#METABOLOMICS WORKBENCH SIMR_Core_Facility_20240102_224325 DATATRACK_ID:4552 STUDY_ID:ST003039 ANALYSIS_ID:AN004986 PROJECT_ID:PR001891 VERSION 1 CREATED_ON January 9, 2024, 12:14 pm #PROJECT PR:PROJECT_TITLE A Non-Targeted Metabolomics Comparative Study on Plasma of Pfizer and Sinopharm PR:PROJECT_TITLE COVID- 19 Vaccinated individuals, Assessed by (TIMS-QTOF) Mass Spectrometry. PR:PROJECT_SUMMARY COVID-19 is a contagious globally threatening infectious disease that accounted PR:PROJECT_SUMMARY for an ongoing pandemic that manifested in multi-organs diseases and failures. PR:PROJECT_SUMMARY The current study aimed to investigate the effectiveness of the Pfizer and PR:PROJECT_SUMMARY Sinopharm vaccines in relation to metabolomic alterations and their association PR:PROJECT_SUMMARY with immune pathways. The study employed a cross-sectional design and utilized PR:PROJECT_SUMMARY an untargeted metabolomics-based approach. Plasma samples were collected from PR:PROJECT_SUMMARY three groups: non- vaccinated participants, Sinopharm vaccinated participants, PR:PROJECT_SUMMARY and Pfizer vaccinated participants. Comparative metabolomic analysis was PR:PROJECT_SUMMARY performed using TIMS-QTOF, and a one-way ANOVA test was conducted using PR:PROJECT_SUMMARY MetaboAnalyst Software. Out of the 105 detected metabolites, 72 showed PR:PROJECT_SUMMARY statistically significant alterations (p<0.05) among the different groups. PR:PROJECT_SUMMARY Several metabolites, including neopterin, pyridoxal, and syringic acid, were PR:PROJECT_SUMMARY highly altered in individuals vaccinated with Pfizer. On the other hand, PR:PROJECT_SUMMARY sphinganine, neopterin, and sphingosine were impacted in individuals vaccinated PR:PROJECT_SUMMARY with Sinopharm. These metabolites could potentially serve as biomarkers for PR:PROJECT_SUMMARY vaccine efficacy. Furthermore, both Pfizer and Sinopharm vaccinations were found PR:PROJECT_SUMMARY to affect sphingolipid metabolism pathways and histidine metabolism pathways PR:PROJECT_SUMMARY when compared to the control group. The Sinopharm group exhibited altered lysine PR:PROJECT_SUMMARY degradation compared to the control group. When comparing the enriched pathways PR:PROJECT_SUMMARY of the Pfizer and Sinopharm groups, purine metabolism was found to be affected. PR:PROJECT_SUMMARY Additionally, perturbations in tryptophan metabolism and vitamin B6 metabolism PR:PROJECT_SUMMARY were observed when comparing the Pfizer group with both the control and PR:PROJECT_SUMMARY Sinopharm groups. These findings highlight the importance of metabolomics in PR:PROJECT_SUMMARY assessing vaccine effectiveness and identifying potential biomarkers. PR:INSTITUTE Sharjah Institute for Medical Research PR:LAST_NAME Facility PR:FIRST_NAME Core PR:ADDRESS M32, SIMR, College of Pharmacy, Health Sciences, University of Sharjah, Sharjah, PR:ADDRESS UAE, Sharjah, 000, United Arab Emirates PR:EMAIL tims-tof@sharjah.ac.ae PR:PHONE +971 6 5057656 #STUDY ST:STUDY_TITLE A Non-Targeted Metabolomics Comparative Study on Plasma of Pfizer and Sinopharm ST:STUDY_TITLE COVID- 19 Vaccinated individuals, Assessed by (TIMS-QTOF) Mass Spectrometry. ST:STUDY_SUMMARY COVID-19 is a contagious globally threatening infectious disease that accounted ST:STUDY_SUMMARY for an ongoing pandemic that manifested in multi-organs diseases and failures. ST:STUDY_SUMMARY The current study aimed to investigate the effectiveness of the Pfizer and ST:STUDY_SUMMARY Sinopharm vaccines in relation to metabolomic alterations and their association ST:STUDY_SUMMARY with immune pathways. The study employed a cross-sectional design and utilized ST:STUDY_SUMMARY an untargeted metabolomics-based approach. Plasma samples were collected from ST:STUDY_SUMMARY three groups: non- vaccinated participants, Sinopharm vaccinated participants, ST:STUDY_SUMMARY and Pfizer vaccinated participants. Comparative metabolomic analysis was ST:STUDY_SUMMARY performed using TIMS-QTOF, and a one-way ANOVA test was conducted using ST:STUDY_SUMMARY MetaboAnalyst Software. Out of the 105 detected metabolites, 72 showed ST:STUDY_SUMMARY statistically significant alterations (p<0.05) among the different groups. ST:STUDY_SUMMARY Several metabolites, including neopterin, pyridoxal, and syringic acid, were ST:STUDY_SUMMARY highly altered in individuals vaccinated with Pfizer. On the other hand, ST:STUDY_SUMMARY sphinganine, neopterin, and sphingosine were impacted in individuals vaccinated ST:STUDY_SUMMARY with Sinopharm. These metabolites could potentially serve as biomarkers for ST:STUDY_SUMMARY vaccine efficacy. Furthermore, both Pfizer and Sinopharm vaccinations were found ST:STUDY_SUMMARY to affect sphingolipid metabolism pathways and histidine metabolism pathways ST:STUDY_SUMMARY when compared to the control group. The Sinopharm group exhibited altered lysine ST:STUDY_SUMMARY degradation compared to the control group. When comparing the enriched pathways ST:STUDY_SUMMARY of the Pfizer and Sinopharm groups, purine metabolism was found to be affected. ST:STUDY_SUMMARY Additionally, perturbations in tryptophan metabolism and vitamin B6 metabolism ST:STUDY_SUMMARY were observed when comparing the Pfizer group with both the control and ST:STUDY_SUMMARY Sinopharm groups. These findings highlight the importance of metabolomics in ST:STUDY_SUMMARY assessing vaccine effectiveness and identifying potential biomarkers. ST:INSTITUTE Sharjah Institute for Medical Research ST:LAST_NAME Facility ST:FIRST_NAME Core ST:ADDRESS M32, SIMR, College of Pharmacy, Health Sciences, University of Sharjah, Sharjah, ST:ADDRESS UAE, Sharjah, 000, United Arab Emirates ST:EMAIL tims-tof@sharjah.ac.ae ST:PHONE +971 6 5057656 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male #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 - Dual 123-8783 Treatment:Dual RAW_FILE_NAME=Dual 123-8783.d SUBJECT_SAMPLE_FACTORS - Dual 372-8784 Treatment:Dual RAW_FILE_NAME=Dual 372-8784.d SUBJECT_SAMPLE_FACTORS - Dual 414-8785 Treatment:Dual RAW_FILE_NAME=Dual 414-8785.d SUBJECT_SAMPLE_FACTORS - Dual 517-8786 Treatment:Dual RAW_FILE_NAME=Dual 517-8786.d SUBJECT_SAMPLE_FACTORS - Dual 573-8787 Treatment:Dual RAW_FILE_NAME=Dual 573-8787.d SUBJECT_SAMPLE_FACTORS - Dual 59-8782 Treatment:Dual RAW_FILE_NAME=Dual 59-8782.d SUBJECT_SAMPLE_FACTORS - 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Sin 121-8612 Treatment:Sinopharm RAW_FILE_NAME=Sin 121-8612.d SUBJECT_SAMPLE_FACTORS - Sin 125-8613 Treatment:Sinopharm RAW_FILE_NAME=Sin 125-8613.d SUBJECT_SAMPLE_FACTORS - Sin 128-8614 Treatment:Sinopharm RAW_FILE_NAME=Sin 128-8614.d SUBJECT_SAMPLE_FACTORS - Sin 15-8586 Treatment:Sinopharm RAW_FILE_NAME=Sin 15-8586.d SUBJECT_SAMPLE_FACTORS - Sin 150-8615 Treatment:Sinopharm RAW_FILE_NAME=Sin 150-8615.d SUBJECT_SAMPLE_FACTORS - Sin 151-8616 Treatment:Sinopharm RAW_FILE_NAME=Sin 151-8616.d SUBJECT_SAMPLE_FACTORS - Sin 153-8617 Treatment:Sinopharm RAW_FILE_NAME=Sin 153-8617.d SUBJECT_SAMPLE_FACTORS - Sin 156-8618 Treatment:Sinopharm RAW_FILE_NAME=Sin 156-8618.d SUBJECT_SAMPLE_FACTORS - Sin 157-8619 Treatment:Sinopharm RAW_FILE_NAME=Sin 157-8619.d SUBJECT_SAMPLE_FACTORS - Sin 16-8587 Treatment:Sinopharm RAW_FILE_NAME=Sin 16-8587.d SUBJECT_SAMPLE_FACTORS - Sin 204-8620 Treatment:Sinopharm RAW_FILE_NAME=Sin 204-8620.d SUBJECT_SAMPLE_FACTORS - Sin 206-8621 Treatment:Sinopharm RAW_FILE_NAME=Sin 206-8621.d SUBJECT_SAMPLE_FACTORS - Sin 207-8622 Treatment:Sinopharm RAW_FILE_NAME=Sin 207-8622.d SUBJECT_SAMPLE_FACTORS - Sin 208-8623 Treatment:Sinopharm RAW_FILE_NAME=Sin 208-8623.d SUBJECT_SAMPLE_FACTORS - Sin 210-8624 Treatment:Sinopharm RAW_FILE_NAME=Sin 210-8624.d SUBJECT_SAMPLE_FACTORS - Sin 214-8625 Treatment:Sinopharm RAW_FILE_NAME=Sin 214-8625.d SUBJECT_SAMPLE_FACTORS - Sin 217-8626 Treatment:Sinopharm RAW_FILE_NAME=Sin 217-8626.d SUBJECT_SAMPLE_FACTORS - Sin 218-8627 Treatment:Sinopharm RAW_FILE_NAME=Sin 218-8627.d SUBJECT_SAMPLE_FACTORS - Sin 230-8628 Treatment:Sinopharm RAW_FILE_NAME=Sin 230-8628.d SUBJECT_SAMPLE_FACTORS - Sin 231-8630 Treatment:Sinopharm RAW_FILE_NAME=Sin 231-8630.d SUBJECT_SAMPLE_FACTORS - Sin 233-8631 Treatment:Sinopharm RAW_FILE_NAME=Sin 233-8631.d SUBJECT_SAMPLE_FACTORS - Sin 236-8632 Treatment:Sinopharm RAW_FILE_NAME=Sin 236-8632.d SUBJECT_SAMPLE_FACTORS - Sin 239-8633 Treatment:Sinopharm RAW_FILE_NAME=Sin 239-8633.d SUBJECT_SAMPLE_FACTORS - Sin 241-8634 Treatment:Sinopharm RAW_FILE_NAME=Sin 241-8634.d SUBJECT_SAMPLE_FACTORS - Sin 242-8635 Treatment:Sinopharm RAW_FILE_NAME=Sin 242-8635.d SUBJECT_SAMPLE_FACTORS - Sin 246-8636 Treatment:Sinopharm RAW_FILE_NAME=Sin 246-8636.d SUBJECT_SAMPLE_FACTORS - Sin 247-8637 Treatment:Sinopharm RAW_FILE_NAME=Sin 247-8637.d SUBJECT_SAMPLE_FACTORS - Sin 301-8638 Treatment:Sinopharm RAW_FILE_NAME=Sin 301-8638.d SUBJECT_SAMPLE_FACTORS - Sin 304-8639 Treatment:Sinopharm RAW_FILE_NAME=Sin 304-8639.d SUBJECT_SAMPLE_FACTORS - Sin 305-8640 Treatment:Sinopharm RAW_FILE_NAME=Sin 305-8640.d SUBJECT_SAMPLE_FACTORS - Sin 308-8641 Treatment:Sinopharm RAW_FILE_NAME=Sin 308-8641.d SUBJECT_SAMPLE_FACTORS - Sin 314-8642 Treatment:Sinopharm RAW_FILE_NAME=Sin 314-8642.d SUBJECT_SAMPLE_FACTORS - Sin 321-8643 Treatment:Sinopharm RAW_FILE_NAME=Sin 321-8643.d SUBJECT_SAMPLE_FACTORS - Sin 325-8644 Treatment:Sinopharm RAW_FILE_NAME=Sin 325-8644.d SUBJECT_SAMPLE_FACTORS - Sin 326-8645 Treatment:Sinopharm RAW_FILE_NAME=Sin 326-8645.d SUBJECT_SAMPLE_FACTORS - Sin 330-8646 Treatment:Sinopharm RAW_FILE_NAME=Sin 330-8646.d SUBJECT_SAMPLE_FACTORS - Sin 331-8647 Treatment:Sinopharm RAW_FILE_NAME=Sin 331-8647.d SUBJECT_SAMPLE_FACTORS - Sin 333-8648 Treatment:Sinopharm RAW_FILE_NAME=Sin 333-8648.d SUBJECT_SAMPLE_FACTORS - Sin 335-8649 Treatment:Sinopharm RAW_FILE_NAME=Sin 335-8649.d SUBJECT_SAMPLE_FACTORS - Sin 336-8650 Treatment:Sinopharm RAW_FILE_NAME=Sin 