.7525 64675.04861 81885.86583 68408.2796 68410.05762 82276.58276 58000.91323 65078.75154 63640.66414 81350.50296 68461.3871 56077.05881 78627.90439 85961.17304 60590.3265 65505.74999 64374.04049 63999.17683 68425.53028 57606.2177 62581.07092 81741.07435 65507.62285 69861.67669 70391.86938 74516.34618 80764.44746 Riboflavin N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A S-Adenosylmethionine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A S-Adenosylhomocysteine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Salicyluric acid N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Sarcosine 39956.11368 77874.79597 119298.2207 75088.1214 99307.69056 79470.98442 68009.05178 83528.48777 74166.14311 62665.48198 77583.43685 40748.00672 76936.8588 77277.13357 109352.1886 24818.10238 69902.56384 90520.28784 79615.40156 69494.72115 38121.80471 75852.62429 54051.96392 24429.40808 59195.89854 67890.65528 67793.60422 53231.51863 19071.58245 73018.53421 36448.4918 78995.81119 93335.31822 88545.53575 25673.95382 76039.37893 88101.02152 97721.8218 121744.685 83694.56627 75909.06826 38068.69403 70124.79835 57595.61139 76164.5121 102451.8004 108755.5176 84507.10569 130424.5456 45197.41366 36443.97719 76874.98854 78257.69815 30416.0367 96299.60833 97821.12327 86054.38322 57968.15119 69915.12135 39223.45674 70806.90479 88622.47631 117946.0135 95361.65078 85876.72141 91144.30854 119859.9491 102992.8103 110854.8187 64799.96488 40650.07749 77644.21141 59850.27402 94257.14487 24388.3765 94063.24212 72543.37333 63122.53579 35114.64756 72222.86169 97292.16157 52943.15156 106730.0459 67416.39788 105547.1206 62336.50073 34324.287 71085.68305 Selenomethionine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Se-Methylselenocysteine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Serine 7943579.775 4229217.234 4572098.805 3580962.82 4308551.878 1907671.651 3828284.943 3021077.786 3329470.745 3647769.222 2461582.381 7004663.521 3951175.016 4628175.048 5415500.768 2409441.007 3368626.978 3442117.794 3923297.177 1908096.004 7449213.565 4144904.373 6279472.929 4807914.05 3551231.159 3782347.354 4072159.209 2895325.782 4548953.709 3909103.205 7369323.195 4119559.625 4680543.746 3075954.965 2647418.682 3506950.202 3494858.85 2776949.603 3828223.785 4396810.95 3253817.232 7301574.582 3949399.837 3026065.275 3035852.749 3627946.796 5115084.361 6160492.239 3871491.482 4556763.253 6442161.851 4144950.393 3528966.15 4595203.139 4394724.06 2738270.129 3313799.297 2942750.975 3800525.914 7708479.397 3894779.268 4134733.623 2734915.383 4380683.197 4806439.33 4496493.029 4409340.776 2228933.421 4417951.767 3053435.93 7512691.222 4300552.257 3029042.794 5402544.27 3198980.954 3247956.766 3412337.179 4191915.593 6420117.328 3522760.033 2559169.204 3517396.591 5124439.752 3001282.696 3715610.654 5182928.339 6511951.922 3918944.648 Serotonin 195707.0007 142113.7769 N/A 18679.55809 N/A 50553.5486 51693.01079 12258.16038 N/A 38267.94585 27303.9617 181233.6528 132843.6717 571463.2993 317619.6537 N/A N/A 1125871.525 80553.04956 N/A 172753.1453 137182.2838 N/A N/A N/A 430484.1076 N/A 30931.60753 14766.65926 N/A 179626.6878 142916.0133 93313.57386 N/A 175619.7062 N/A N/A N/A 355277.4767 N/A N/A 172712.7355 133705.8974 17489.69555 102318.6573 85750.58774 355033.8348 242832.8007 197061.5312 15711.69144 167148.6988 123510.2566 N/A 98758.52738 N/A 517999.666 N/A 175895.6587 659759.2395 171450.5078 127496.8905 47256.88247 1223089.355 N/A 30424.49986 N/A 848889.929 N/A N/A 19795.21165 172480.2772 135826.6856 503739.4247 36342.45351 123747.1685 N/A 52040.68372 205594.0517 163444.5987 119326.0602 87343.73751 N/A N/A 21823.0177 N/A 12336.86113 163032.0154 130726.1237 Methylcysteine 631613.7748 370018.4278 316833.1961 417354.1561 367024.8665 229667.9831 332956.9495 205425.5046 309258.2682 305133.6496 270792.0225 273892.2489 250138.13 234057.5979 256338.0549 178999.2536 311216.8437 193260.9135 222621.5523 139785.8528 252788.7314 257001.5542 191724.4689 136469.4667 237372.4546 326017.7366 212188.7333 272778.4071 245799.7089 174348.7329 330555.1239 246598.2125 273335.8257 203394.317 302720.8128 344212.9602 177769.6402 167745.7614 255334.5525 137099.4192 227725.8456 286317.9387 242349.1471 167497.5002 170452.7318 190653.9388 355516.4454 257970.0246 192536.3929 239860.8956 256428.866 189121.363 314508.1613 244699.3872 239394.768 260159.1617 184409.4184 152199.5274 248909.8207 356655.355 248851.6149 432524.6971 290292.2712 258646.5506 269526.6594 221309.4805 244054.2242 134082.2713 174862.2674 200130.0612 260156.1086 238396.2957 308789.933 225390.3013 167664.0011 262456.7021 195861.9039 203884.9696 226340.8475 228103.6871 150303.1555 256192.8566 255191.659 205259.1264 162186.2669 387004.2056 309846.6092 255030.2343 Spermidine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Spermine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A CAR DC4:0 93250.74703 137752.8984 138898.4696 159173.4991 173654.5862 182485.0828 154624.3633 136509.9901 115037.083 142185.5077 205915.1507 92806.73244 138384.8883 166658.8459 116684.0087 68105.61026 136790.3272 126173.3811 160591.5453 125089.293 81174.76142 133256.6594 89432.81217 112013.6247 80482.39361 221009.3558 133556.7761 172684.7597 126052.1177 121967.2531 94203.2628 148888.2569 157418.3047 159943.0531 141209.5205 88482.85678 119094.6202 68776.62822 167686.3747 211177.4181 153420.2729 86306.82898 128056.5933 110957.09 137059.6152 172789.4447 220885.3166 136296.249 79236.27459 196405.5345 99358.81851 131253.9684 161411.3662 85245.67721 94875.67326 246827.4234 179136.8503 121028.6315 203914.4246 60274.13746 136664.3369 125129.7111 171718.2693 141368.2313 155485.8981 97380.85291 279901.6126 44811.592 124208.1351 148666.4915 86349.6391 132833.1996 145455.9062 201865.3536 195366.3895 141867.276 110120.0401 225366.2196 86958.33301 124890.7572 153586.5249 82766.48571 114272.9327 208104.7059 162151.1377 141938.6232 81596.81521 132435.3134 Taurine 2510812.751 1691114.072 639067.9186 3631864.132 687506.1515 1142416.9 1308194.67 648903.5546 710163.6573 3030924.71 4019892.684 2149047.705 1366564.055 4311825.061 1429156.871 455847.6745 574647.1365 3117880.576 1058876.479 683608.2323 2299103.771 1480727.269 657508.6899 687130.8676 531198.9255 3130309.763 758821.2694 957553.1688 780288.6139 884183.2848 2312624.324 1474257.879 1131241.773 1304817.142 942515.3467 726566.1817 1192522.833 528314.8018 3781825.29 742448.3109 1030159.529 2374253.863 1505322.247 819751.7597 1268059.527 2388075.567 3286197.2 1617077.247 1445340.545 1280919.878 2326803.209 1477969.791 665775.9887 1202848.179 759181.3779 2180553.958 1196340.63 2788244.705 2963970.693 2445077.963 1503418.269 1291455.998 4025172.628 681738.0323 917787.8744 1282867.181 2868371.892 336774.0119 675525.1937 515164.035 2656492.954 1466085.664 3952194.819 1079554.415 798226.4849 632095.1238 4657562.768 3843754.006 1993151.238 1331773.073 1149196.786 629306.5667 537307.0682 1561343.417 575997.4696 660478.5195 1997258.358 1305488.113 Taurocyamine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Theobromine 337131.8281 257300.37 35412.922 683182.5532 591831.5625 365183.6665 282056.7747 489223.3014 141639.4069 6921.974663 397916.1745 328944.1789 247240.6217 161834.1135 12357.49045 196225.8826 85268.83583 119121.3266 437201.6797 7360.888557 307628.2936 261425.7973 57160.17566 200966.8239 388419.8371 957336.7114 64035.67202 319877.3515 22082.75313 242347.1244 312804.5252 272419.0659 164038.4054 167877.6862 260013.9778 165178.6376 695204.4913 474329.6925 264510.9802 29069.7781 139073.3669 335410.5581 259205.8718 1235.138064 154522.4237 37864.12856 171035.9714 130215.287 907779.8233 94031.43714 301537.6514 245006.5799 1415880.781 35112.22208 814601.6352 121091.2926 158651.3109 409340.8236 48664.71721 309071.3796 256166.236 75666.69847 408355.077 1285739.058 76022.40944 48582.16141 783232.5131 52382.57973 10431.07715 813599.6894 318977.6431 258855.3439 238355.7773 109549.0322 126887.3012 212106.0057 75803.60358 469511.671 298021.7537 226486.826 168182.3822 306756.0462 130980.3652 87035.22648 61267.35232 404736.8987 323720.2608 254846.0407 Thiamine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Thiamine diphosphate N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Threonine 6716456.622 5834078.14 4988720.443 6363162.685 5549478.697 4039907.768 5390515.679 4564668.002 4625856.549 7333792.177 7623959.84 6609769.384 5595228.78 8145950.625 7877897.035 3557571.532 6616760.24 4917941.769 8940357.616 5024145.683 7142652.665 5607341.545 7587207.223 4379214.073 6646313.949 6442776.987 5784443.576 2818050.757 6054921.125 7016217.953 6364927.4 6461257.36 9464456.58 5285952.214 3402714.693 5072115.562 2345526.804 2115791.785 4875802.827 4745004.941 4475138.76 6425549.402 5948068.375 5949589.757 3608438.603 5571215.323 10521644.24 8300927.364 4404107.911 7057333.357 5893034.003 5767821.618 6979969.968 7118840.86 5591495.189 4053158.85 6488389.739 2802504.768 6010547.725 6126000.438 5651673.733 5187996.944 3585961.543 5844931.392 5900010.641 5616389.508 8151145.194 2736982.919 7225876.858 4229443.976 6237006.75 4937488.978 6736702.645 7230120.625 6038177.785 5663420.786 4931645.992 5414403.025 5726498.738 5049547.372 3161128.157 5120892.502 7508798.375 6136233.269 3640560.727 7325493.514 6057625.371 5546400.276 Thyroxine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Trigonelline 2661853.886 2502600.203 297975.5404 1914023.454 3467275.937 4971287.809 4128342.438 1237858.68 2969698.188 221820.3028 2372552.707 2371839.656 2394247.587 14310809.8 338559.9546 228498.1908 2018653.414 705586.8322 2728952.36 183563.7325 2363543.336 2264988.347 55354.05363 1217613.299 102922.5793 216663.0805 149552.3221 164254.2194 166306.9829 2252468.168 2472354.265 2326661.273 4043203.289 732036.3257 199971.3657 3172784.494 24076346.71 127935.8306 607477.8028 979710.2927 1646704.593 2292112.386 2472641.63 199934.4293 541877.9474 287736.0252 1933457.238 1313471.67 5089579.82 1749063.483 2044829.417 2501068.458 1540062.77 250890.1335 1232057.695 1246303.786 677213.7152 546523.8616 883726.9764 2139780.394 2350384.699 661235.3215 1289357.758 2471319.313 662598.1753 759059.6135 918607.6347 3634245.755 129017.5769 1130327.047 2267064.778 2345138.725 324336.0112 902817.1384 3440206.339 1383079.597 1139757.354 962773.613 1995899.901 2402190.117 712448.2208 1007298.119 383745.1412 4683971.825 252919.3953 721034.7787 2056931.705 2517904.476 Trimethylamine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Trimethylamine N-oxide 398378.74 340767.8799 15376.69747 623163.5683 500114.8623 190290.76 282539.8789 443139.6047 222975.953 238318.8161 304908.0704 370990.3266 427518.3984 387596.7548 245188.4375 155771.7897 1559791.062 1413563.848 283031.2787 289282.4279 394468.3813 377339.8085 97402.11213 1441776.51 548008.4409 82656.10973 215713.2902 619742.2692 60788.64864 151434.4604 389556.9978 417220.1311 314670.8582 433315.6887 54866.53155 401731.0205 27888.55602 96866.95343 266139.9909 581916.5814 523621.9021 407400.9535 467351.7454 212535.6313 318319.0218 354861.2161 479230.4169 171336.8796 256190.8824 780499.588 372351.3911 454900.8168 593120.8768 474959.4032 128125.3685 1150037.223 357345.2531 393006.0334 702836.0799 441051.094 395794.0164 1400728.218 269684.1736 726294.3355 220350.1682 216331.686 692146.6859 189265.0111 977953.0615 263950.6529 403436.6292 402476.7083 451598.4155 250119.9822 513368.8719 1668411.375 383155.0724 350710.3598 349569.3401 375546.5506 117262.1637 241422.9498 3179539.139 1331518.711 205001.1626 239809.4133 343697.4581 386028.995 Tryptamine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Tryptophan 10241476.37 7289607.003 4970310.905 