336-8650.d SUBJECT_SAMPLE_FACTORS - Sin 339-8651 Treatment:Sinopharm RAW_FILE_NAME=Sin 339-8651.d SUBJECT_SAMPLE_FACTORS - Sin 340-8652 Treatment:Sinopharm RAW_FILE_NAME=Sin 340-8652.d SUBJECT_SAMPLE_FACTORS - Sin 341-8653 Treatment:Sinopharm RAW_FILE_NAME=Sin 341-8653.d SUBJECT_SAMPLE_FACTORS - Sin 346-8654 Treatment:Sinopharm RAW_FILE_NAME=Sin 346-8654.d SUBJECT_SAMPLE_FACTORS - Sin 347-8655 Treatment:Sinopharm RAW_FILE_NAME=Sin 347-8655.d SUBJECT_SAMPLE_FACTORS - Sin 353-8656 Treatment:Sinopharm RAW_FILE_NAME=Sin 353-8656.d SUBJECT_SAMPLE_FACTORS - Sin 354-8657 Treatment:Sinopharm RAW_FILE_NAME=Sin 354-8657.d SUBJECT_SAMPLE_FACTORS - Sin 362-8658 Treatment:Sinopharm RAW_FILE_NAME=Sin 362-8658.d SUBJECT_SAMPLE_FACTORS - Sin 363-8659 Treatment:Sinopharm RAW_FILE_NAME=Sin 363-8659.d SUBJECT_SAMPLE_FACTORS - Sin 367-8661 Treatment:Sinopharm RAW_FILE_NAME=Sin 367-8661.d SUBJECT_SAMPLE_FACTORS - Sin 370-8662 Treatment:Sinopharm RAW_FILE_NAME=Sin 370-8662.d SUBJECT_SAMPLE_FACTORS - Sin 374-8663 Treatment:Sinopharm RAW_FILE_NAME=Sin 374-8663.d SUBJECT_SAMPLE_FACTORS - Sin 379-8664 Treatment:Sinopharm RAW_FILE_NAME=Sin 379-8664.d SUBJECT_SAMPLE_FACTORS - Sin 380-8665 Treatment:Sinopharm RAW_FILE_NAME=Sin 380-8665.d SUBJECT_SAMPLE_FACTORS - Sin 382-8666 Treatment:Sinopharm RAW_FILE_NAME=Sin 382-8666.d SUBJECT_SAMPLE_FACTORS - Sin 387-8667 Treatment:Sinopharm RAW_FILE_NAME=Sin 387-8667.d SUBJECT_SAMPLE_FACTORS - Sin 389-8668 Treatment:Sinopharm RAW_FILE_NAME=Sin 389-8668.d SUBJECT_SAMPLE_FACTORS - Sin 396-8669 Treatment:Sinopharm RAW_FILE_NAME=Sin 396-8669.d SUBJECT_SAMPLE_FACTORS - Sin 4-8583 Treatment:Sinopharm RAW_FILE_NAME=Sin 4-8583.d SUBJECT_SAMPLE_FACTORS - Sin 401-8670 Treatment:Sinopharm RAW_FILE_NAME=Sin 401-8670.d SUBJECT_SAMPLE_FACTORS - Sin 402-8671 Treatment:Sinopharm RAW_FILE_NAME=Sin 402-8671.d SUBJECT_SAMPLE_FACTORS - Sin 413-8672 Treatment:Sinopharm RAW_FILE_NAME=Sin 413-8672.d SUBJECT_SAMPLE_FACTORS - Sin 416-8673 Treatment:Sinopharm RAW_FILE_NAME=Sin 416-8673.d SUBJECT_SAMPLE_FACTORS - Sin 417-8674 Treatment:Sinopharm RAW_FILE_NAME=Sin 417-8674.d SUBJECT_SAMPLE_FACTORS - Sin 419-8675 Treatment:Sinopharm RAW_FILE_NAME=Sin 419-8675.d SUBJECT_SAMPLE_FACTORS - Sin 422-8676 Treatment:Sinopharm RAW_FILE_NAME=Sin 422-8676.d SUBJECT_SAMPLE_FACTORS - Sin 430-8677 Treatment:Sinopharm RAW_FILE_NAME=Sin 430-8677.d SUBJECT_SAMPLE_FACTORS - Sin 434-8678 Treatment:Sinopharm RAW_FILE_NAME=Sin 434-8678.d SUBJECT_SAMPLE_FACTORS - Sin 443-8679 Treatment:Sinopharm RAW_FILE_NAME=Sin 443-8679.d SUBJECT_SAMPLE_FACTORS - Sin 448-8680 Treatment:Sinopharm RAW_FILE_NAME=Sin 448-8680.d SUBJECT_SAMPLE_FACTORS - Sin 449-8681 Treatment:Sinopharm RAW_FILE_NAME=Sin 449-8681.d SUBJECT_SAMPLE_FACTORS - Sin 453-8682 Treatment:Sinopharm RAW_FILE_NAME=Sin 453-8682.d SUBJECT_SAMPLE_FACTORS - Sin 454-8683 Treatment:Sinopharm RAW_FILE_NAME=Sin 454-8683.d SUBJECT_SAMPLE_FACTORS - Sin 457-8684 Treatment:Sinopharm RAW_FILE_NAME=Sin 457-8684.d SUBJECT_SAMPLE_FACTORS - Sin 5-8584 Treatment:Sinopharm RAW_FILE_NAME=Sin 5-8584.d SUBJECT_SAMPLE_FACTORS - Sin 501-8685 Treatment:Sinopharm RAW_FILE_NAME=Sin 501-8685.d SUBJECT_SAMPLE_FACTORS - Sin 503-8686 Treatment:Sinopharm RAW_FILE_NAME=Sin 503-8686.d SUBJECT_SAMPLE_FACTORS - Sin 506-8687 Treatment:Sinopharm RAW_FILE_NAME=Sin 506-8687.d SUBJECT_SAMPLE_FACTORS - Sin 507-8688 Treatment:Sinopharm RAW_FILE_NAME=Sin 507-8688.d SUBJECT_SAMPLE_FACTORS - Sin 508-8689 Treatment:Sinopharm RAW_FILE_NAME=Sin 508-8689.d SUBJECT_SAMPLE_FACTORS - Sin 514-8690 Treatment:Sinopharm RAW_FILE_NAME=Sin 514-8690.d SUBJECT_SAMPLE_FACTORS - Sin 518-8692 Treatment:Sinopharm RAW_FILE_NAME=Sin 518-8692.d SUBJECT_SAMPLE_FACTORS - Sin 52-8588 Treatment:Sinopharm RAW_FILE_NAME=Sin 52-8588.d SUBJECT_SAMPLE_FACTORS - Sin 523-8693 Treatment:Sinopharm RAW_FILE_NAME=Sin 523-8693.d SUBJECT_SAMPLE_FACTORS - Sin 528-8694 Treatment:Sinopharm RAW_FILE_NAME=Sin 528-8694.d SUBJECT_SAMPLE_FACTORS - Sin 529-8695 Treatment:Sinopharm RAW_FILE_NAME=Sin 529-8695.d SUBJECT_SAMPLE_FACTORS - Sin 532-8696 Treatment:Sinopharm RAW_FILE_NAME=Sin 532-8696.d SUBJECT_SAMPLE_FACTORS - Sin 541-8697 Treatment:Sinopharm RAW_FILE_NAME=Sin 541-8697.d SUBJECT_SAMPLE_FACTORS - Sin 557-8698 Treatment:Sinopharm RAW_FILE_NAME=Sin 557-8698.d SUBJECT_SAMPLE_FACTORS - Sin 558-8699 Treatment:Sinopharm RAW_FILE_NAME=Sin 558-8699.d SUBJECT_SAMPLE_FACTORS - Sin 559-8700 Treatment:Sinopharm RAW_FILE_NAME=Sin 559-8700.d SUBJECT_SAMPLE_FACTORS - Sin 570-8701 Treatment:Sinopharm RAW_FILE_NAME=Sin 570-8701.d SUBJECT_SAMPLE_FACTORS - Sin 576-8702 Treatment:Sinopharm RAW_FILE_NAME=Sin 576-8702.d SUBJECT_SAMPLE_FACTORS - Sin 60-8599 Treatment:Sinopharm RAW_FILE_NAME=Sin 60-8599.d SUBJECT_SAMPLE_FACTORS - Sin 62-8600 Treatment:Sinopharm RAW_FILE_NAME=Sin 62-8600.d SUBJECT_SAMPLE_FACTORS - Sin 70-8601 Treatment:Sinopharm RAW_FILE_NAME=Sin 70-8601.d SUBJECT_SAMPLE_FACTORS - Sin 71-8602 Treatment:Sinopharm RAW_FILE_NAME=Sin 71-8602.d SUBJECT_SAMPLE_FACTORS - Sin 73-8603 Treatment:Sinopharm RAW_FILE_NAME=Sin 73-8603.d SUBJECT_SAMPLE_FACTORS - Unvac 11-8707 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 11-8707.d SUBJECT_SAMPLE_FACTORS - Unvac 111-8725 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 111-8725.d SUBJECT_SAMPLE_FACTORS - Unvac 120-8726 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 120-8726.d SUBJECT_SAMPLE_FACTORS - Unvac 129-8727 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 129-8727.d SUBJECT_SAMPLE_FACTORS - Unvac 152-8728 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 152-8728.d SUBJECT_SAMPLE_FACTORS - Unvac 17-8708 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 17-8708.d SUBJECT_SAMPLE_FACTORS - Unvac 2-8703 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 2-8703.d SUBJECT_SAMPLE_FACTORS - Unvac 21-8709 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 21-8709.d SUBJECT_SAMPLE_FACTORS - Unvac 24-8710 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 24-8710.d SUBJECT_SAMPLE_FACTORS - Unvac 25-8711 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 25-8711.d SUBJECT_SAMPLE_FACTORS - Unvac 26-8712 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 26-8712.d SUBJECT_SAMPLE_FACTORS - Unvac 3-8704 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 3-8704.d SUBJECT_SAMPLE_FACTORS - Unvac 303-8729 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 303-8729.d SUBJECT_SAMPLE_FACTORS - Unvac 306-8730 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 306-8730.d SUBJECT_SAMPLE_FACTORS - Unvac 317-8731 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 317-8731.d SUBJECT_SAMPLE_FACTORS - Unvac 327-8732 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 327-8732.d SUBJECT_SAMPLE_FACTORS - Unvac 328-8733 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 328-8733.d SUBJECT_SAMPLE_FACTORS - Unvac 342-8734 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 342-8734.d SUBJECT_SAMPLE_FACTORS - Unvac 344 -8735 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 344 -8735.d SUBJECT_SAMPLE_FACTORS - Unvac 349-8736 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 349-8736.d SUBJECT_SAMPLE_FACTORS - Unvac 351-8737 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 351-8737.d SUBJECT_SAMPLE_FACTORS - Unvac 355-8738 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 355-8738.d SUBJECT_SAMPLE_FACTORS - Unvac 360-8739 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 360-8739.d SUBJECT_SAMPLE_FACTORS - Unvac 365-8740 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 365-8740.d SUBJECT_SAMPLE_FACTORS - Unvac 366 -8741 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 366 -8741.d SUBJECT_SAMPLE_FACTORS - Unvac 368-8742 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 368-8742.d SUBJECT_SAMPLE_FACTORS - Unvac 369-8743 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 369-8743.d SUBJECT_SAMPLE_FACTORS - Unvac 373-8744 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 373-8744.d SUBJECT_SAMPLE_FACTORS - Unvac 375-8745 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 375-8745.d SUBJECT_SAMPLE_FACTORS - Unvac 376-8746 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 376-8746.d SUBJECT_SAMPLE_FACTORS - Unvac 383-8747 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 383-8747.d SUBJECT_SAMPLE_FACTORS - Unvac 384-8748 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 384-8748.d SUBJECT_SAMPLE_FACTORS - Unvac 386-8749 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 386-8749.d SUBJECT_SAMPLE_FACTORS - Unvac 391-8750 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 391-8750.d SUBJECT_SAMPLE_FACTORS - Unvac 392-8751 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 392-8751.d SUBJECT_SAMPLE_FACTORS - Unvac 394-8752 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 394-8752.d SUBJECT_SAMPLE_FACTORS - Unvac 395-8754 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 395-8754.d SUBJECT_SAMPLE_FACTORS - Unvac 398-8755 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 398-8755.d SUBJECT_SAMPLE_FACTORS - Unvac 399-8756 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 399-8756.d SUBJECT_SAMPLE_FACTORS - Unvac 403-8757 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 403-8757.d SUBJECT_SAMPLE_FACTORS - Unvac 404-8758 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 404-8758.d SUBJECT_SAMPLE_FACTORS - Unvac 410-8759 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 410-8759.d SUBJECT_SAMPLE_FACTORS - Unvac 418-8760 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 418-8760.d SUBJECT_SAMPLE_FACTORS - Unvac 423-8761 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 423-8761.d SUBJECT_SAMPLE_FACTORS - Unvac 425-8762 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 425-8762.d SUBJECT_SAMPLE_FACTORS - Unvac 431-8763 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 431-8763.d SUBJECT_SAMPLE_FACTORS - Unvac 435-8764 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 435-8764.d SUBJECT_SAMPLE_FACTORS - Unvac 440-8765 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 440-8765.d SUBJECT_SAMPLE_FACTORS - Unvac 442-8766 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 442-8766.d SUBJECT_SAMPLE_FACTORS - Unvac 444-8767 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 444-8767.d SUBJECT_SAMPLE_FACTORS - Unvac 456-8768 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 456-8768.d SUBJECT_SAMPLE_FACTORS - Unvac 502-8769 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 502-8769.d SUBJECT_SAMPLE_FACTORS - Unvac 504-8770 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 504-8770.d SUBJECT_SAMPLE_FACTORS - Unvac 510-8771 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 510-8771.d SUBJECT_SAMPLE_FACTORS - Unvac 511-8772 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 511-8772.d SUBJECT_SAMPLE_FACTORS - Unvac 519-8773 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 519-8773.d SUBJECT_SAMPLE_FACTORS - Unvac 521-8774 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 521-8774.d SUBJECT_SAMPLE_FACTORS - Unvac 533-8775 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 533-8775.d SUBJECT_SAMPLE_FACTORS - Unvac 535-8776 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 535-8776.d SUBJECT_SAMPLE_FACTORS - Unvac 537-8777 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 537-8777.d SUBJECT_SAMPLE_FACTORS - Unvac 539-8778 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 539-8778.d SUBJECT_SAMPLE_FACTORS - Unvac 54-8713 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 54-8713.d SUBJECT_SAMPLE_FACTORS - Unvac 550-8779 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 550-8779.d SUBJECT_SAMPLE_FACTORS - Unvac 552-8780 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 552-8780.d SUBJECT_SAMPLE_FACTORS - Unvac 57-8714 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 57-8714.d SUBJECT_SAMPLE_FACTORS - Unvac 580-8781 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 580-8781.d SUBJECT_SAMPLE_FACTORS - Unvac 6-8705 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 6-8705.d SUBJECT_SAMPLE_FACTORS - Unvac 61-8715 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 61-8715.d SUBJECT_SAMPLE_FACTORS - Unvac 66-8716 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 66-8716.d SUBJECT_SAMPLE_FACTORS - Unvac 68-8717 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 68-8717.d SUBJECT_SAMPLE_FACTORS - Unvac 7-8706 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 7-8706.d SUBJECT_SAMPLE_FACTORS - Unvac 75-8718 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 75-8718.d SUBJECT_SAMPLE_FACTORS - Unvac 76-8719 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 76-8719.d SUBJECT_SAMPLE_FACTORS - Unvac 77-8720 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 77-8720.d SUBJECT_SAMPLE_FACTORS - Unvac 78-8721 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 78-8721.d SUBJECT_SAMPLE_FACTORS - Unvac 79-8723 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 79-8723.d SUBJECT_SAMPLE_FACTORS - Unvac 80-8724 Treatment:Unvaccinated RAW_FILE_NAME=Unvac 80-8724.d #COLLECTION CO:COLLECTION_SUMMARY A total of 340 subjects (aged between 10-85 years) were enrolled from Al-Quds CO:COLLECTION_SUMMARY Medical Labs (AL-Zarqa, Jordan). Blood samples were collected from 77 healthy CO:COLLECTION_SUMMARY individuals (had not received any of the COVID- 19 vaccines), 107 individuals CO:COLLECTION_SUMMARY who received the Sinopharm vaccine, and 156 individuals who received the Pfizer CO:COLLECTION_SUMMARY vaccine. The samples were collected using heparinized tubes and were then CO:COLLECTION_SUMMARY subjected to centrifugation for five minutes to obtain plasma. The study CO:COLLECTION_SUMMARY received ethical approval from The Institutional Review Board at The University CO:COLLECTION_SUMMARY of Jordan (UHS-HERC-094-21032022), and all participants signed an informed CO:COLLECTION_SUMMARY consent before collecting the blood samples. Individuals who tested positive for CO:COLLECTION_SUMMARY COVID-19, had received booster doses, had received a third dose of COVID-19 CO:COLLECTION_SUMMARY vaccine, or had received a single dose of either Pfizer or Sinopharm vaccines CO:COLLECTION_SUMMARY were excluded from the study CO:SAMPLE_TYPE Blood (plasma) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Blood samples were collected from 77 healthy individuals (had not received any TR:TREATMENT_SUMMARY of the COVID- 19 vaccines), 107 individuals who received the Sinopharm vaccine, TR:TREATMENT_SUMMARY and 156 individuals who received the Pfizer vaccine #SAMPLEPREP SP:SAMPLEPREP_SUMMARY we used chloroform/methanol extraction protocol to increase the coverage of the SP:SAMPLEPREP_SUMMARY extracted metabolites. At first, the samples (cells and buffer) were transferred SP:SAMPLEPREP_SUMMARY into Eppendorf tubes then centrifuged at 14000 rpm for 5 min. Afterward, the SP:SAMPLEPREP_SUMMARY buffer was discarded, and the cells were preserved. To each sample, 400 µL of SP:SAMPLEPREP_SUMMARY the mixture containing one protease inhibitor tablet and 10 mL of lysis buffer SP:SAMPLEPREP_SUMMARY was added. Following rest for 10 minutes, samples were transferred to 10 mL SP:SAMPLEPREP_SUMMARY tubes, vortexed for 2–4 minutes, and sonicated with a COPLEY probe-sonicator SP:SAMPLEPREP_SUMMARY (QSONICA SONICATOR, USA) for 30 seconds while utilizing a 30 % amplifier in an SP:SAMPLEPREP_SUMMARY ice bath. The samples were then transferred to Eppendorf tubes and centrifuged SP:SAMPLEPREP_SUMMARY for 5 minutes at 14000 rpm. The supernatant was then transferred to another SP:SAMPLEPREP_SUMMARY Eppendorf, and 400 µL of methanol and 300 µL of chloroform were added. SP:SAMPLEPREP_SUMMARY Following that, the samples were vortexed for 30 seconds and centrifuged for 5 SP:SAMPLEPREP_SUMMARY minutes at 14000 rpm. After that, two metabolite-containing layers are obtained, SP:SAMPLEPREP_SUMMARY after transferring the upper layer of each sample to glass vials, 400 µl of SP:SAMPLEPREP_SUMMARY methanol was added, followed by vertexing and centrifugation. The remaining SP:SAMPLEPREP_SUMMARY supernatant was transferred to the same glass vials used before for the drying SP:SAMPLEPREP_SUMMARY step, with the remaining protein pellets being air-dried for proteomics. A dried SP:SAMPLEPREP_SUMMARY metabolomics sample was resuspended in 200 µL (0.1% formic acid in water) and SP:SAMPLEPREP_SUMMARY injected into HPLC to be analysed by Q-TOF MS.In summary, After dividing the SP:SAMPLEPREP_SUMMARY samples into 100 µL portions in Eppendorf tubes, 300 µL of methanol from SP:SAMPLEPREP_SUMMARY Wunstorfer Strasse, Seelze, Germany, was introduced. The tubes were subsequently SP:SAMPLEPREP_SUMMARY vortexed and placed in an incubator at -20°C for two hours. Following SP:SAMPLEPREP_SUMMARY incubation, the samples underwent another round of vortexing and were SP:SAMPLEPREP_SUMMARY centrifuged for 15 minutes at 14000 rpm. The resulting supernatant was SP:SAMPLEPREP_SUMMARY evaporated at 35 to 40 °C through speed vacuum evaporation. To assess the SP:SAMPLEPREP_SUMMARY analysis's repeatability, a quality control (QC) sample was created by pooling SP:SAMPLEPREP_SUMMARY the same volume of each sample (10µl). The extracted samples were then SP:SAMPLEPREP_SUMMARY resuspended in 100 µL of Honeywell's LC-MS CHROMASOLV's 0.1% formic acid in SP:SAMPLEPREP_SUMMARY Deionized Water (Wunstorfer Strasse, Seelze, Germany). Following that, 100 µL SP:SAMPLEPREP_SUMMARY of the prepared sample was collected in an insert inside LC glass vials after SP:SAMPLEPREP_SUMMARY filtration through a 0.45µm hydrophilic nylon syringe filter for LC-MS/MS SP:SAMPLEPREP_SUMMARY analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Samples were chromatographically separated by inline reversed-phase CH:CHROMATOGRAPHY_SUMMARY chromatography using the Elute HPG 1300 pumps and Elute Autosampler (Bruker, CH:CHROMATOGRAPHY_SUMMARY Darmstadt, Germany) with solvent A 0.1% FA in HPLC grade water and solvent B CH:CHROMATOGRAPHY_SUMMARY 0.1% FA in ACN. A Hamilton Intensity Solo 2 C18 column (100 mm x 2.1 mm, 1.8µm CH:CHROMATOGRAPHY_SUMMARY beads) was maintained at 35C. For metabolomics, 10 µL was injected twice for CH:CHROMATOGRAPHY_SUMMARY each sample and eluted using a 30-minute gradient as follows: 1% ACN was held CH:CHROMATOGRAPHY_SUMMARY for 2 minutes, ramping to 99% ACN over 15 minutes, held at 99% ACN for 3 minutes CH:CHROMATOGRAPHY_SUMMARY before re-equilibrating to 1% ACN for 10 minutes. Flow rates were 250 µL/min CH:CHROMATOGRAPHY_SUMMARY for elution and 350 µL/min for re-equilibration. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Bruker Elute CH:COLUMN_NAME Hamilton Intensity Solo 2 C18 (100 x 2.1 mm, 1.8 um) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:FLOW_GRADIENT 1%B to 99%B in 15 min CH:FLOW_RATE 250 uL/min CH:COLUMN_TEMPERATURE 35 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Bruker timsTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The MS analysis was performed using a TimsTOF (Bruker, Darmstadt, Germany) with MS:MS_COMMENTS Apollo II electrospray ionization (ESI) source. The drying gas was set to flow MS:MS_COMMENTS at 10 L/min and the drying temperature to 220C and the nebulizer pressure to 2.2 MS:MS_COMMENTS bar. The capillary voltage was 4500 V and the end plate offset 500V. For MS:MS_COMMENTS metabolomics the scan range was 20-1300 m/z. The collision energy was set to 20 MS:MS_COMMENTS eV, the cycle time to 0.5 seconds with a relative minimum intensity threshold of MS:MS_COMMENTS 400 counts per thousand and target intensity of 20,000. Sodium formate was MS:MS_COMMENTS injected as an external calibrant in the first 0.3 minutes of each LC-MS/MS run. MS:MS_COMMENTS MetaboScape 4.0 software was used for metabolite processing and statistical MS:MS_COMMENTS analysis (Bruker Daltonics). The following parameters for molecular feature MS:MS_COMMENTS identification and "bucketing" were set in the T-ReX 2D/3D workflow: For peak MS:MS_COMMENTS detection, a minimum intensity threshold of 1,000 counts is required, as well as MS:MS_COMMENTS a minimum peak duration of 7 spectra, with feature quantification determine MS:MS_COMMENTS using peak area. The file masses were recalibrated based on the external MS:MS_COMMENTS calibrant injected between 0-0.3 min. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AU MS_METABOLITE_DATA_START Samples Dual 123-8783 Dual 372-8784 Dual 414-8785 Dual 517-8786 Dual 573-8787 Dual 59-8782 Pfizer-01-8417 Pfizer-08-8418 Pfizer-09-8419 Pfizer-101-8439 Pfizer-102-8440 Pfizer-103-8441 Pfizer-104-8442 Pfizer-106-8443 Pfizer-107-8444 Pfizer-108-8445 Pfizer-113-8446 Pfizer-117-8447 Pfizer-118-8449 Pfizer-12-8420 Pfizer-122-8450 Pfizer-124-8451 Pfizer-126-8452 Pfizer-127-8453 Pfizer-13-8421 Pfizer-14-8422 Pfizer-154-8454 Pfizer-155-8455 Pfizer-18-8423 Pfizer-20-8424 Pfizer-200-8456 Pfizer-201-8457 Pfizer-202-8458 Pfizer-203-8459 Pfizer-205-8460 Pfizer-209-8461 Pfizer-211-8462 Pfizer-212-8463 Pfizer-213-8465 Pfizer-216-8466 Pfizer-219-8467 Pfizer-22-8425 Pfizer-220-8468 Pfizer-221-8469 Pfizer-222-8470 Pfizer-223-8471 Pfizer-224-8472 Pfizer-226-8473 Pfizer-227-8474 Pfizer-23-8426 Pfizer-232-8475 Pfizer-234-8476 Pfizer-237-8477 Pfizer-238-8478 Pfizer-240-8479 Pfizer-243-8481 Pfizer-248-8482 Pfizer-253-8483 Pfizer-254-8484 Pfizer-255-8485 Pfizer-27-8427 Pfizer-28-8428 Pfizer-302-8486 Pfizer-309-8487 Pfizer-310-8488 Pfizer-311-8489 Pfizer-312-8490 Pfizer-313-8491 Pfizer-315-8492 Pfizer-316-8493 Pfizer-318-8494 Pfizer-320-8495 Pfizer-322-8497 Pfizer-324-8498 Pfizer-329-8499 Pfizer-332-8500 Pfizer-334-8501 Pfizer-338-8502 Pfizer-343-8503 Pfizer-345-8504 Pfizer-348-8505 Pfizer-350-8506 Pfizer-356-8507 Pfizer-357-8508 Pfizer-358-8509 Pfizer-359-8510 Pfizer-361-8511 Pfizer-364-8512 Pfizer-371-8513 Pfizer-374-8514 Pfizer-377-8515 Pfizer-378-8516 Pfizer-381-8517 Pfizer-393-8518 Pfizer-397-8519 Pfizer-400-8520 Pfizer-411-8521 Pfizer-412-8522 Pfizer-415-8523 Pfizer-421-8524 Pfizer-424-8582 Pfizer-426-8525 Pfizer-429-8526 Pfizer-432-8528 Pfizer-436-8529 Pfizer-437-8530 Pfizer-438-8531 Pfizer-441-8532 Pfizer-445-8533 Pfizer-446-8534 Pfizer-450-8535 Pfizer-451-8536 Pfizer-452-8537 Pfizer-455-8538 Pfizer-50-8429 Pfizer-500-8539 Pfizer-505-8540 Pfizer-509-8541 Pfizer-51-8430 Pfizer-512-8542 Pfizer-513-8543 Pfizer-515-8544 Pfizer-516-8545 Pfizer-520-8546 Pfizer-522-8547 Pfizer-524-8548 Pfizer-525-8549 Pfizer-526-8550 Pfizer-527-8551 Pfizer-53-8431 Pfizer-531-8552 Pfizer-534-8553 Pfizer-536-8554 Pfizer-542-8555 Pfizer-544-8556 Pfizer-545-8557 Pfizer-546-8559 Pfizer-547-8560 Pfizer-548-8561 Pfizer-549-8562 Pfizer-55-8433 Pfizer-554-8563 Pfizer-555-8564 Pfizer-556-8565 Pfizer-560-8566 Pfizer-561-8567 Pfizer-562-8568 Pfizer-563-8569 Pfizer-564-8570 Pfizer-565-8571 Pfizer-566-8572 Pfizer-567-8573 Pfizer-568-8574 Pfizer-569-8575 Pfizer-571-8576 Pfizer-572-8577 Pfizer-575-8578 Pfizer-577-8579 Pfizer-578-8580 Pfizer-579-8581 Pfizer-58-8434 Pfizer-64-8435 Pfizer-65-8436 Pfizer-67-8437 Pfizer-72-8438 Sin 10-8585 Sin 100-8604 Sin 105-8605 Sin 109-8606 Sin 112-8607 Sin 114-8608 Sin 115-8609 Sin 116-8610 Sin 119-8611 Sin 121-8612 Sin 125-8613 Sin 128-8614 Sin 15-8586 Sin 150-8615 Sin 151-8616 Sin 153-8617 Sin 156-8618 Sin 157-8619 Sin 16-8587 Sin 204-8620 Sin 206-8621 Sin 207-8622 Sin 208-8623 Sin 210-8624 Sin 214-8625 Sin 217-8626 Sin 218-8627 Sin 230-8628 Sin 231-8630 Sin 233-8631 Sin 236-8632 Sin 239-8633 Sin 241-8634 Sin 242-8635 Sin 246-8636 Sin 247-8637 Sin 301-8638 Sin 304-8639 Sin 305-8640 Sin 308-8641 Sin 314-8642 Sin 321-8643 Sin 325-8644 Sin 326-8645 Sin 330-8646 Sin 331-8647 Sin 333-8648 Sin 335-8649 Sin 336-8650 Sin 339-8651 Sin 340-8652 Sin 341-8653 Sin 346-8654 Sin 347-8655 Sin 353-8656 Sin 354-8657 Sin 362-8658 Sin 363-8659 Sin 367-8661 Sin 370-8662 Sin 374-8663 Sin 379-8664 Sin 380-8665 Sin 382-8666 Sin 387-8667 Sin 389-8668 Sin 396-8669 Sin 4-8583 Sin 401-8670 Sin 402-8671 Sin 413-8672 Sin 416-8673 Sin 417-8674 Sin 419-8675 Sin 422-8676 Sin 430-8677 Sin 434-8678 Sin 443-8679 Sin 448-8680 Sin 449-8681 Sin 453-8682 Sin 454-8683 Sin 457-8684 Sin 5-8584 Sin 501-8685 Sin 503-8686 Sin 506-8687 Sin 507-8688 Sin 508-8689 Sin 514-8690 Sin 518-8692 Sin 52-8588 Sin 523-8693 Sin 528-8694 Sin 529-8695 Sin 532-8696 Sin 541-8697 Sin 557-8698 Sin 558-8699 Sin 559-8700 Sin 570-8701 Sin 576-8702 Sin 60-8599 Sin 62-8600 Sin 70-8601 Sin 71-8602 Sin 73-8603 Unvac 11-8707 Unvac 111-8725 Unvac 120-8726 Unvac 129-8727 Unvac 152-8728 Unvac 17-8708 Unvac 2-8703 Unvac 21-8709 Unvac 24-8710 Unvac 25-8711 Unvac 26-8712 Unvac 3-8704 Unvac 303-8729 Unvac 306-8730 Unvac 317-8731 Unvac 327-8732 Unvac 328-8733 Unvac 342-8734 Unvac 344 -8735 Unvac 349-8736 Unvac 351-8737 Unvac 355-8738 Unvac 360-8739 Unvac 365-8740 Unvac 366 -8741 Unvac 368-8742 Unvac 369-8743 Unvac 373-8744 Unvac 375-8745 Unvac 376-8746 Unvac 383-8747 Unvac 384-8748 Unvac 386-8749 Unvac 391-8750 Unvac 392-8751 Unvac 394-8752 Unvac 395-8754 Unvac 398-8755 Unvac 399-8756 Unvac 403-8757 Unvac 404-8758 Unvac 410-8759 Unvac 418-8760 Unvac 423-8761 Unvac 425-8762 Unvac 431-8763 Unvac 435-8764 Unvac 440-8765 Unvac 442-8766 Unvac 444-8767 Unvac 456-8768 Unvac 502-8769 Unvac 504-8770 Unvac 510-8771 Unvac 511-8772 Unvac 519-8773 Unvac 521-8774 Unvac 533-8775 Unvac 535-8776 Unvac 537-8777 Unvac 539-8778 Unvac 54-8713 Unvac 550-8779 Unvac 552-8780 Unvac 57-8714 Unvac 580-8781 Unvac 6-8705 Unvac 61-8715 Unvac 66-8716 Unvac 68-8717 Unvac 7-8706 Unvac 75-8718 Unvac 76-8719 Unvac 77-8720 Unvac 78-8721 Unvac 79-8723 Unvac 80-8724 Factors Treatment:Dual Treatment:Dual Treatment:Dual Treatment:Dual Treatment:Dual Treatment:Dual Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer Treatment:Pfizer 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Treatment:Unvaccinated Treatment:Unvaccinated Treatment:Unvaccinated Treatment:Unvaccinated 1,3-Dimethyluracil 330 0 308 492 442 348 2196 1872 1706 1922 1872 1628 1478 1542 2572 1900 1446 2000 2602 2168 2150 1754 1822 2100 2044 1784 1860 1512 2362 2008 2008 2404 2032 1248 1660 2148 1972 1852 2290 2660 2218 2082 1380 2528 1436 1908 1818 1080 1706 1996 914 1344 1722 1434 1374 2268 1684 1766 1710 1046 2000 1898 728 1268 1536 2272 1532 2140 1890 2188 1658 1604 1860 2278 1404 2078 1862 1956 1624 1732 1374 1268 1886 1312 1916 1492 1670 1198 1210 1664 1832 1682 1520 1404 1682 1572 1414 1674 1386 1766 1892 1542 1952 2072 1554 2238 2146 2062 1696 1302 1780 1934 1814 1608 2462 1622 1174 2034 2282 1560 2240 1812 2060 2142 1906 1710 2202 1320 1722 2100 1552 1736 2170 2640 2146 1418 2306 2198 2382 1944 2122 2082 2414 1812 1326 2100 1630 1904 2090 1414 1402 1476 1900 1676 1652 1950 1950 2172 1658 2114 1472 1554 2042 1278 1584 464 422 680 718 0 802 380 920 0 1046 1232 1056 624 1546 308 1032 422 0 660 0 0 206 562 208 908 542 296 670 340 0 622 412 484 0 610 812 460 646 242 586 1470 490 352 452 558 386 644 1098 552 350 354 0 322 194 558 312 492 464 1506 334 0 912 672 588 0 604 304 556 504 388 0 0 474 0 634 172 500 366 410 474 358 746 474 464 380 0 506 910 518 546 708 386 564 414 0 670 526 970 332 432 0 458 412 1010 582 574 520 344 0 258 480 346 156 0 742 512 464 0 0 0 528 334 498 442 506 268 424 0 528 0 394 0 382 292 536 510 432 512 348 306 0 284 0 616 0 358 326 634 342 402 148 296 418 822 382 342 300 396 340 256 394 338 796 296 0 510 0 406 0 580 424 344 762 434 328 276 276 428 214 244 444 484 462 0 1,5-Anhydrosorbitol 1800 1112 942 1078 1494 1294 1036 1142 1218 892 1368 1396 1080 1064 1046 1404 1138 1052 1540 1070 928 1330 1090 978 988 1220 1638 1092 1360 1758 1210 1226 1208 938 1142 788 1544 1074 1044 1384 1676 1252 1332 1704 1574 1664 1434 822 1246 404 1446 1334 1438 1726 1146 960 1720 968 1146 998 1316 1078 1146 1970 1668 1304 1258 1004 2130 1486 2874 1420 1096 1642 1594 1430 2262 1594 1512 1726 1040 694 1618 2158 1066 1056 1688 1038 1532 1544 1040 1264 1242 1406 1114 1172 758 1326 1364 1700 1658 1462 1226 1172 974 1160 1138 2252 1104 1180 972 1602 1608 1046 1070 2160 1536 906 1364 2048 1738 1298 2234 1294 1338 1274 1118 1590 1098 884 736 1116 1886 918 752 1320 874 1852 1324 882 1528 1064 1564 1300 1288 1340 1300 1576 1460 1524 734 1090 980 1342 1450 2056 1296 1006 2046 1678 1262 1364 1092 1192 1496 792 1060 1704 1332 898 2200 1626 1602 2206 1254 1480 1794 1270 2634 768 1304 672 628 0 0 0 1244 1116 0 1174 954 1152 0 4036 1470 1192 980 1392 0 2520 0 712 1182 934 1090 1466 1666 678 1436 1008 2216 1324 1270 0 1592 1790 1378 1192 1216 1024 1148 1034 0 1714 1060 236 994 0 1534 1010 0 1124 0 1812 1154 1174 1364 0 1386 1070 4144 1116 1082 1308 1204 838 1632 0 2114 1868 1420 1394 1374 1238 1416 1352 0 1192 438 0 1504 2018 962 762 916 0 1460 1150 1174 442 1034 1622 1252 278 1390 738 1126 1118 308 1322 0 1290 1254 0 1184 778 1632 468 1470 1162 886 1426 1222 1604 0 1688 774 1680 998 912 1622 0 486 1192 1592 718 1588 1610 824 1270 1044 1016 858 1052 1264 1346 1374 1260 1228 1200 678 1128 1764 1070 2270 1486 1136 166 1812 604 1232 0 1692 1330 1404 992 1678 226 1160 0 948 1286 978 776 0 1102 690 810 1410 1-Methyladenosine 1816 1660 1564 1590 1472 654 1182 1598 1236 2026 1290 1826 2190 720 1034 486 968 688 1110 1702 0 906 2030 1260 1648 1512 510 1434 1476 1058 1326 896 1414 0 844 308 932 2290 1672 1288 0 2078 964 0 816 0 852 672 1046 910 1064 0 908 398 814 0 2172 764 906 826 0 1808 1962 0 834 820 1692 1162 942 1078 844 1808 730 0 1442 1894 1688 1262 1170 2434 1082 1856 1996 1560 1104 1668 1574 1284 1080 1684 1106 1778 602 2418 0 1488 2136 1232 1422 1204 1622 514 1104 1230 1100 1740 758 