12130490.06 9500488.53 6096746.013 4422841.762 5835741.319 8423041.17 8302539.035 7276987.286 10868655.46 7523807.991 7072373.856 8274667.899 3428672.273 7328415.757 8991424.501 6767005.72 4418322.693 9875935.102 7565888.555 6820763.142 4351728.972 5314978.609 9851531.739 6355010.314 8167315.581 7403182.204 5017059.882 9446532.423 7773943.729 8758656.565 3722949.461 8908865.319 7770226.086 5607486.513 4741638.835 8658286.413 5601072.103 7272992.571 9921207.537 7355003.593 6131016.987 6122409.169 10645838.67 15691174.43 8052902.522 5400699.558 4305348.553 9452486.431 7176252.291 9447696.792 8952760.176 9320018.968 6501454.465 3795306.317 3728111.079 4499924.882 10225268.1 6957002.328 10395931.66 6097044.306 9071384.777 10849150.44 7963493.66 10735158.81 2520964.428 6278056.423 6772910.902 10420410.54 6612234.8 5732782.926 6857624.294 6736049.517 8809346.491 6276355.771 8329986.311 8818423.535 6210733.088 4796438.982 6546618.341 7598739.825 7209018.447 5949136.334 10844717.97 9730773.24 6734578.547 Tyramine N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Tyrosine 3886203.486 2162576.336 1578709.32 2623583.259 2364405.014 1381588.6 1905198.877 1439816.975 1900842.26 1666044.053 1218921.069 1761591.499 1428015.401 1239307.798 1588190.351 994805.3179 1991066.534 1178338.726 1251175.547 832304.6793 1846512.74 1454497.188 1142076.019 747932.8758 1390199.796 2012436.88 1298324.029 1443982.148 1490794.184 887150.1516 1684939.574 1572631.62 1443048.366 1156809.815 1685427.905 1782158.268 1171979.702 973639.9635 1528104.033 743855.2923 1307134.747 1625321.571 1358594.256 1074538.683 1082453.23 948225.4866 2033942.166 1499381.034 1275810.691 1439561.587 1569785.722 1236943.497 1683537.973 1268789.676 1317405.587 1745354.742 1104389.43 1160361.483 1130789.676 1936044.543 1620745.045 2354723.943 1212317.818 1606969.327 1569879.353 1381372.215 1692076.845 649162.3148 946708.2866 1072832.472 1675504.756 1361572.629 1775373.235 1266977.762 1123837.634 1693406.442 1094035.85 1127696.25 1506272.003 1081402.296 785604.4845 1321136.478 1465219.162 1417108.798 1189983.714 2424899.614 1447812.276 1162201.593 Ubiquinol-10 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A UMP N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Uridine 411007.3516 363494.5577 219242.8965 456777.5514 362876.6419 562024.5591 517918.4518 354401.2201 441639.425 295176.3108 353753.5382 398391.1708 365493.0436 267804.0934 172807.3575 444945.6419 257738.5441 451689.9559 305727.09 257958.7884 388073.3906 356718.3231 310950.8487 360215.1325 450205.691 316489.8429 210586.4369 461998.8918 426448.5912 299011.8056 390046.3866 369741.5621 334275.6738 397389.1121 378903.4343 154721.8384 266091.6423 164950.2335 433727.2116 338841.1495 385020.2801 394840.1182 373984.4993 353675.4544 412625.0358 382670.6533 220916.3155 376589.8716 324764.8409 422773.4809 390545.1764 343624.499 340808.7485 366093.5604 546901.9982 202234.8457 389666.6823 196634.4583 382154.5088 366009.2904 335959.2534 160002.8529 224980.8323 439178.8362 341076.2995 349173.9272 651440.4836 282601.5937 262850.9091 296421.2662 371914.3655 338907.7249 264057.0824 374505.3549 406355.3596 249352.0459 269680.3403 239632.0375 342558.1809 315718.6429 116883.9124 409914.6595 538858.2868 286844.1551 392797.2874 162907.8637 338138.4457 337400.63 Valine 1290719.718 1597597.776 1434096.068 2158527.597 2320427.224 1870884.268 1956446.6 1374596.879 2107681.065 1653310.368 1907617.004 2533398.83 2168371.987 1982360.386 2799359.952 1700201.756 2750162.142 2409426.158 2283937.686 2058589.465 2386547.428 2340233.482 3289944.503 1689718.817 3049382.712 3265931.819 1846378.487 2233989.923 2125601.355 1852231.258 2832492.554 2241936.804 2302146.708 1876937.893 2168230.932 1971159.231 1170831.176 1463975.91 2461017.475 2013079.771 3123737.098 2977742.207 2525222.136 2409392.787 2110748.971 2455466.6 3735285.643 3075921.674 2494916.957 1338383.682 2731271.407 2552353.608 2400328.295 3881629.113 3663315.946 3058510.569 2092458.389 578698.2495 2801779.972 2355632.907 2044583.386 2146012.345 2020055.378 2562571.536 2790827.936 2398645.304 2239740.729 1003638.338 2026978.183 1633576.551 2590124.267 2330794.568 2181216.042 2346225.226 2020103.593 2716906.415 1846894.308 2029322.182 2486340.93 2293139.477 1654121.115 2307781.306 3537819.707 2476577.196 2520032.683 3295438.321 2895514.246 2451749.522 Vitamin K1 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name REFMET_ID HMDB ID Plasma MS Compounds Formula Exact mass Super class Main class Sub class Pubchem CID CHEBI_ID HMDB_ID LM_ID KEGG_ID INCHI_KEY REFMET_ID Paraxanthine RM0047891 HMDB01860 "1,7-Dimethylxanthine (181.1 / 124.0)" C7H8N4O2 180.0647 Nucleic acids Purines Xanthines 4687 25858 HMDB0001860 C13747 QUNWUDVFRNGTCO-UHFFFAOYSA-N RM0047891 1-Methylhistidine RM0162041 HMDB00001 1/3-Methylhistidine (170.0 / 96.0) C7H11N3O2 169.0851 Organic acids Amino acids and peptides Amino acids 92105 50599 HMDB0000001 C01152 BRMWTNUJHUMWMS-LURJTMIESA-N RM0162041 1-Methyladenosine RM0156409 HMDB03331 1-Methyladenosine (282.2 / 150.1) C11H15N5O4 281.1124 Nucleic acids Purines Purine ribonucleosides 27476 16020 HMDB0003331 C02494 GFYLSDSUCHVORB-IOSLPCCCSA-N RM0156409 Methylguanidine RM0156067 HMDB01522 1-Methylguanidine (74.0 / 57.0) C2H7N3 73.064 Organic nitrogen compounds Guanidines Guanidines 10111 16628 HMDB0001522 C02294 CHJJGSNFBQVOTG-UHFFFAOYSA-N RM0156067 1-Methylhistamine RM0028125 HMDB00898 1-Methylhistamine (126.0 / 96.0) C6H11N3 125.0953 Alkaloids Histidine alkaloids Imidazole alkaloids 3614 29009 HMDB0000898 C05127 FHQDWPCFSJMNCT-UHFFFAOYSA-N RM0028125 Methylimidazoleacetic acid RM0138952 HMDB02820 1-Methylimidazole Acetate (141.0 / 95.0) C6H8N2O2 140.0586 Alkaloids Histidine alkaloids Imidazole alkaloids 75810 1606 HMDB0002820 C05828 ZHCKPJGJQOPTLB-UHFFFAOYSA-N RM0138952 1-Methyl nicotinamide RM0030166 HMDB00699 1-Methylnicotinamide (137.0 / 94.0) C7H9N2O 137.0715 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 457 16797 HMDB0000699 C02918 LDHMAVIPBRSVRG-UHFFFAOYSA-O RM0030166 "2,3-Diphosphoglyceric acid" RM0030628 HMDB01294 "2,3-Diphosphoglyceric Acid (267.2 / 169.0)" C3H8O10P2 265.9593 Organic acids Short-chain acids Short-chain acids 186004 17720 HMDB0001294 C01159 XOHUEYCVLUUEJJ-UWTATZPHSA-N RM0030628 Aminoisobutyric acid RM0139553 HMDB01906 2-Aminoisobutyric Acid (104.0 / 87.0) C4H9NO2 103.0633 Fatty Acyls Fatty acids Amino FA 6119 27971 HMDB0001906 LMFA01100053 C03665 FUOOLUPWFVMBKG-UHFFFAOYSA-N RM0139553 Deoxycytidine RM0040741 HMDB00014 2'-Deoxycytidine (228.1 / 112.0) C9H13N3O4 227.0906 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides 13711 15698 HMDB0000014 C00881 CKTSBUTUHBMZGZ-SHYZEUOFSA-N RM0040741 Deoxyuridine RM0138920 HMDB0000012 2'-Deoxyuridine (229.1 / 113.0) C9H12N2O5 228.0746 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides 13712 16450 HMDB0000012 C00526 MXHRCPNRJAMMIM-SHYZEUOFSA-N RM0138920 3-Aminoisobutanoic acid RM0153208 HMDB03911 3-Aminoisobutyrate (104.0 / 86.0) C4H9NO2 103.0633 Fatty Acyls Fatty acids Amino FA 64956 142590 HMDB0003911 LMFA01100054 C05145 QCHPKSFMDHPSNR-UHFFFAOYSA-N RM0153208 3-Indolebutyric acid RM0053117 HMDB02096 3-Indolebutyric Acid (204.1 / 186.0) C12H13NO2 203.0946 Alkaloids Tryptophan alkaloids 3-Alkylindoles 8617 33070 HMDB0002096 C11284 JTEDVYBZBROSJT-UHFFFAOYSA-N RM0053117 p-Aminobenzoic acid RM0156087 HMDB01392 4-Aminobenzoic Acid (138.0 / 120.0) C7H7NO2 137.0477 Benzenoids Benzenes Aminobenzoic acids 978 30753 HMDB0001392 C00568 ALYNCZNDIQEVRV-UHFFFAOYSA-N RM0156087 4-Guanidinobutanoic acid RM0128522 HMDB03464 4-Guanidinobutanoate (146.0 / 87.0) C5H11N3O2 145.0851 Organic nitrogen compounds Guanidines Guanidines 500 86564 HMDB0003464 C01035 TUHVEAJXIMEOSA-UHFFFAOYSA-N RM0128522 Dihydrothymine RM0135880 HMDB00079 "5,6-Dihydrothymine (129.0 / 69.0)" C5H8N2O2 128.0586 Organoheterocyclic compounds Cyclic ureas Ureides 93556 27468 HMDB0304210 C00906 NBAKTGXDIBVZOO-UHFFFAOYSA-N RM0135880 Dihydrouracil RM0135879 HMDB00076 "5,6-Dihydrouracil (115.0 / 70.0)" C4H6N2O2 114.0429 Nucleic acids Pyrimidines Other pyrimidines 649 15901 HMDB0000076 C00429 OIVLITBTBDPEFK-UHFFFAOYSA-N RM0135879 5-Aminopentanoic acid RM0139552 HMDB03355 5-Aminovaleric Acid (118.0 / 101.0) C5H11NO2 117.079 Fatty Acyls Fatty acids Amino FA 138 15887 HMDB0003355 LMFA01100040 C00431 JJMDCOVWQOJGCB-UHFFFAOYSA-N RM0139552 5-Methylcytidine RM0033028 HMDB00982 5-Methylcytidine (258.2 / 126.0) C10H15N3O5 257.1012 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 92918 20607 HMDB0000982 ZAYHVCMSTBRABG-JXOAFFINSA-N RM0033028 5'-Methylthioadenosine RM0136067 HMDB01173 5'-Methylthioadenosine (298.2 / 136.0) C11H15N5O3S 297.0896 Nucleic acids Purines Purine ribonucleosides 439176 17509 HMDB0001173 C00170 WUUGFSXJNOTRMR-IOSLPCCCSA-N RM0136067 N6-Methyladenosine RM0156410 HMDB04044 6-Methyladenosine (282.2 / 150.1 (2)) C11H15N5O4 281.1124 Nucleic acids Purines Purine ribonucleosides 102175 21891 HMDB0004044 VQAYFKKCNSOZKM-IOSLPCCCSA-N RM0156410 7-Methylguanine RM0156417 HMDB00897 7-Methylguanine (166.0 / 149.0) C6H7N5O 165.0651 Nucleic acids Purines Hypoxanthines 135398679 28664 HMDB0000897 C02242 FZWGECJQACGGTI-UHFFFAOYSA-N RM0156417 CAR 2:0 RM0154009 HMDB00201 Acetylcarnitine (204.1 / 85.0) C9H17NO4 203.1158 Fatty Acyls Fatty esters Acyl carnitines 18230 86045 HMDB0240771 LMFA07070049 RDHQFKQIGNGIED-QMMMGPOBSA-N RM0154009 Acetylcholine RM0041817 HMDB00895 Acetylcholine (146.0 / 87.0 (2)) C7H16NO2 146.1181 Organic nitrogen compounds Cholines Acyl cholines 187 15355 HMDB0000895 C01996 OIPILFWXSMYKGL-UHFFFAOYSA-N RM0041817 Adenosine RM0135870 HMDB00050 Adenosine (268.2 / 136.1) C10H13N5O4 267.0968 Nucleic acids Purines Purine ribonucleosides 60961 16335 HMDB0000050 C00212 OIRDTQYFTABQOQ-KQYNXXCUSA-N RM0135870 Agmatine RM0136100 HMDB01432 Agmatine (131.0 / 72.0) C5H14N4 130.1218 Alkaloids Ornithine alkaloids Polyamines 199 17431 HMDB0001432 C00179 QYPPJABKJHAVHS-UHFFFAOYSA-N RM0136100 Alanine RM0135898 HMDB00161 Alanine (90.0 / 44.0) C3H7NO2 89.0477 Organic acids Amino acids and peptides Amino acids 5950 16977 HMDB0000161 C00041 QNAYBMKLOCPYGJ-REOHCLBHSA-N RM0135898 Aminoacetone RM0136154 HMDB02134 Aminoacetone (74.0 / 56.0) C3H7NO 73.0528 Organic oxygen compounds Carbonyl compounds Other carbonyl compounds 215 17906 HMDB0002134 C01888 BCDGQXUMWHRQCB-UHFFFAOYSA-N RM0136154 5-Amino-levulinic acid RM0153225 HMDB01149 Aminolevulinate (132.0 / 114.0) C5H9NO3 131.0582 Fatty Acyls Fatty acids Amino FA 137 17549 HMDB0001149 LMFA01100055 C00430 ZGXJTSGNIOSYLO-UHFFFAOYSA-N RM0153225 Anserine RM0135907 HMDB00194 Anserine (241.1 / 109.0) C10H16N4O3 240.1222 Organic acids Amino acids and peptides Dipeptides 112072 18323 HMDB0000194 C01262 MYYIAHXIVFADCU-QMMMGPOBSA-N RM0135907 Arginine RM0135963 HMDB00517 Arginine (175.0 / 70.0) C6H14N4O2 174.1117 Organic acids Amino acids and peptides Amino acids 6322 16467 HMDB0000517 C00062 ODKSFYDXXFIFQN-BYPYZUCNSA-N RM0135963 Argininosuccinic acid RM0135871 HMDB00052 Argininosuccinate (291.2 / 70.0) C10H18N4O6 290.1226 Organic acids Amino acids and peptides Amino acids 16950 184023 HMDB0000052 C03406 KDZOASGQNOPSCU-WDSKDSINSA-N RM0135871 Asparagine RM0135724 HMDB00168 Asparagine (133.0 / 74.0) C4H8N2O3 132.0535 Organic acids Amino acids and peptides Amino acids 6267 17196 HMDB0000168 C00152 DCXYFEDJOCDNAF-REOHCLBHSA-N RM0135724 Aspartic acid RM0135905 HMDB00191 Aspartic Acid (134.0 / 74.0) C4H7NO4 133.0375 Organic acids Amino acids and peptides Amino acids 5960 17053 HMDB0000191 C00049 CKLJMWTZIZZHCS-REOHCLBHSA-N RM0135905 beta-Alanine RM0021629 HMDB00056 betaAlanine (90.0 / 72.0) C3H7NO2 89.0477 Organic acids Amino acids and peptides Amino acids 239 16958 