806 0 308 1098 1552 1908 0 414 0 1744 1420 1392 1102 2346 1012 0 1142 1208 2224 1060 1330 814 1534 972 1064 810 1710 1162 1086 3332 688 896 924 0 1614 2124 1060 2468 1470 2160 1062 1162 1726 864 1050 1034 1222 1856 1222 986 442 1762 0 960 1444 774 670 468 1406 862 752 1606 1164 1336 732 1980 0 1482 2078 662 500 560 574 1186 1104 1272 836 0 276 1414 822 674 1068 966 1108 834 924 1318 2134 954 1410 396 1738 1158 952 1566 872 1080 1412 1502 1946 1472 0 1536 1190 1272 1280 744 1190 1274 2286 1992 0 1034 0 1012 2062 0 1044 1246 1152 1078 1202 996 1688 1956 2194 1562 732 1196 0 1776 1064 876 2940 0 1616 810 798 1490 572 426 0 1864 1074 1658 1588 1600 1418 972 1880 1468 0 1224 1136 652 956 0 936 1600 1716 346 0 998 0 670 0 1180 832 1172 1254 1256 1426 1328 374 2834 1136 926 1668 1662 758 1134 582 1662 1342 1862 0 792 1480 1492 1774 0 0 1648 906 818 1382 2038 894 2152 1326 1702 0 0 948 1082 1222 0 1198 0 0 2206 1598 1164 1122 836 1110 1594 894 1366 1042 0 0 1274 2690 934 308 1650 1512 576 1988 1404 0 1092 0 1280 738 910 1280 946 736 744 17a-Ethynylestradiol 3954 23510 11096 51820 6210 7676 5306 21624 13846 3804 10792 8776 11610 2368 8952 4620 21596 16444 13146 12202 17912 11016 28268 12930 6620 5610 21734 3218 3772 5098 11748 47354 14270 36242 32994 17428 5298 8878 24174 15744 20980 19664 20094 21166 29566 9122 8682 32332 11382 9702 15486 1896 23130 29660 10360 20178 27026 5916 20922 13210 14148 14628 19202 17950 19502 16504 15066 13160 23306 34500 7430 17290 7570 21492 28398 32720 11570 15094 6896 30634 22392 22914 10984 20636 6500 9210 14464 5046 23914 9710 21480 9958 18042 13928 11366 4214 59628 70262 20560 25980 36762 163932 82542 49696 77674 275446 13738 36026 14136 114752 160936 37394 11162 70534 9640 13150 10122 11142 6678 14546 2600 11900 17266 8076 1806 9224 3996 23022 11632 13788 4402 24810 8704 10128 11610 5452 4876 1654 8680 11252 6194 12876 10748 11834 4862 12056 17624 6916 6658 2958 11692 32636 5930 22482 5624 13876 22048 43022 13860 23356 3418 8600 2860 5352 5804 6208 26882 14238 6782 15018 2906 13160 8590 15946 61878 17152 11810 15162 10122 12786 8482 12120 6092 15308 1826 350 6036 2890 5132 11274 41540 15834 23648 24964 10426 3504 15348 17142 3290 7470 23734 28906 20778 17884 26360 28926 16594 22602 12666 27696 4650 74360 26860 44458 24050 22974 10386 14724 18314 9228 8352 10840 30684 22468 12772 15186 7870 3846 2498 21226 31984 16154 10830 2778 8844 11818 35578 185260 19496 130172 97862 12856 40832 43886 47454 35180 15158 60710 13188 22328 12032 0 8160 15938 8706 8378 14496 16814 6904 684 15886 22434 13166 9238 23116 14882 12448 10174 9636 4060 8476 12102 10514 10390 5820 10692 7658 5612 7810 2960 9164 5894 15736 17762 29046 14348 31902 15678 21984 12118 15236 14592 3294 22996 11298 2190 9724 2798 21986 21506 16464 14556 10988 36138 30792 14030 9334 16284 30368 38452 11660 11208 6258 22424 7280 45292 17586 73222 22256 11992 13344 11018 13928 1834 7946 16560 5030 11844 16634 4554 14042 6202 15588 4188 19382 4952 9404 33862 10576 2328 14976 11360 8926 7716 5418 6670 12774 21568 3862 2,3-Diaminopropionic acid 16390 14658 14900 22114 22550 17980 25242 25252 20872 18890 23530 21386 25636 19590 14584 25944 17204 14896 23600 19766 17534 14434 18998 16582 19438 27512 21420 16282 26312 35912 27086 22916 16470 11452 17340 13878 15262 19490 22986 21120 16156 18762 22994 26916 24118 17086 21490 18600 20448 27798 36840 16876 17720 15044 23330 17114 16538 15044 14446 17702 26226 29188 17340 29350 17114 18214 20490 15620 16126 16716 15592 18382 21982 43232 19258 22194 16750 19620 13424 19984 15504 11434 27410 19556 16658 15682 11820 20138 16580 19704 17980 18954 17942 18242 14116 12376 25378 19376 20220 25216 18666 21390 28354 17048 13440 14416 14064 16798 14612 19218 10670 19306 18342 18130 23804 18066 21708 11758 19996 16478 17348 18556 21932 16540 11180 17286 20402 16252 8126 24484 15188 14616 17164 13714 9108 13996 14752 21484 18874 11488 23602 16638 14226 20558 17710 13626 17058 15224 15036 17222 11508 12308 15266 23342 14062 20238 14046 18738 20076 15822 31686 28254 28618 21504 20246 16700 16930 27560 36332 22098 26664 25084 13372 32296 16982 13882 17782 28898 25962 14384 17906 15846 12054 22904 1560 378 26598 22004 3408 22138 15960 17466 21234 4168 17068 22196 17832 18752 5044 31514 24432 17760 27700 20348 26824 11650 23720 15032 23282 28134 30302 15568 25702 32324 34648 24752 16382 22610 31280 15740 16284 17552 2576 16292 19040 3518 23464 13566 28512 14546 17392 20110 8012 20580 21818 21032 22612 16804 18440 17658 3848 14348 18906 16174 22946 14156 0 4348 56054 27818 18720 20218 22234 25202 23776 17084 4272 23094 3998 350 22200 27028 11000 5680 15642 7552 18894 19270 17214 3208 22366 36862 20028 2800 24232 14050 27176 15242 2596 20666 2860 17108 31898 2280 21476 26736 20114 3156 19684 17924 15704 25454 16226 21600 3288 20218 11502 19824 13906 11278 23502 2394 2538 16714 30330 13136 14750 19826 13190 18352 19246 13464 24732 15302 13824 18414 18508 29180 17480 20240 6242 22408 29914 13932 22248 18730 15932 4906 25528 3370 14094 2674 15410 16168 25796 13518 20798 4390 19244 2556 17962 21566 16016 0 17966 19202 16714 15018 28030 2,4-Diaminobutyric acid 6498 8282 8714 9086 8542 10222 2378 2360 1632 1186 2458 1608 1642 1318 1470 1810 1552 1674 1688 2586 1580 1060 1060 980 1668 2772 1046 860 2934 3692 1844 1828 1074 1878 1082 1146 966 1958 1080 842 664 2262 2772 1090 2236 1596 2240 3056 1996 4258 8376 2824 2112 1144 2456 1920 2462 2044 1810 2280 1970 2292 2122 4470 2342 1284 2166 988 1388 954 1208 1368 2550 1552 1520 1776 1202 2594 992 1054 1356 2290 1946 1692 2696 1008 1050 2578 1150 1484 1056 1814 1766 844 1230 1602 3472 2174 1976 1378 1806 4750 2296 1542 700 370 1942 640 1480 2200 906 1200 1482 1058 1466 904 1782 532 1460 1126 962 1284 1032 884 860 986 1650 734 216 2400 1308 1812 1240 720 806 1162 2978 734 2418 576 1786 1706 1348 1144 1212 1040 948 980 1028 1104 1070 1144 1816 1452 1220 1220 1802 852 1640 824 2722 1946 2634 2246 1526 15544 15762 33052 23658 19676 12850 20134 5486 19370 1344 742 1388 13538 2340 6302 1574 6332 5162 19378 406 0 7118 8480 8440 7970 9368 8310 9348 7826 6516 9322 11218 12274 3928 7810 0 7500 11256 9928 14706 1168 9184 9210 13908 21064 14250 17246 12976 70768 24704 9432 10538 18410 16006 6968 33330 7912 3254 1172 7698 3950 16672 6118 9118 8188 5006 12202 18160 6524 7002 9300 5866 6798 6348 6384 8912 5108 6318 7760 8294 9870 9870 8142 25166 8884 17614 8904 2734 5882 10032 8102 23818 11114 6452 862 8384 10340 6306 12654 8810 9162 12604 18100 10726 14982 21662 22650 7734 5124 6584 7582 8216 6294 9574 6420 8488 6380 10560 7390 7186 11218 6910 4902 5860 8188 5392 5966 6576 6472 9320 11964 24850 11428 8252 6822 6488 5956 4592 5974 5792 7838 7480 7280 8514 6460 9662 7618 7540 10082 8278 5782 6238 8366 8830 7616 6734 6714 6048 6750 8104 6158 6362 0 0 5544 9780 7348 8902 7332 8858 7392 9220 8876 7616 5272 11106 9384 7378 9130 9060 9562 8210 9208 11728 2-Furoylglycine 2548 3320 4652 4524 2106 3188 3038 3812 6722 3696 2362 2602 2962 3934 3732 3538 3152 3776 3390 3260 4054 4070 5772 2174 2966 4004 4738 8024 4042 8238 3908 3172 3990 5164 2794 3510 4060 8760 3862 3148 2606 2818 3968 4322 4090 3178 4144 4490 3444 3404 3818 7168 5240 5164 3556 6722 5926 2492 2344 2948 8618 3986 5052 3980 4000 4938 2408 3540 4732 3572 4354 4398 7912 2682 3560 2664 3740 5310 4030 4678 2238 3434 2674 3742 3346 5342 3496 3090 2848 4364 5140 2388 4940 2658 4828 4180 5730 7104 3068 2906 2958 5992 4850 4816 4524 7950 3662 4712 3998 5220 5848 3570 2416 2656 3554 2756 4416 3204 4182 2800 5850 3270 4538 4318 3330 3434 4060 5158 2656 4604 3072 2884 3038 4642 2798 4662 5144 3820 5044 2714 2996 3362 6892 3156 3112 2960 3408 3268 6060 4404 2934 4536 3022 3444 4126 3388 3978 2698 2934 3300 6328 2478 3774 4396 3210 3116 4628 5234 3736 6692 5262 7664 6242 5434 6454 3234 3622 5116 2962 3366 4424 4624 3520 3826 0 426 2444 4378 2588 4200 3518 2770 3784 2088 3564 5268 4058 5222 3448 5224 2762 3126 3140 5562 5662 3768 4732 3044 3280 3758 3540 5014 2742 4198 2290 2816 2254 4154 4058 2686 3212 4224 2142 3792 4326 3524 4070 3738 4886 2938 3284 2904 4172 2686 2614 2278 5846 3242 2498 4164 3806 2712 4718 3894 1964 2962 4030 2066 3392 6312 5006 2362 3850 3610 3688 3022 13650 3382 3884 2068 4170 2160 3044 3034 3930 4556 2226 3626 3600 5618 4508 6368 3546 2908 2666 2320 4488 2576 3902 3072 3258 2434 4790 4240 2322 5366 4916 3234 3712 3356 3836 3732 4574 3866 2962 3856 2854 2940 2652 5782 3286 2168 2636 2966 6340 1976 2820 2564 2674 2658 4386 3532 2552 3470 3236 2892 4018 7560 5634 2948 4098 4004 2230 3030 4820 2836 3220 3090 4058 2410 2886 3734 3544 4296 5420 3014 3478 3056 4476 3154 3298 3434 4642 3414 3558 3922 2546 3110 2694 3,4-Dihydroxymandelic acid 212 0 0 0 0 0 1394 930 622 868 1090 1008 1016 1126 1692 1134 1026 1132 1010 1532 1512 1020 858 1432 1528 1228 1206 1166 1040 1478 924 1102 1058 810 1302 1242 1202 1080 1228 1408 1154 1068 1190 1654 1246 1140 1412 840 850 1590 804 594 1012 874 784 924 1276 788 1104 678 1272 774 826 946 1138 608 1090 640 954 1322 1346 1062 920 1106 2050 1850 1544 1744 976 1890 1314 1694 1524 1388 2016 1488 1464 1134 1330 1470 1020 1262 1684 1680 1318 2272 1624 1216 1478 1518 964 1110 2084 1786 628 2216 1280 2026 832 1482 1608 1398 956 2488 732 1748 1310 1930 1260 1556 1402 1532 1756 1542 1470 2142 1614 2074 1602 938 1778 1368 1652 1538 1602 1348 878 1572 1550 1644 800 1488 1664 1562 1326 1718 1552 1214 1744 1022 1440 1608 998 1346 904 1610 1090 1304 2244 1482 750 1046 1610 1006 970 0 0 0 0 0 0 0 138 298 840 1572 1640 0 2192 0 1214 0 0 0 0 0 0 0 0 0 0 0 186 0 0 0 0 0 0 0 0 0 0 0 0 1076 0 0 0 0 0 358 0 0 0 0 0 142 0 0 0 0 0 1028 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 536 0 398 0 0 0 172 0 164 0 0 794 0 0 218 0 0 0 0 0 0 230 0 0 0 0 0 0 0 0 0 0 0 0 0 256 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 258 