HMDB0000056 C00099 UCMIRNVEIXFBKS-UHFFFAOYSA-N RM0021629 Betaine RM0135869 HMDB00043 Betaine (118.0 / 58.0) C5H11NO2 117.079 Organic acids Amino acids and peptides Amino acids 247 17750 HMDB0000043 KWIUHFFTVRNATP-UHFFFAOYSA-N RM0135869 Betaine aldehyde RM0041307 HMDB01252 Betaine Aldehyde (102.0 / 58.0) C5H12NO 102.0919 Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts 249 15710 HMDB0001252 C00576 SXKNCCSPZDCRFD-UHFFFAOYSA-N RM0041307 Biliverdin RM0136810 HMDB01008 Biliverdin (583.2 / 297.1) C33H34N4O6 582.2478 Organoheterocyclic compounds Bilirubins Bilirubins 5280353 17033 HMDB0001008 C00500 QBUVFDKTZJNUPP-BBROENKCSA-N RM0136810 Biopterin RM0135953 HMDB00468 Biopterin (238.1 / 220.0) C9H11N5O3 237.0862 Organoheterocyclic compounds Pterins Biopterins 135403659 63931 HMDB0000468 C06313 LHQIJBMDNUYRAM-DZSWIPIPSA-N RM0135953 Cadaverine RM0150157 HMDB02322 Cadaverine (103.0 / 86.0) C5H14N2 102.1157 Organic nitrogen compounds Amines Amines 273 18127 HMDB0002322 C01672 VHRGRCVQAFMJIZ-UHFFFAOYSA-N RM0150157 Caffeine RM0032992 HMDB01847 Caffeine (195.1 / 138.0) C8H10N4O2 194.0804 Nucleic acids Purines Xanthines 2519 27732 HMDB0001847 C07481 RYYVLZVUVIJVGH-UHFFFAOYSA-N RM0032992 "3',5' cyclic AMP" RM0135874 HMDB00058 cAMP (330.2 / 136.0) C10H12N5O6P 329.0525 Nucleic acids Purines Purine rNMP 6076 17489 HMDB0000058 C00575 IVOMOUWHDPKRLL-KQYNXXCUSA-N RM0135874 Carnitine RM0008606 HMDB00062 Carnitine (162.0 / 85.0) C7H15NO3 161.1052 Organic nitrogen compounds Carnitines Carnitines 10917 16347 HMDB0000062 C00487 PHIQHXFUZVPYII-ZCFIWIBFSA-N RM0008606 Carnosine RM0135868 HMDB00033 Carnosine (227.1 / 110.0) C9H14N4O3 226.1066 Organic acids Amino acids and peptides Dipeptides 439224 15727 HMDB0000033 C00386 CQOVPNPJLQNMDC-ZETCQYMHSA-N RM0135868 CDP RM0138946 HMDB01546 CDP (404.2 / 112.0) C9H15N3O11P2 403.0182 Nucleic acids Pyrimidines Pyrimidine rNDP 6132 17239 HMDB0001546 C00112 ZWIADYZPOWUWEW-XVFCMESISA-N RM0138946 Vitamin D3 RM0135791 HMDB00876 Cholecalciferol (385.2 / 91.0) C27H44O 384.3392 Sterol Lipids Secosterols Vitamin D3 5280795 28940 HMDB0000876 LMST03020001 C05443 QYSXJUFSXHHAJI-YRZJJWOYSA-N RM0135791 Choline RM0028739 HMDB00097 Choline (104.0 / 60.0) C5H14NO 104.1075 Organic nitrogen compounds Cholines Cholines 305 15354 HMDB0000097 C00114 OEYIOHPDSNJKLS-UHFFFAOYSA-N RM0028739 Cotinine RM0040469 HMDB01046 Cotinine (177.0 / 80.0) C10H12N2O 176.095 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 854019 68641 HMDB0001046 UIKROCXWUNQSPJ-VIFPVBQESA-N RM0040469 Creatine RM0135876 HMDB00064 Creatine (132.0 / 90.0) C4H9N3O2 131.0695 Organic acids Amino acids and peptides Amino acids 586 16919 HMDB0000064 C00300 CVSVTCORWBXHQV-UHFFFAOYSA-N RM0135876 Creatinine RM0028430 HMDB00562 Creatinine (114.0 / 44.0) C4H7N3O 113.0589 Organoheterocyclic compounds Azoles Imidazolines 137319715 16737 HMDB0000562 C00791 DDRJAANPRJIHGJ-UHFFFAOYSA-N RM0028430 Cyanocobalamin RM0157972 HMDB00607 Cyanocobalamin (Vitamin B12) (678.4 / 147.1) C63H88CoN14O14P 1354.5674 Organoheterocyclic compounds Tetrapyrroles Cobalamins 118701720 HMDB0000607 C02823 FDJOLVPMNUYSCM-UVKKECPRSA-L RM0157972 Cysteine RM0129784 HMDB00574 Cysteine (122.0 / 59.0) C3H7NO2S 121.0198 Organic acids Amino acids and peptides Amino acids 5862 35235 HMDB0000574 C00097 XUJNEKJLAYXESH-REOHCLBHSA-N RM0129784 Cys-Gly RM0137513 HMDB0000078 Cysteinyl-Glycine (Cys-Gly) (179.0 / 76.0) C5H10N2O3S 178.0412 Organic acids Amino acids and peptides Dipeptides 439498 4047 HMDB0000078 C01419 ZUKPVRWZDMRIEO-VKHMYHEASA-N RM0137513 Cystine RM0135906 HMDB00192 Cystine (241.1 / 120.1) C6H12N2O4S2 240.0239 Organic acids Amino acids and peptides Amino acids 67678 16283 HMDB0000192 C00491 LEVWYRKDKASIDU-IMJSIDKUSA-N RM0135906 Cytidine RM0138922 HMDB00089 Cytidine (244.2 / 112.1) C9H13N3O5 243.0855 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 6175 17562 HMDB0000089 C00475 UHDGCWIWMRVCDJ-XVFCMESISA-N RM0138922 Cytosine RM0050550 HMDB00630 Cytosine (112.0 / 95.0) C4H5N3O 111.0433 Nucleic acids Pyrimidines Pyrimidones 597 16040 HMDB0000630 C00380 OPTASPLRGRRNAP-UHFFFAOYSA-N RM0050550 3-Dehydroxycarnitine RM0136342 HMDB01161 Deoxycarnitine (147.0 / 87.0) C7H15NO2 145.1103 Fatty Acyls Fatty esters Acyl carnitines 725 16244 HMDB0001161 C01181 JHPNVNIEXXLNTR-UHFFFAOYSA-N RM0136342 Deoxyguanosine RM0042978 HMDB00085 Deoxyguanosine (268.2 / 152.0) C10H13N5O4 267.0968 Nucleic acids Purines Purine deoxyribonucleosides 135398592 17172 HMDB0000085 C00330 YKBGVTZYEHREMT-KVQBGUIXSA-N RM0042978 Dimethylarginine RM0131870 HMDB01539/HMDB03334 Dimethylarginine (A/SDMA) (203.1 / 70.0) C8H18N4O2 202.143 Organic acids Amino acids and peptides Amino acids 123831 17929 HMDB0001539 C03626 YDGMGEXADBMOMJ-LURJTMIESA-N RM0131870 Dimethylglycine RM0135883 HMDB00092 Dimethylglycine (104.0 / 58.0) C4H9NO2 103.0633 Organic acids Amino acids and peptides Amino acids 673 17724 HMDB0000092 C01026 FFDGPVCHZBVARC-UHFFFAOYSA-N RM0135883 DOPA RM0138924 HMDB00609 DL DOPA (198.1 / 152.0) C9H11NO4 197.0688 Organic acids Amino acids and peptides Amino acids 6047 15765 HMDB0000181 C00355 WTDRDQBEARUVNC-LURJTMIESA-N RM0138924 Epinephrine RM0046981 HMDB00068 Epinephrine (184.1 / 166.0) C9H13NO3 183.0895 Alkaloids Tyrosine alkaloids Phenylethylamines 5816 28918 HMDB0000068 C00788 UCTWMZQNUQWSLP-VIFPVBQESA-N RM0046981 Vitamin D2 RM0161012 HMDB00900 Ergocalciferol (397.2 / 91.0) C28H44O 396.3392 Sterol Lipids Secosterols Vitamin D2 5280793 28934 HMDB0000900 LMST03010001 C05441 MECHNRXZTMCUDQ-RKHKHRCZSA-N RM0161012 Ethanolamine RM0040238 HMDB00149 Ethanolamine (62.0 / 44.0) C2H7NO 61.0528 Organic nitrogen compounds Amines "1,2-aminoalcohols" 700 16000 HMDB0000149 C00189 HZAXFHJVJLSVMW-UHFFFAOYSA-N RM0040238 FAD RM0138943 HMDB01248 FAD (786.2 / 348.0) C27H33N9O15P2 785.1571 Nucleic acids Flavins Flavin nucleotides 643975 16238 HMDB0001248 C00016 VWWQXMAJTJZDQX-UYBVJOGSSA-N RM0138943 Folic acid RM0135886 HMDB00121 Folic Acid (442.2 / 295.0) C19H19N7O6 441.1397 Organoheterocyclic compounds Pterins Folic acids 135398658 27470 HMDB0000121 C00504 OVBPIULPVIDEAO-LBPRGKRZSA-N RM0135886 Gluconolactone RM0049636 HMDB00150 Gluconolactone (179.0 / 82.0) C6H10O6 178.0477 Carbohydrates Monosaccharides Monosaccharides 7027 16217 HMDB0000150 C00198 PHOQVHQSTUBQQK-SQOUGZDYSA-N RM0049636 Glucosamine RM0161368 HMDB0001514 Glucosamine (180.1 / 162.0) C6H13NO5 179.0794 Carbohydrates Monosaccharides Amino sugars 441477 28393 HMDB0030091 C00329 MSWZFWKMSRAUBD-QZABAPFNSA-N RM0161368 Glutamic acid RM0135893 HMDB0000148 Glutamic acid (148.0 / 84.0) C5H9NO4 147.0532 Organic acids Amino acids and peptides Amino acids 33032 16015 HMDB0000148 C00025 WHUUTDBJXJRKMK-VKHMYHEASA-N RM0135893 Glutamine RM0012560 HMDB00641 Glutamine (147.0 / 84.0) C5H10N2O3 146.0691 Organic acids Amino acids and peptides Amino acids 5961 18050 HMDB0000641 C00064 ZDXPYRJPNDTMRX-VKHMYHEASA-N RM0012560 CAR DC5:0 RM0153962 HMDB13130 Glutarylcarnitine (276.2 / 85.0) C12H21NO6 275.1369 Fatty Acyls Fatty esters Acyl carnitines 71317118 165628 HMDB0013130 LMFA07070066 NXJAXUYOQLTISD-SECBINFHSA-N RM0153962 sn-Glycero-3-phosphocholine RM0110472 HMDB00086 Glycerophosphocholine (258.2 / 104.0) C8H20NO6P 257.1028 Organic acids Organic phosphoric acids Organic phosphoric acids 657272 16870 HMDB0000086 SUHOQUVVVLNYQR-MRVPVSSYSA-N RM0110472 Glycine RM0135888 HMDB00123 Glycine (76.0 / 30.0) C2H5NO2 75.032 Organic acids Amino acids and peptides Amino acids 750 15428 HMDB0000123 C00037 DHMQDGOQFOQNFH-UHFFFAOYSA-N RM0135888 GMP RM0033601 HMDB01397 GMP (364.2 / 152.0) C10H14N5O8P 363.058 Nucleic acids Purines Purine rNMP 135398631 17345 HMDB0001397 C00144 RQFCJASXJCIDSX-UUOKFMHZSA-N RM0033601 Guanine RM0018303 HMDB00132 Guanine (152.0 / 135.0) C5H5N5O 151.0494 Nucleic acids Purines Hypoxanthines 135398634 16235 HMDB0000132 C00242 UYTPUPDQBNUYGX-UHFFFAOYSA-N RM0018303 Guanosine RM0156423 HMDB00133 Guanosine (284.2 / 152.1) C10H13N5O5 283.0917 Nucleic acids Purines Purine ribonucleosides 135398635 16750 HMDB0000133 C00387 NYHBQMYGNKIUIF-UUOKFMHZSA-N RM0156423 Histamine RM0042526 HMDB00870 Histamine (112.0 / 95.0 (2)) C5H9N3 111.0796 Alkaloids Histidine alkaloids Imidazole alkaloids 774 18295 HMDB0000870 C00388 NTYJJOPFIAHURM-UHFFFAOYSA-N RM0042526 Histidine RM0129894 HMDB00177 Histidine (156.0 / 110.0) C6H9N3O2 155.0695 Organic acids Amino acids and peptides Amino acids 6274 15971 HMDB0000177 C00135 HNDVDQJCIGZPNO-YFKPBYRVSA-N RM0129894 Homoarginine RM0135972 HMDB00670 Homoarginine (189.1 / 144.0) C7H16N4O2 188.1273 Organic acids Amino acids and peptides Amino acids 9085 27747 HMDB0000670 C01924 QUOGESRFPZDMMT-YFKPBYRVSA-N RM0135972 Homocitrulline RM0138931 HMDB00679 Homocitrulline (190.1 / 173.0) C7H15N3O3 189.1113 Organic acids Amino acids and peptides Amino acids 65072 17443 HMDB0000679 C02427 XIGSAGMEBXLVJJ-YFKPBYRVSA-N RM0138931 Homocysteine RM0136837 HMDB00742 Homocysteine (136.0 / 90.0) C4H9NO2S 135.0354 Organic acids Amino acids and peptides Amino acids 91552 17588 HMDB0000742 C00155 FFFHZYDWPBMWHY-VKHMYHEASA-N RM0136837 trans-4-Hydroxyproline RM0128618 HMDB00725 Hydroxyproline (132.0 / 86.2) C5H9NO3 131.0582 Organic acids Amino acids and peptides Amino acids 5810 18095 HMDB0000725 C01157 PMMYEEVYMWASQN-DMTCNVIQSA-N RM0128618 Hypotaurine RM0136027 HMDB00965 Hypotaurine (110.0 / 92.0) C2H7NO2S 109.0198 Organic acids Sulfinic acids Sulfinic acids 107812 16668 HMDB0000965 C00519 VVIUBCNYACGLLV-UHFFFAOYSA-N RM0136027 Imidazolepropionic acid RM0136178 HMDB02271 Imidazole Propionate (141.0 / 123.0) C6H8N2O2 140.0586 Alkaloids Histidine alkaloids Imidazole alkaloids 70630 73087 HMDB0002271 ZCKYOWGFRHAZIQ-UHFFFAOYSA-N RM0136178 Imidazoleacetic acid RM0009104 HMDB02024 Imidazoleacetic Acid (127.0 / 81.0) C5H6N2O2 126.0429 Alkaloids Histidine alkaloids Imidazole alkaloids 96215 16974 HMDB0002024 C02835 PRJKNHOMHKJCEJ-UHFFFAOYSA-N RM0009104 Indole RM0135985 HMDB00738 Indole (118.0 / 91.0) C8H7N 117.0578 Alkaloids Tryptophan alkaloids Simple indole alkaloids 798 16881 HMDB0000738 C00463 SIKJAQJRHWYJAI-UHFFFAOYSA-N RM0135985 Inosine RM0135908 HMDB00195 Inosine (269.2 / 137.1) C10H12N4O5 268.0808 Nucleic acids Purines Purine ribonucleosides 135398641 17596 HMDB0000195 C00294 UGQMRVRMYYASKQ-KQYNXXCUSA-N RM0135908 Isoleucine RM0134975 HMDB00172/HMDB00557 iso-Leucine /allo-isoLeucine (132.0 / 86.0 (2)) C6H13NO2 131.0946 Organic acids Amino acids and peptides Amino acids 6306 17191 HMDB0000172 LMFA01100047 C00407 AGPKZVBTJJNPAG-WHFBIAKZSA-N RM0134975 CAR 4:0;3Me RM0154016 HMDB00688 isoValerylcarnitine (246.2 / 85.0) C12H23NO4 245.1627 Fatty Acyls Fatty esters Acyl carnitines 169235 70819 HMDB0000688 LMFA07070077 IGQBPDJNUXPEMT-SNVBAGLBSA-N RM0154016 2S-Aminobutyric acid RM0134971 HMDB00452 L-2-Aminobutyric Acid (104.0 / 30.0) C4H9NO2 103.0633 Organic acids Amino acids and peptides Amino acids 80283 35619 HMDB0000452 LMFA01100034 C02356 QWCKQJZIFLGMSD-VKHMYHEASA-N RM0134971 Leucine RM0136379 HMDB00687 Leucine /D-Norleucine (132.0 / 86.0) C6H13NO2 131.0946 Organic acids Amino acids and peptides Amino acids 6106 15603 HMDB0000687 C00123 ROHFNLRQFUQHCH-YFKPBYRVSA-N RM0136379 Kynurenine RM0132226 HMDB00684 L-Kynurenine (209.1 / 94.0) C10H12N2O3 208.0848 Organic acids Amino acids and peptides Amino acids 161166 16946 HMDB0000684 C00328 YGPSJZOEDVAXAB-QMMMGPOBSA-N RM0132226 Lysine RM0135903 HMDB00182 Lysine (147.0 / 84.0 (2)) C6H14N2O2 146.1055 Organic acids Amino acids and peptides Amino acids 5962 18019 HMDB0000182 C00047 KDXKERNSBIXSRK-YFKPBYRVSA-N RM0135903 Methionine RM0161726 HMDB00696 Methionine (150.0 / 61.0) C5H11NO2S 149.0511 Organic acids Amino acids and peptides Amino acids 6137 16643 HMDB0000696 C00073 FFEARJCKVFRZRR-BYPYZUCNSA-N RM0161726 Methionine