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 886 422 0 294 0 0 0 0 0 0 0 0 156 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-Hexenedioic acid 5940 4456 8746 4948 4762 5782 6718 9576 2612 4930 6740 7412 5574 3510 3356 4500 3536 7352 3140 8814 8682 7738 10552 7926 2870 7326 5836 4186 4860 6272 7174 2926 4752 5156 5472 7256 6794 14758 6610 4242 3856 6994 3378 8812 4308 2598 7382 4132 8680 6852 8840 6410 5312 5716 13606 10700 11542 8358 4572 3368 3490 9164 9444 6156 7248 8636 5294 10856 8796 10784 6764 14522 8902 3974 5954 7248 6134 6608 12104 5488 6924 7090 6074 9288 0 6410 9506 4324 5428 6594 10674 3778 6380 2442 5966 8846 7222 4342 6436 4692 2994 10530 5364 6872 5588 6588 2776 7262 7664 6646 7588 10468 8080 6636 11234 11388 8980 5818 7372 11064 21838 3898 7030 12024 5322 8480 8582 5680 5256 7796 4328 11174 5680 5204 3358 8392 14762 5576 4766 8406 9996 11560 10410 6366 9144 4372 5544 6668 5516 8190 7608 6070 6952 7774 8502 2900 3536 4102 9352 6036 11176 2014 6654 5762 2138 5372 8144 14832 10926 11160 4130 12626 7664 8460 8496 16494 5338 5234 9128 7276 5140 10828 5846 5170 804 218 5932 3328 3650 1758 3830 4668 7560 2474 5928 12616 5714 3830 2808 6850 8186 5982 5130 6754 6588 7300 5828 4304 3254 5714 9326 8292 4834 3532 3656 8102 7066 7218 7644 4598 4956 3878 3032 5360 8346 3144 5334 10036 7362 4590 3098 4506 5404 6130 3822 2348 4610 2746 4026 4262 3894 2586 4402 3558 5890 6014 7856 4628 4694 5998 7172 3232 6454 6658 5134 4818 4368 5056 3660 738 6288 5446 7680 2510 5302 4984 8212 7050 13346 5626 6918 9400 7334 3686 7088 3824 6142 4046 5250 6852 3914 4036 5682 4460 1878 15800 5456 5526 6872 6534 6784 6606 8502 13030 2066 1962 3172 2418 2628 8832 4502 2668 8020 4684 5930 5164 2616 4356 6760 3184 5130 3144 5560 4876 4138 5746 9814 6828 8564 7768 7806 10010 2218 3718 4688 6646 3750 4328 3076 2200 6890 11150 5522 2872 3982 6858 3250 7536 4652 5184 7442 4404 6814 7480 2134 5996 4678 4378 5776 3-Hydroxy-4-methoxycinnamic aicd 1824 712 1534 1028 1846 1540 1106 1162 1060 1314 1212 594 1610 330 746 1640 1366 942 14100 638 1082 922 8250 1640 942 692 1036 914 11678 2048 1156 1044 688 0 1334 1052 2576 0 860 720 676 1690 694 2188 728 0 602 924 0 1238 342 1476 986 472 810 710 680 860 520 652 766 334 710 678 1268 744 998 1286 1002 574 1416 0 382 532 960 1806 582 470 1434 784 608 832 908 558 578 1226 8778 840 828 652 802 722 670 1082 654 1086 1456 0 610 1018 422 822 868 1870 800 642 498 710 894 612 1030 782 922 864 1320 846 918 730 1174 988 5702 944 462 0 704 1260 382 676 1146 15656 520 824 684 730 678 710 2140 1108 788 528 1184 816 494 1316 772 608 462 1064 662 466 654 694 574 790 426 920 0 546 1170 652 536 644 634 0 0 758 866 956 1170 1266 1212 1230 1700 1000 2070 580 980 898 648 896 630 1582 0 938 0 0 1546 1318 0 0 772 770 778 696 1090 5312 1422 1162 0 952 0 1472 1326 912 966 1064 1822 1322 854 1466 1540 1266 0 832 620 746 908 1010 1116 1282 1094 872 644 840 936 0 702 1240 0 508 0 918 982 2078 1354 840 2376 0 0 830 1050 1194 1204 3106 958 698 672 1054 974 1038 0 1714 1278 724 924 886 714 1606 1266 0 782 1202 960 1442 732 824 1344 1198 940 1408 1100 992 1346 166 2004 1276 0 1856 722 1972 684 1314 1450 758 776 1340 0 998 870 1120 742 1330 1236 698 736 1648 922 1140 750 1304 1222 1046 908 546 1078 758 1774 898 1622 0 650 402 1302 1258 1430 1176 1532 1024 1734 1794 1096 1058 976 800 1042 848 1018 1850 1362 934 1132 3422 998 640 0 988 1200 1452 704 1360 1846 1034 1222 1638 652 1084 1328 758 1146 3-Methylindole 14928 14110 13676 18414 13290 18660 15042 16130 19152 15190 14024 12366 14630 9692 15738 10134 11944 18490 12580 14214 15492 17658 15328 12050 15500 11318 14728 18152 15882 14746 17658 12936 16986 12386 15010 16300 13800 9730 12126 13164 12244 8728 20450 15710 16316 5334 16296 11896 14038 15152 16198 7998 16500 17250 14394 14824 15428 8434 10486 14198 10104 11396 13094 15138 14240 16934 14508 12700 14944 13216 14454 14820 15308 12156 15748 11386 13274 14006 13266 16570 14336 18188 13916 13164 15496 15812 7152 15626 15594 14974 15736 11060 17378 12258 14322 10784 24238 19408 12516 13986 14302 19418 14880 13962 16562 17278 14390 13046 15116 20398 13602 11804 16024 14024 14968 13148 20440 14774 10832 18218 0 12598 19164 17446 15622 14560 14340 17588 14476 14902 14154 15066 15700 16076 16122 0 5762 15696 18856 10126 12842 13318 14762 16242 11046 14828 13964 17602 16332 15834 14444 17704 15542 14312 13968 15540 14206 16442 13260 16798 15196 10572 12624 16354 9666 21134 19736 17804 19444 22918 15256 19530 15580 17864 14306 14142 14486 15284 16768 18468 16990 8340 13096 12664 0 372 14252 13828 7456 16932 16906 16994 19284 16678 14290 10278 17114 15692 4678 20736 11000 16366 21578 18408 18518 14156 11474 17468 18186 19184 18984 17310 11796 19740 17440 15550 13328 18276 16728 16202 12248 13522 9474 15588 18174 19154 12946 15730 14244 14688 14692 14556 18256 11254 17292 17464 13916 21464 18250 18230 18812 15074 16416 16176 16182 19762 15164 19750 18538 20166 18392 15070 16138 16074 16170 15880 14926 17702 12046 2466 17578 16046 15054 14676 18248 14512 16632 16460 16664 16012 20782 18758 14170 14080 20574 14414 13982 13896 13976 17530 18582 16998 19282 15368 12390 17484 12216 11834 15724 16700 20526 17594 9546 19390 10526 6896 13646 12414 16744 18094 13618 12322 11150 16424 17550 15734 10290 19112 15620 15886 11876 9304 20204 13834 14056 19216 15494 19436 9252 13708 15734 15592 11596 11646 15070 14078 14304 21724 13774 13616 19458 11586 16546 11810 13786 14440 15388 12104 17608 13124 18252 14172 18360 16988 15542 16292 15674 17906 17712 3-Methylxanthine 598 0 0 792 0 0 492 0 1370 518 1360 0 6742 606 764 602 656 2642 506 0 1430 1092 732 0 932 1854 0 654 908 0 450 812 1506 1012 0 0 334 2602 0 0 1768 4552 1346 2650 1210 386 2918 0 944 1382 2068 2786 0 944 968 3698 662 3136 430 1270 1122 2264 1804 0 2186 966 1130 702 614 1216 1036 1016 1682 0 0 676 1226 1110 0 738 1396 0 788 950 1000 732 1546 0 0 1464 0 0 1006 0 1028 0 2178 1808 2344 374 0 1640 1566 1108 0 0 1312 0 1960 1424 1752 0 1026 0 0 0 1072 2046 716 1092 0 632 1064 734 0 906 398 224 0 0 544 1396 0 754 1138 1002 0 3058 0 1956 0 0 3736 3242 1300 410 2278 1322 1148 1174 616 0 1660 414 436 0 2028 0 1670 674 0 0 1150 1300 0 576 0 598 0 0 0 0 0 3572 704 1638 602 820 632 2946 0 0 0 1588 0 0 0 1310 0 1566 0 1788 974 1492 2134 1816 0 1196 0 0 0 482 1092 0 0 1702 0 1354 1016 556 0 0 0 0 1596 1374 618 2328 210 0 0 1658 0 1098 0 0 1572 0 0 1148 1076 2264 1812 0 2972 0 2064 0 0 2052 0 1620 0 2204 0 496 980 0 0 434 1150 0 1140 574 572 884 0 654 1170 0 836 1242 0 458 1592 1128 3860 0 1552 0 0 0 412 0 0 294 1742 652 738 0 0 0 584 0 0 840 618 0 1352 2166 0 462 0 1024 0 2280 0 0 0 0 0 0 0 0 192 0 0 0 0 0 1484 0 0 0 0 686 0 944 2128 856 366 660 740 0 0 0 0 550 802 0 1186 1092 1242 252 0 2184 0 0 0 0 0 0 1452 656 858 1698 1352 1742 0 4-Aminophenol 0 0 0 0 0 0 3278 4020 4648 3746 4636 3948 2862 3840 4482 3476 3830 4148 4418 4202 4636 4688 3060 4714 4356 4050 4364 4166 4044 3968 3660 5472 3768 3956 3604 3660 3064 5488 3342 3688 3872 4472 2894 3840 3750 3104 4924 3132 4720 4410 3080 2780 3820 4766 3326 3762 3048 3572 2964 3292 4442 4020 3134 2644 3670 3566 3660 2356 3210 4106 3986 3154 3090 3130 4390 4084 2922 4076 3454 4022 3788 3398 3500 4054 4162 4162 4682 3286 3540 3360 3138 3754 4002 3594 3892 4162 6216 3766 3556 3102 4538 4460 4738 4254 1972 5598 3256 4526 5350 3872 4584 3698 4362 4358 4034 5222 4318 3080 4268 4366 3368 5010 4418 3844 3968 3736 3852 3660 3794 3542 3970 3062 3680 4446 5582 3350 4250 3718 4304 3850 5832 3902 3444 3476 2874 3302 3484 2970 4408 3354 3228 3284 4540 4084 3156 4654 3060 3580 5682 4646 3790 3114 3824 3518 4148 0 226 0 182 0 0 0 0 0 3810 5738 2774 0 17632 0 4084 0 0 0 324 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322 0 0 0 178 0 6004 0 0 0 0 230 0 0 0 0 0 0 266 0 0 0 0 260 4234 0 0 0 0 0 0 222 176 0 0 0 228 0 242 0 268 0 290 312 244 312 0 0 0 0 0 0 0 3824 200 0 0 142 0 0 0 0 0 674 170 0 0 154 0 0 208 0 0 0 160 0 0 204 0 236 0 0 0 0 0 152 0 0 248 0 0 0 0 0 172 0 0 334 0 0 0 326 0 0 0 0 0 0 0 0 0 0 0 0 0 158 312 0 318 204 0 166 0 428 0 310 0 0 0 0 0 0 0 0 350 428 0 0 404 0 198 0 0 312 0 276 0 0 0 0 5-Hydroxy-L-tryptophan 4376 872 744 866 1158 1244 712 1156 668 672 1194 1200 7654 348 650 558 648 622 454 1144 1074 712 960 632 718 464 756 924 622 970 618 498 656 834 608 646 878 14620 0 772 506 17328 1130 792 468 0 950 446 492 666 1256 2202 746 1160 728 1112 1124 1636 706 626 1036 520 762 242 2028 972 1138 948 828 380 4178 820 998 852 1064 4166 906 1250 1004 760 726 804 418 762 544 1054 18716 886 598 1048 826 572 996 3436 930 1122 864 1008 784 1582 1230 420 430 510 898 1668 586 356 904 786 844 692 776 414 462 3612 1086 1012 4320 1694 15428 604 880 344 740 1300 742 942 810 648 880 750 906 1126 618 380 4908 624 1124 554 418 802 1230 1298 4218 1178 1154 1032 1700 882 714 882 1382 1018 1074 1318 998 836 1496 936 660 270 556 590 398 692 694 2076 1054 952 494 866 1522 3362 2902 1176 1116 466 1514 1084 1592 866 596 774 0 0 810 376 0 448 456 0 970 514 616 4184 660 1678 484 1650 1118 368 2106 5808 798 2140 762 676 1682 1306 548 1616 804 1360 856 286 908 592 758 712 734 708 924 1136 818 654 504 1016 620 572 1134 798 920 2346 974 654 1308 842 870 602 1122 4696 1162 12576 740 664 1182 888 928 462 794 608 448 856 1716 968 578 1154 996 0 802 424 932 412 1264 1750 418 1438 704 644 704 684 1010 3220 884 596 516 914 444 740 798 544 1032 476 994 2524 818 2030 1082 446 716 796 1044 2384 1580 9974 1358 548 1160 2092 1444 1242 3114 496 554 726 848 628 762 1842 760 1958 900 896 946 1638 842 974 8554 4902 842 5250 702 470 554 638 748 818 596 374 692 1106 978 412 1702 1030 584 1464 1326 236 736 1082 798 632 526 930 684 468 506 5-Methoxytryptophol 2634 1256 2704 2390 1738 682 0 0 0 6210 9046 4664 10880 15418 3812 14182 7522 4188 6542 0 5024 12984 4028 12208 268 0 20240 21306 0 8168 6986 4776 4216 15712 16910 3272 