sulfoxide RM0050489 HMDB02005 Methionine Sulfoxide (166.0 / 74.0) C5H11NO3S 165.046 Organic acids Amino acids and peptides Amino acids 10062737 49032 HMDB0002005 QEFRNWWLZKMPFJ-ZXPFJRLXSA-N RM0050489 Methylcobalamin RM0109596 HMDB02274 Methylcobalamin (672.8 / 665.3) C63H92CoN13O14P 1344.5956 Organoheterocyclic compounds Tetrapyrroles Cobalamins 123134034 28115 HMDB0002274 QXOMMGINPOYKPR-WYVZQNDMSA-M RM0109596 "N2,N2-Dimethylguanosine" RM0136278 HMDB04824 "N2,N2-Dimethylguanosine (312.2 / 180.1)" C12H17N5O5 311.123 Nucleic acids Purines Purine ribonucleosides 135501639 19289 HMDB0004824 RSPURTUNRHNVGF-IOSLPCCCSA-N RM0136278 N6-Acetyllysine RM0135910 HMDB00206 N6-Acetyl-Lysine (189.1 / 126.0) C8H16N2O3 188.1161 Organic acids Amino acids and peptides Amino acids 92832 17752 HMDB0000206 C02727 DTERQYGMUDWYAZ-ZETCQYMHSA-N RM0135910 N-6-Trimethyllysine RM0009124 HMDB01325 N6-Trimethyllysine (189.1 / 84.0) C9H20N2O2 188.1525 Organic acids Amino acids and peptides Amino acids 440120 165870 HMDB0001325 C03793 MXNRLFUSFKVQSK-QMMMGPOBSA-N RM0009124 N-Acetylarginine RM0132228 HMDB04620 N-Ac-Arginine (217.1 / 158.0) C8H16N4O3 216.1222 Organic acids Amino acids and peptides Amino acids 67427 40521 HMDB0004620 SNEIUMQYRCDYCH-LURJTMIESA-N RM0132228 N-Acetylornithine RM0136214 HMDB03357 N-Acetylornithine (175.0 / 115.0) C7H14N2O3 174.1004 Organic acids Amino acids and peptides Amino acids 439232 16543 HMDB0003357 C00437 JRLGPAXAGHMNOL-LURJTMIESA-N RM0136214 N-Acetylputrescine RM0136156 HMDB02064 N-Acetylputrescine (131.0 / 114.0) C6H14N2O 130.1106 Alkaloids Ornithine alkaloids Polyamines 122356 17768 HMDB0002064 C02714 KLZGKIDSEJWEDW-UHFFFAOYSA-N RM0136156 NAD RM0133217 HMDB00902 NAD (664.2 / 428.0) C21H27N7O14P2 663.1091 Nucleic acids Nicotinamides Nicotinamide dinucleotides 5892 44215 HMDB0000902 C00003 BAWFJGJZGIEFAR-NNYOXOHSSA-N RM0133217 NADPH RM0157850 HMDB00221 NADPH (746.2 / 729.0) C21H30N7O17P3 745.0911 Nucleic acids Nicotinamides Nicotinamide dinucleotides 5884 16474 HMDB0000221 C00005 ACFIXJIJDZMPPO-NNYOXOHSSA-N RM0157850 Neopterin RM0029599 HMDB00845 Neopterin (254.2 / 206.0) C9H11N5O4 253.0811 Organoheterocyclic compounds Pterins Biopterins 135408877 HMDB0000845 C05926 BMQYVXCPAOLZOK-UHFFFAOYSA-N RM0029599 Gly-Pro RM0009959 HMDB00721 n-Glycylproline (173.0 / 116.0) C7H12N2O3 172.0848 Organic acids Amino acids and peptides Dipeptides 3013625 70744 HMDB0000721 KZNQNBZMBZJQJO-YFKPBYRVSA-N RM0009959 Niacinamide RM0156450 HMDB01406 Niacinamide (123.0 / 80.0) C6H6N2O 122.048 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 936 17154 HMDB0001406 C00153 DFPAKSUCGFBDDF-UHFFFAOYSA-N RM0156450 Norepinephrine RM0135913 HMDB00216 Norepinephrine (170.0 / 152.0) C8H11NO3 169.0739 Alkaloids Tyrosine alkaloids Phenylethylamines 439260 18357 HMDB0000216 C00547 SFLSHLFXELFNJZ-QMMMGPOBSA-N RM0135913 Normetanephrine RM0108640 HMDB00819 Normetanephrine (166.0 / 121.0) C9H13NO3 183.0895 Alkaloids Tyrosine alkaloids Phenylethylamines 688100 6277 HMDB0000819 C05589 YNYAYWLBAHXHLL-QMMMGPOBSA-N RM0108640 Ornithine RM0135912 HMDB0000214 Ornithine (133.0 / 70.0) C5H12N2O2 132.0899 Organic acids Amino acids and peptides Amino acids 6262 15729 HMDB0000214 C00077 AHLPHDHHMVZTML-BYPYZUCNSA-N RM0135912 Phenylalanine RM0135897 HMDB00159 Phenylalanine (166.0 / 120.0) C9H11NO2 165.079 Organic acids Amino acids and peptides Amino acids 6140 17295 HMDB0000159 C00079 COLNVLDHVKWLRT-QMMMGPOBSA-N RM0135897 Phosphocreatine RM0009827 HMDB01511 Phosphocreatine (212.1 / 114.0) C4H10N3O5P 211.0358 Organic acids Amino acids and peptides Amino acids 9548602 17287 HMDB0001511 C02305 DRBBFCLWYRJSJZ-UHFFFAOYSA-N RM0009827 Choline phosphate RM0007522 HMDB01565 Phosphorylcholine (185.1 / 87.0) C5H14NO4P 183.066 Organic nitrogen compounds Cholines Cholines 135437 18132 HMDB0001565 YHHSONZFOIEMCP-UHFFFAOYSA-N RM0007522 O-Phosphotyrosine RM0132196 HMDB06049 Phosphotyrosine (262.2 / 216.0) C9H12NO6P 261.0402 Organic acids Amino acids and peptides Amino acids 30819 37788 HMDB0006049 C06501 DCWXELXMIBXGTH-QMMMGPOBSA-N RM0132196 Pipecolic acid RM0135981 HMDB00070 Pipecolate (130.0 / 84.0 (2)) C6H11NO2 129.079 Organic acids Amino acids and peptides Amino acids 439227 30913 HMDB0000716 C00408 HXEACLLIILLPRG-YFKPBYRVSA-N RM0135981 Proline RM0135899 HMDB00162 Proline (116.0 / 70.0) C5H9NO2 115.0633 Organic acids Amino acids and peptides Amino acids 145742 17203 HMDB0000162 C00148 ONIBWKKTOPOVIA-BYPYZUCNSA-N RM0135899 Putrescine RM0139715 HMDB01414 Putrescine (89.0 / 72.0) C4H12N2 88.1 Organic nitrogen compounds Amines Amines 1045 17148 HMDB0001414 C00134 KIDHWZJUCRJVML-UHFFFAOYSA-N RM0139715 Pyridoxamine RM0136099 HMDB01431 Pyridoxamine (169.0 / 152.0) C8H12N2O2 168.0899 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 1052 16410 HMDB0001431 C00534 NHZMQXZHNVQTQA-UHFFFAOYSA-N RM0136099 Pyroglutamic acid RM0135924 HMDB00267 Pyroglutamic Acid (130.0 / 84.0) C5H7NO3 129.0426 Organic acids Amino acids and peptides Amino acids 7405 18183 HMDB0000267 C01879 ODHCTXKNWHHXJC-VKHMYHEASA-N RM0135924 Retinal RM0042985 HMDB01358 Retinal (285.2 / 161.0) C20H28O 284.214 Prenol Lipids Isoprenoids Retinoids 638015 17898 HMDB0001358 LMPR01090002 C00376 NCYCYZXNIZJOKI-OVSJKPMPSA-N RM0042985 Retinol RM0118412 HMDB00305 Retinol (287.2 / 269.1) C20H30O 286.2297 Prenol Lipids Isoprenoids Retinoids 445354 17336 HMDB0000305 LMPR01090001 C00473 FPIPGXGPPPQFEQ-OVSJKPMPSA-N RM0118412 Riboflavin RM0135919 HMDB00244 Riboflavin (377.2 / 243.0) C17H20N4O6 376.1383 Organoheterocyclic compounds Alloxazines and isoalloxazines Flavins 493570 17015 HMDB0000244 C00255 AUNGANRZJHBGPY-SCRDCRAPSA-N RM0135919 S-Adenosylmethionine RM0138941 HMDB01185 S-Adenosylmethionine (SAM) (399.2 / 250.0) C15H23N6O5S 399.1451 Nucleic acids Purines Other purines 34756 15414 HMDB0001185 C00019 MEFKEPWMEQBLKI-AIRLBKTGSA-O RM0138941 S-Adenosylhomocysteine