6242 16156 14834 4960 0 8272 3520 4958 7396 5284 5770 3920 10780 220 4458 7126 4478 5634 11178 5414 8724 4346 4884 2578 0 7146 3110 2480 8024 13090 6550 12184 16922 17418 29796 17524 14814 7508 23558 5422 6998 16234 6022 15090 11546 26360 8762 18978 10266 33856 35722 17446 26808 11586 23002 27146 21642 22868 15470 22516 14878 18664 12128 9626 5540 9268 7472 2906 5664 16202 4250 6388 27096 2606 4474 14020 1944 2100 5376 17240 8578 4418 10964 5822 2694 4010 10292 10742 9884 17178 9238 13008 12876 0 3938 18968 3232 5940 2382 3936 2998 4428 5164 9104 10022 2386 4592 4204 8356 3460 9844 4848 4220 3192 4808 26322 16080 23576 5276 5834 3768 6884 12916 3382 4584 5286 8986 6892 16156 1290 1344 560 2216 754 1116 1634 2596 202 9888 5872 4636 0 13222 1300 15608 590 632 674 2224 0 380 2888 148 1310 890 460 1226 1240 534 778 866 260 306 2184 656 2960 0 914 526 9800 314 968 2080 544 986 698 750 220 894 1390 546 1588 1132 2668 466 510 1562 9446 1136 844 366 1722 504 3608 800 1538 472 1408 994 2608 654 640 296 410 1206 630 1360 524 1176 1202 1786 838 2200 2088 316 1696 16286 778 1930 1476 1060 860 604 0 706 946 5650 1524 1098 454 354 1142 598 0 2120 404 1256 2386 2156 768 1316 1984 728 1458 1694 3102 2080 2528 2036 876 4082 2592 2720 826 1366 4678 236 1308 0 3458 1202 674 1820 1616 4110 1794 2124 3078 1774 2184 282 1512 574 1858 560 378 1550 1366 3176 4482 1094 766 636 1858 2792 1490 2094 2586 710 2068 612 2956 228 488 1054 2866 2956 3352 840 584 648 764 2052 638 1872 1424 4326 2452 1390 3242 2976 2848 1900 5-Phenylvaleric acid 742 908 864 792 718 956 2128 1920 2002 2236 2212 2290 2400 1840 2066 1768 1752 2010 1648 2130 2518 2256 1632 1988 1862 2440 2350 1660 1854 2198 1842 2570 2280 2366 2442 1670 2018 2122 2024 2442 1992 2634 1506 1990 1554 1588 1870 1904 1850 1814 1672 1504 2092 2004 1520 2306 1716 1446 1756 1328 2082 2014 1610 1516 1672 1740 2050 1922 1878 1692 1640 1994 1788 2192 1388 1014 1122 1202 1560 1502 1156 1224 1218 1156 1146 1094 836 1110 1452 1048 898 750 1016 1596 4892 1408 886 1158 1228 846 1350 1174 1510 898 840 1484 1500 1474 970 1002 1056 1124 960 1096 2042 1418 1412 1312 2012 1576 1246 1004 1486 900 1374 1294 910 950 1236 1766 1634 902 3218 1486 1536 1298 1058 1288 1282 1304 2078 986 950 1226 980 1470 1048 748 1880 650 1102 856 994 1044 1092 1048 1208 1088 908 1112 1928 1574 1724 2140 2300 982 1052 1030 802 1062 998 652 644 584 850 902 592 580 1248 660 824 776 700 630 930 1170 792 580 764 1332 1358 778 714 752 722 622 806 458 744 794 968 918 702 872 574 1254 1080 1102 932 612 1274 768 850 456 966 554 1100 932 696 628 860 1106 644 798 536 676 684 718 816 634 566 802 922 0 496 854 840 950 742 1206 544 930 928 944 986 1166 1314 876 1400 916 904 828 1426 880 782 796 834 968 950 706 848 702 574 872 698 884 1022 598 938 1472 950 788 630 1064 778 1110 1152 682 960 742 736 850 854 596 1110 1036 1112 1010 568 590 914 918 1188 910 906 816 1130 1698 756 1040 1146 852 892 798 840 1194 658 760 798 530 678 664 778 580 478 658 684 914 886 836 1454 930 1342 988 776 1104 1066 994 766 922 954 1008 1100 886 868 698 1232 1034 722 884 940 840 1090 646 918 1106 1118 1136 798 6-(Methylamino) purine 3120 3258 2756 3058 3362 2400 1570 1294 1310 1392 1192 1388 1996 294 1324 796 1204 946 714 1732 752 204 374 700 1570 2282 858 590 928 1012 892 1082 590 172 1030 824 1118 920 1008 976 568 1498 832 1020 1200 308 1134 1234 496 582 1640 4188 2080 1060 876 696 902 2168 1208 0 1050 676 1248 792 1848 250 1774 1012 1696 0 3686 728 1966 1218 1034 1054 524 964 1012 656 1110 1466 806 962 854 612 1332 150 1180 700 598 156 880 1268 1636 752 1508 838 1378 1112 1176 820 820 0 834 736 1086 0 1928 844 816 1000 880 1424 992 1158 1206 1148 1554 512 1344 968 662 726 0 2274 1412 1370 1254 678 0 1558 0 1478 2998 870 2238 1176 600 1026 1556 1376 642 3572 3644 3074 3028 2380 0 1368 852 492 1298 866 562 0 1390 0 0 1300 562 1744 1766 1276 2372 744 0 1294 1354 868 876 700 1022 1084 1254 1176 1100 1360 2278 1842 2196 1526 992 1074 366 154 2678 3270 186 2758 2356 2662 0 0 2182 3154 2050 3074 0 2948 2934 3760 3294 3054 1296 2842 3868 1064 0 1200 1558 3810 2498 2302 2598 2678 2172 742 3286 2426 2528 2836 3024 2176 3696 1718 1342 3018 984 2056 1972 1752 1108 3736 1810 2418 2736 2144 2386 3744 2004 3376 3432 3034 1596 4218 1120 2596 0 2470 2310 1966 2372 2450 3662 2550 588 0 3390 0 960 2700 1146 2278 2040 2690 0 694 816 654 774 0 2448 2002 1572 3060 2734 4428 0 2414 1660 2616 3234 2816 2494 2434 1074 2186 2410 0 2522 0 1366 762 3074 4110 3352 3174 2084 2710 3160 2956 2144 1084 1260 2276 3948 2566 0 2640 3430 2234 2810 0 3740 2706 2172 2088 4616 3892 4112 2144 0 2564 914 1142 3262 1612 2666 2678 1360 0 2716 2882 776 2330 2514 3668 1248 0 2928 3316 3322 3482 3314 3020 2598 2654 2194 7-Methylxanthine 782 632 0 466 606 498 994 1048 1324 750 1806 0 9204 504 1618 948 1124 2260 582 1168 1110 1380 1006 1156 1284 1450 980 382 1112 0 730 644 2526 2432 0 0 1342 1138 0 0 1794 13902 2386 2598 1186 672 3558 570 382 1784 2640 7358 500 580 812 1916 764 1858 2546 3130 812 1170 3224 452 2406 1066 3222 826 886 1504 1016 726 1100 766 354 882 1102 1282 612 748 746 600 580 1766 1824 736 1438 0 1514 1656 936 908 1086 0 776 312 2008 1594 3554 518 1006 726 3142 1148 604 198 1344 786 2440 3456 1192 0 1144 0 0 540 1876 2566 1872 1234 490 960 884 436 782 0 0 1544 0 0 0 926 0 0 1036 1434 518 1130 0 632 540 0 2856 2388 3872 1372 1636 870 748 490 1288 178 1198 1136 1492 898 1608 604 2132 1410 742 356 1604 1870 304 1528 700 766 0 236 604 912 0 4200 1252 1534 1374 544 0 1340 576 470 1002 2206 222 0 0 1284 200 646 0 1594 0 1416 2008 2052 0 830 294 0 0 1014 1688 0 874 886 700 1346 1466 0 412 1222 0 1112 3578 1664 1544 916 0 0 968 634 846 2330 0 794 1370 0 434 1440 1406 2506 1456 0 1120 0 2508 1740 0 1584 712 4564 0 2094 1226 1952 820 0 0 566 374 376 0 412 270 1532 464 814 1764 0 3694 666 0 948 2254 1858 1118 440 1604 0 660 0 476 386 910 762 1718 694 600 0 270 0 948 438 382 0 712 0 1092 1314 0 678 0 696 0 3376 760 0 1416 810 0 432 0 0 532 0 402 546 764 300 2242 0 662 0 842 2240 1692 1162 4090 1558 1096 2044 1902 0 598 0 0 456 636 0 1372 1488 868 794 542 1406 736 446 516 0 830 0 1048 1360 936 2086 2692 4370 1014 9-Methyluric acid 1900 1410 546 2034 834 860 1734 652 994 950 2164 380 44194 610 1666 558 478 5318 0 2850 1958 2052 0 1206 0 2540 2258 940 3824 0 500 1580 332 808 466 0 468 0 304 920 0 74920 1484 6228 1734 0 2750 546 0 2494 6004 716 1258 796 1186 6404 1058 1864 416 2530 1072 2272 4154 456 4350 1494 1880 576 852 1692 858 2740 2516 0 394 3892 1496 810 844 1416 1730 1054 1218 1006 0 1414 10734 0 634 1768 0 0 1070 1736 1202 512 2464 2308 4700 524 664 2468 2426 2348 220 818 1470 1058 2230 2210 3636 0 1948 536 0 890 1404 2212 1998 450 2330 1396 998 1046 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1750 1434 1190 1052 1178 1066 1160 1176 1086 1126 1264 1050 1346 1766 968 1290 1414 1490 1036 1586 1238 1198 1040 1124 1364 1316 1198 1534 1012 1334 1018 926 1110 1348 1244 1230 1550 1706 1438 1070 1522 1092 1562 1418 1152 1154 1126 1092 1250 960 1086 1404 1644 1318 1232 1242 1266 1176 1480 1164 1582 1224 1328 1022 1064 1942 1018 1342 954 1352 1122 1178 1104 1238 1402 1160 984 1224 2342 966 1882 1158 1992 1190 1120 1298 1108 1350 0 1222 1188 934 0 1102 998 1202 1660 1104 1014 1296 1176 1126 1612 1012 1246 1070 1270 1592 1508 1002 1148 950 1328 874 1314 1432 1102 1204 980 1352 1018 940 1096 Adenine 1142 1508 1718 1148 1188 938 2110 810 858 2742 3638 3126 3486 3858 3352 6282 3082 4534 0 770 5318 6294 0 7352 1174 2550 7056 3712 0 3370 2940 6668 2074 626 5320 6028 4324 0 4112 4866 3508 3532 4784 4606 5146 1236 4566 0 0 6592 1000 1404 2748 3560 0 3540 4438 1370 4898 1980 824 0 4388 3886 3230 1842 3752 5104 2842 2342 846 0 756 4324 3968 1812 1914 2506 3306 1666 2818 2792 2418 1480 1224 2858 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6584 5452 6108 4574 4086 4124 4524 4228 5970 4340 7088 5680 3630 5238 8744 4350 4304 4346 8338 9160 9270 7770 4062 2926 4058 2692 2522 2138 2250 3610 4348 2546 3238 2074 6026 2384 3696 2790 2498 4000 2570 2898 3792 4548 4254 4454 3496 4274 2936 3460 6096 2566 3898 2882 2072 4310 5682 4326 3162 5006 3156 3530 6066 3374 4588 4400 4906 7816 2814 3806 2562 1896 2152 11162 2862 2014 3904 2486 6720 5696 3362 6596 5780 3198 5048 5780 5766 1854 3882 5546 4338 7090 4760 6430 4848 6938 7050 2606 2318 3316 2298 2778 2896 1420 3012 4036 2454 2200 3656 3344 2938 2778 5774 3294 5950 3440 2654 2752 2892 4560 3106 2394 3994 Alpha-N-phenylacetyl-L-glutamine 46104 20596 42502 30176 3758 37714 12640 30020 17594 16240 8848 3220 90506 1414 5036 22222 5640 8684 4186 27074 36742 7816 16570 16888 19440 11216 32474 26090 4182 12820 19662 8242 16418 57098 28570 28852 3630 199854 44400 25640 4510 237128 3812 58450 22772 2132 4802 9832 4352 2024 26380 21568 29796 24498 6096 8398 0 9800 5950 3762 7122 37174 24758 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340 0 368 582 0 230 264 9070 404 232 0 104 0 244 198 392 254 180 142 0 314 1022 204 172 238 0 268 266 142 152 366 232 308 284 292 0 192 544 278 408 232 0 414 130 158 286 0 172 132 192 0 258 136 394 166 220 452 264 274 270 140 604 0 266 214 206 206 388 112 250 298 1102 256 716 10186 19282 6808 13596 316 79530 2324 5672 232 214 0 15404 0 662 0 196 922 8722 152 216 220 4930 0 406 9138 650 5292 680 10118 19406 460 174 892 402 528 3026 308 1094 10670 414 26920 1294 16034 35860 5984 25356 5906 10400 12758 5666 1052 588 610 2816 384 174 536 126 25320 430 6128 364 4040 10926 580 2990 2368 1638 1590 12442 5288 3712 328 2348 2558 1056 838 610 5950 2952 14612 1640 9640 0 9948 2702 188 1920 728 6640 16588 17584 4354 260 10990 1220 554 25624 1632 578 632 17238 0 1584 5742 13294 2262 390 576 3808 7440 9040 4930 2268 334 2970 2268 6412 666 3682 368 1778 2364 1204 2386 5984 6032 1398 5082 166 588 2534 1018 788 1618 1408 846 0 480 3062 2382 10422 6022 320 1860 2840 0 1190 