RM0136025 HMDB0000939 SAH (385.2 / 136.0) C14H20N6O5S 384.1216 Nucleic acids Purines Other purines 439155 16680 HMDB0000939 C00021 ZJUKTBDSGOFHSH-WFMPWKQPSA-N RM0136025 Salicyluric acid RM0136008 HMDB00840 Salicylurate (196.1 / 121.0) C9H9NO4 195.0532 Benzenoids Benzenes Hydroxybenzoic acids 10253 9008 HMDB0000840 C07588 ONJSZLXSECQROL-UHFFFAOYSA-N RM0136008 Sarcosine RM0135925 HMDB00271 Sarcosine (90.0 / 44.0 (2)) C3H7NO2 89.0477 Organic acids Amino acids and peptides Amino acids 1088 15611 HMDB0000271 C00213 FSYKKLYZXJSNPZ-UHFFFAOYSA-N RM0135925 Selenomethionine RM0031733 HMDB03966 Selenomethionine (198.1 / 181.0) C5H11NO2Se 196.9955 Organic acids Amino acids and peptides Amino acids 105024 30021 HMDB0003966 C05335 RJFAYQIBOAGBLC-BYPYZUCNSA-N RM0031733 Se-Methylselenocysteine RM0136259 HMDB04113 Se-Methylselenocysteine (184.1 / 167.0) C4H9NO2Se 182.9798 Organic acids Amino acids and peptides Amino acids 147004 27812 HMDB0004113 C05689 XDSSPSLGNGIIHP-VKHMYHEASA-N RM0136259 Serine RM0032433 HMDB00187 Serine (106.0 / 60.0 (2)) C3H7NO3 105.0426 Organic acids Amino acids and peptides Amino acids 5951 17115 HMDB0000187 C00065 MTCFGRXMJLQNBG-REOHCLBHSA-N RM0032433 Serotonin RM0050344 HMDB00259 Serotonin (160.0 / 115.0) C10H12N2O 176.095 Alkaloids Tryptophan alkaloids Tryptamines 5202 28790 HMDB0000259 C00780 QZAYGJVTTNCVMB-UHFFFAOYSA-N RM0050344 Methylcysteine RM0012952 HMDB02108 S-Methylcysteine (136.0 / 119.0) C4H9NO2S 135.0354 Organic acids Amino acids and peptides Amino acids 24417 45658 HMDB0302211 IDIDJDIHTAOVLG-VKHMYHEASA-N RM0012952 Spermidine RM0041813 HMDB01257 Spermidine (146.0 / 72.0) C7H19N3 145.1579 Alkaloids Ornithine alkaloids Polyamines 1102 16610 HMDB0001257 C00315 ATHGHQPFGPMSJY-UHFFFAOYSA-N RM0041813 Spermine RM0033343 HMDB01256 Spermine (203.1 / 129.0) C10H26N4 202.2157 Alkaloids Ornithine alkaloids Polyamines 1103 15746 HMDB0001256 C00750 PFNFFQXMRSDOHW-UHFFFAOYSA-N RM0033343 CAR DC4:0 RM0154186 HMDB61717 Succinylcarnitine (262.2 / 85.0) C11H19NO6 261.1212 Fatty Acyls Fatty esters Acyl carnitines 71464481 73034 HMDB0061717 LMFA07070101 HAEVNYBCYZZDFL-UHFFFAOYSA-N RM0154186 Taurine RM0118223 HMDB00251 Taurine (126.0 / 108.0) C2H7NO3S 125.0147 Organic acids Sulfonic acids Sulfonic acids 1123 15891 HMDB0000251 C00245 XOAAWQZATWQOTB-UHFFFAOYSA-N RM0118223 Taurocyamine RM0136238 HMDB03584 Taurocyamine (168.0 / 126.0) C3H9N3O3S 167.0365 Organic acids Sulfonic acids Sulfonic acids 68340 17228 HMDB0003584 C01959 JKLRIMRKZBSSED-UHFFFAOYSA-N RM0136238 Theobromine RM0159435 HMDB02825 Theobromine (181.1 / 138.0) C7H8N4O2 180.0647 Nucleic acids Purines Xanthines 5429 28946 HMDB0002825 C07480 YAPQBXQYLJRXSA-UHFFFAOYSA-N RM0159435 Thiamine RM0135917 HMDB00235 Thiamine (265.2 / 122.0) C12H17N4OS 265.1123 Nucleic acids Pyrimidines Thiamines 1130 18385 HMDB0000235 C00378 JZRWCGZRTZMZEH-UHFFFAOYSA-N RM0135917 Thiamine diphosphate RM0159438 HMDB0001372 Thiamine pyrophosphate (425.2 / 122.0) C12H19N4O7P2S 425.045 Nucleic acids Pyrimidines Thiamines 1132 9532 HMDB0001372 C00068 AYEKOFBPNLCAJY-UHFFFAOYSA-O RM0159438 Threonine RM0135900 HMDB00167 Threonine (120.0 / 74.0) C4H9NO3 119.0582 Organic acids Amino acids and peptides Amino acids 6288 16857 HMDB0000167 C00188 AYFVYJQAPQTCCC-GBXIJSLDSA-N RM0135900 Thyroxine RM0135922 HMDB00248 Thyroxine (777.5 / 731.6) C15H11I4NO4 776.6867 Organic acids Amino acids and peptides Amino acids 5819 18332 HMDB0000248 C01829 XUIIKFGFIJCVMT-LBPRGKRZSA-N RM0135922 Trigonelline RM0136017 HMDB00875 Trigonelline (138.0 / 94.0) C7H7NO2 137.0477 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 5570 18123 HMDB0000875 C01004 WWNNZCOKKKDOPX-UHFFFAOYSA-N RM0136017 Trimethylamine RM0136020 HMDB00906 Trimethylamine (TMA) (60.0 / 44.0) C3H9N 59.0735 Organic nitrogen compounds Amines Tertiary amines 1146 18139 HMDB0000906 C00565 GETQZCLCWQTVFV-UHFFFAOYSA-N RM0136020 Trimethylamine N-oxide RM0156066 HMDB00925 Trimethylamine-N-Oxide (TMAO) (76.0 / 58.0) C3H9NO 75.0684 Organic nitrogen compounds Amine oxides Trisubstituted amine oxides 1145 15724 HMDB0000925 C01104 UYPYRKYUKCHHIB-UHFFFAOYSA-N RM0156066 Tryptamine RM0049799 HMDB00303 Tryptamine (161.0 / 144.0) C10H12N2 160.1 Alkaloids Tryptophan alkaloids Tryptamines 1150 16765 HMDB0000303 C00398 APJYDQYYACXCRM-UHFFFAOYSA-N RM0049799 Tryptophan RM0136024 HMDB00929 Tryptophan (205.1 / 146.0) C11H12N2O2 204.0899 Organic acids Amino acids and peptides Amino acids 6305 16828 HMDB0000929 C00078 QIVBCDIJIAJPQS-VIFPVBQESA-N RM0136024 Tyramine RM0135807 HMDB00306 Tyramine (138.0 / 121.0) C8H11NO 137.0841 Alkaloids Tyrosine alkaloids Phenylethylamines 5610 15760 HMDB0000306 C00483 DZGWFCGJZKJUFP-UHFFFAOYSA-N RM0135807 Tyrosine RM0135896 HMDB00158 Tyrosine (182.1 / 136.0) C9H11NO3 181.0739 Organic acids Amino acids and peptides Amino acids 6057 17895 HMDB0000158 C00082 OUYCCCASQSFEME-QMMMGPOBSA-N RM0135896 Ubiquinol-10 RM0118478 HMDB13111 Ubiquinol (866.2 / 197.0) C59H92O4 864.6996 Prenol Lipids Quinones and hydroquinones Ubiquinones 9962735 64183 HMDB0013111 QNTNKSLOFHEFPK-UPTCCGCDSA-N RM0118478 UMP RM0135929 HMDB0000288 UMP (325.2 / 97.0) C9H13N2O9P 324.0359 Nucleic acids Pyrimidines Pyrimidine rNMP 6030 16695 HMDB0000288 C00105 DJJCXFVJDGTHFX-XVFCMESISA-N RM0135929 Uridine RM0135933 HMDB00296 Uridine (245.2 / 113.1) C9H12N2O6 244.0695 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 6029 16704 HMDB0000296 C00299 DRTQHJPVMGBUCF-XVFCMESISA-N RM0135933 Valine RM0136018 HMDB00883 Valine (118.0 / 72.0) C5H11NO2 117.079 Organic acids Amino acids and peptides Amino acids 6287 16414 HMDB0000883 C00183 KZSNJWFQEVHDMF-BYPYZUCNSA-N RM0136018 Vitamin K1 RM0135433 HMDB03555 Vitamin K1 (451.2 / 187.0) C31H46O2 450.3498 Prenol Lipids Quinones and hydroquinones Vitamin K 5284607 18067 HMDB0003555 LMPR02030028 C02059 MBWXNTAXLNYFJB-NKFFZRIASA-N RM0135433 METABOLITES_END #END