1014 1292 480 882 740 19228 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1434 1546 1174 1740 0 1196 1164 1194 1658 1516 1824 966 1946 1200 0 1016 1062 1218 1356 1320 1440 1230 Atenolol 0 0 0 0 0 190 2200 3672 2970 3382 3872 3208 3368 4252 2976 3650 3504 3414 3186 4274 2910 3382 3724 3990 3632 4054 4578 5396 3890 4216 3760 3304 2744 3572 5042 3510 3774 4004 3838 3326 3002 3364 3200 3642 2988 2726 2970 3186 3734 2710 2542 2244 3098 3154 3862 2892 3564 0 2746 2732 3866 4468 2164 2198 3124 2754 2992 2574 3760 3858 3162 3430 2976 2198 3914 3078 2816 2512 2686 2696 3286 4498 2590 3510 2606 3480 3324 3326 3430 3462 3524 3386 3114 3708 2470 4390 2632 3086 2404 2728 2608 2600 2880 2556 1702 3478 2214 3320 3576 2108 2860 3126 2258 2778 3180 3214 2646 1596 4492 2310 2758 1960 3368 2984 3102 3436 2232 2474 3364 4316 3470 3734 1944 1848 2546 2868 1468 2238 2360 2392 3062 1702 2744 2112 2734 2682 2314 3522 2958 2768 2872 3776 2676 2712 2080 3514 2590 2190 3362 2556 3698 3480 3610 3350 3158 394 0 262 0 0 0 0 0 0 2946 3252 2228 0 4084 426 3444 724 0 136 440 0 244 0 0 0 0 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0 364 792 320 1694 1088 0 702 0 922 422 0 1472 1956 0 0 378 1580 1106 0 3048 720 1170 2176 0 270 1738 0 0 0 0 512 1938 0 0 0 2064 584 0 796 0 1522 0 980 1344 1046 0 492 0 958 1804 302 952 0 694 1670 3518 386 152 840 1552 0 1398 716 354 954 472 1678 286 406 0 3152 2242 526 1690 1836 1732 1438 1142 0 254 586 0 836 1614 234 0 1906 444 794 986 2372 1422 1946 386 2166 1028 704 780 0 986 774 178 634 954 878 0 1010 312 0 310 1540 1242 0 326 1130 1896 1228 1362 964 470 0 2516 284 194 998 604 0 686 566 868 640 2048 0 1830 1160 0 2224 882 1146 0 2714 588 0 3380 316 0 434 970 0 996 862 536 450 1410 238 0 2170 1856 0 592 1550 0 688 388 274 1266 0 312 258 1216 556 348 708 1228 0 0 864 510 208 0 0 352 0 994 0 3118 796 628 1034 3084 378 2674 0 618 0 0 1514 378 394 2094 1434 238 1170 252 624 1508 0 764 2128 0 0 2112 0 0 0 830 1354 378 264 1092 854 322 0 1124 408 1706 2606 642 1730 278 2088 354 0 1012 546 240 0 1124 0 778 1116 0 436 1012 1184 584 448 536 424 654 0 752 556 0 1108 2474 518 522 0 0 2324 0 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18580 18532 0 16674 0 14826 8432 11064 21952 8178 13946 12414 12766 13088 10164 0 8468 15736 10614 6428 0 0 9820 15518 0 26478 16474 26390 17246 11276 15520 22016 15604 22892 18982 19172 7534 21728 21614 15718 8108 4304 7540 17236 16398 0 15986 21022 7418 8576 17606 3826 7166 9514 7980 7968 0 0 18506 12792 6434 14888 10834 14602 8396 12612 11114 18350 13742 7932 14502 15344 8152 11542 6814 0 5234 20594 10610 17720 15228 8208 14608 9900 12226 10566 10190 5666 11608 900 5012 12294 19220 8206 15956 13248 17502 10684 18580 7202 18730 14066 7190 19740 11202 10746 7364 6568 8028 4680 0 24280 9426 9604 0 11564 18506 9888 6404 11468 14298 12006 15966 8082 9758 11618 11924 12618 15600 7364 11442 10810 16688 14532 15984 5362 12476 11622 12186 10662 11320 16292 30162 13410 16260 8336 10224 11678 22926 10530 9878 7504 8910 14904 11036 15182 5270 4708 8318 16224 4720 10868 15270 22798 19102 15914 19370 13872 20812 768 10432 17010 15488 12440 14866 32524 15576 18878 21294 13842 1200 0 31748 19620 7180 28498 12912 12050 14556 14864 19448 28666 9614 17208 3666 16292 17548 18754 10844 15056 22822 6634 24122 20902 24040 27166 17368 10104 23834 10046 13680 24052 16574 19958 19132 29376 17994 16766 36878 11712 30868 41904 16694 12612 17196 7420 19660 21196 25934 25370 13044 24876 7504 17022 13510 18136 9592 19768 16160 10728 10824 17210 15708 16636 47940 21472 25814 15552 7986 1390 19796 12098 794 15134 27862 0 27262 17450 20874 15078 14104 16136 12092 16386 25556 26898 21572 10266 32138 24886 26258 11726 18602 16440 25726 15386 34890 5250 27546 9798 34450 33332 53560 26576 15550 19920 23666 19188 34010 15804 33608 19968 25616 34236 32230 27184 29142 50682 9522 48430 25374 10598 30866 24432 23958 42614 15386 38988 13522 33588 814 10758 9970 28866 24386 19406 24754 19612 8068 33118 37058 14442 33580 16502 12168 25312 14472 26988 40462 39946 47958 23878 19630 19584 33438 19118 19212 20508 23312 17674 23454 33144 20112 22278 12880 Coumarin 3468 3986 3910 4314 3530 4566 0 5278 5036 5174 4354 4292 5376 0 5144 3010 5842 0 0 4616 0 2658 0 0 4416 5062 132 0 0 6632 0 0 0 0 0 0 2596 0 0 4330 2768 0 0 0 0 0 0 0 0 0 3542 3050 3560 0 0 214 0 2588 0 3390 0 0 0 0 0 0 0 0 0 0 5606 0 2348 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1604 0 0 0 0 190 0 0 3778 0 3534 0 3882 0 0 1602 0 0 2476 3732 5442 0 0 0 0 1604 0 0 0 0 1610 2134 0 0 0 0 0 4390 0 0 2908 0 0 2382 0 0 4444 0 0 0 0 1944 5008 0 0 4582 2994 3362 3672 3686 0 0 0 0 0 0 0 6294 1424 0 3376 1956 0 3662 3780 3532 3106 0 2036 0 0 0 0 0 0 0 0 0 0 5506 4420 4204 4768 4900 0 1172 0 0 3700 4008 0 4270 4982 5028 6328 4890 4520 5634 5214 6054 0 7292 3938 4130 5012 5430 0 4522 7546 0 4696 0 2124 4812 3524 6248 2924 4746 3514 0 4578 4920 3986 3574 3028 5100 4630 4636 4236 5252 0 4122 4776 4026 5098 4390 3136 4668 4068 6698 4460 6842 6484 3782 6458 6538 5400 5754 0 5456 5294 4324 4742 5446 4898 4888 4574 3672 0 6172 3508 0 0 3556 3508 4526 4428 3780 4138 0 0 0 0 0 4708 4196 4242 4684 4012 3492 0 4700 6650 4876 5342 6312 3930 7628 0 1298 3528 5840 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2828 1594 2060 2216 2652 3994 D-Arginine 10018 3054 7596 11562 9614 6362 7902 9852 11900 9856 5880 7280 8144 5282 10780 6120 9908 18784 7440 7028 10292 7282 15322 6480 8496 8178 10998 6590 9544 19412 12972 18398 16558 15584 9090 16090 10926 4532 6956 4674 11106 10996 7878 4484 6302 4324 9476 12872 19124 10692 7336 3592 8022 14368 7034 6280 9824 3610 8184 7758 12380 2890 5168 7346 6410 11748 6866 4250 8246 11602 3870 7274 3038 6768 11338 11930 5640 9182 3620 10360 15336 9682 5252 11876 5440 5972 9964 7722 7334 5008 17686 6030 8350 10260 1828 3620 6606 5012 8022 7450 13302 22394 6162 18738 14252 22004 5526 17882 8400 30932 18010 7372 2842 15504 7456 10392 17650 13296 11578 17986 7074 12106 17764 10506 12514 10526 4224 11604 9170 17308 6342 15786 11942 11644 6008 10276 5726 7476 11484 8306 8760 11554 9380 9834 7798 10968 12566 8580 6538 12824 15796 19072 10430 7222 11854 9962 5424 21108 12804 10376 6186 9416 8116 11478 10684 9946 13314 7068 13626 16072 12626 11122 16878 25812 18392 13612 10892 13234 1368 7842 10092 9704 12986 7750 2310 698 5840 9264 10126 5926 13934 9906 12524 13124 5652 11266 9344 7210 8978 8042 7582 8684 6258 4062 5232 5736 5718 9746 5270 14030 6466 8536 9580 10962 6008 13692 4354 4184 6480 6936 4114 9966 10050 4356 4978 16986 6776 12256 4572 4678 7358 6284 11516 4440 3758 10904 3472 28928 8442 16946 11620 9568 11622 26600 7938 4016 5060 5696 17958 13878 7892 7232 10812 13856 5088 9562 16452 11456 9152 2016 5270 7360 7442 10124 8926 13260 7390 13428 4122 9860 12496 18340 4406 5528 11700 11552 5444 6894 8924 9906 13496 4920 7800 17030 8654 5304 13942 11816 3424 10824 9014 8668 9966 2328 7546 8120 9006 9038 7842 6044 9602 8924 9540 17780 10442 2928 8518 296 3656 5044 7146 2928 6746 13658 9614 16256 9720 8422 17832 5832 13410 6090 1884 8942 19328 8456 14626 11514 10634 7970 17018 13746 16806 8272 16988 9404 10700 13820 12006 10408 7740 12024 12972 10968 8948 11746 7562 10406 2762 D-Glutamine 4064 1798 4058 2666 5872 4360 3526 3696 514 3240 4210 3160 2830 2060 3884 4750 4292 5012 4360 2076 5046 2070 3588 4414 4906 4090 4144 914 2698 1554 3542 3594 6586 2962 4596 6520 2970 1334 3338 2720 5024 3288 4000 2550 2268 1552 4984 3016 3976 4298 4048 2246 2770 2858 2924 1714 2034 4758 4128 4640 1002 2368 2782 3970 2712 2106 5416 2372 2048 2820 1630 4030 1416 3884 3066 3558 2324 3232 7106 3460 4392 4660 2968 1976 5386 3662 5238 4354 3248 2132 4260 6018 3438 4260 4186 5424 2846 4326 3344 3530 2370 2066 3312 4050 2430 2366 4124 3902 4700 5870 3274 3668 4912 4224 4608 3458 3486 5042 3170 4214 2314 3272 3718 2862 5808 5800 1488 3572 4976 3236 4784 5414 3660 4042 5994 2938 966 1992 4364 4866 6264 4650 2008 4482 4046 4218 3416 5334 4994 4084 5450 4088 6068 2822 2500 3656 1788 4246 5450 2938 3416 5000 3128 2652 3084 3434 2898 1952 3700 4336 3348 2398 3868 3924 3082 4816 5114 3818 1886 4124 3064 5296 3440 3970 4558 884 4738 3770 6680 2350 3832 6060 4504 4416 2084 5432 4712 3260 4552 1804 3818 5428 5244 3448 1694 3210 5988 5570 3806 4550 5644 3348 5040 4180 5090 4774 5664 5068 3140 5116 6194 5888 4616 4674 2064 3550 2836 4312 1942 3788 5594 3920 3620 5758 4646 5562 3730 5746 4818 3864 5048 5636 2334 4818 5612 6158 3634 5444 3770 2824 2088 4564 3294 4502 2064 5028 1366 4708 3414 1222 2658 4714 3682 5238 1824 3258 5126 4758 3376 3362 3900 3182 4044 4140 4712 5144 3630 5976 4104 3036 2814 4988 3482 3964 6566 2756 4764 5278 4126 4940 5882 5464 3750 5484 5560 4896 4674 5290 4134 2612 4866 5054 5676 5054 2500 5696 6616 6032 5576 4746 5274 4954 4290 3964 3852 7630 4428 2468 2850 3696 4586 3320 6654 5690 3828 5772 5906 5302 3762 3824 4446 4270 3812 3206 3780 4674 3562 4002 3010 4914 4750 5240 2808 4458 4202 3468 6130 3500 3184 Deoxycholic acid glycine conjugate 1786 6114 8098 7292 2322 4560 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 388 0 270 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 498 3652 0 0 0 452 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1346 0 0 0 0 0 0 0 0 0 0 0 0 842 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 630 0 0 15632 8700 24096 10218 5902 8882 29936 0 23430 0 0 0 5822 0 0 0 0 2292 27744 0 0 4108 7286 2704 0 4822 9214 1284 2938 4792 1764 6966 8170 12690 2334 1520 1668 11122 1216 2298 0 10378 5240 5204 816 4946 8830 5120 25568 11128 15716 13478 4288 6222 1314 0 4196 0 0 2716 904 3062 720 3508 1780 3148 2358 11208 15126 1112 1986 2170 2286 0 0 1680 3334 0 8650 5314 894 6178 0 11190 8742 3018 5638 0 8724 3836 6794 3798 686 3444 714 18298 29814 482 5262 1498 2640 4844 13236 7048 53854 57462 6588 5142 2540 18278 10328 3620 5290 4210 0 3226 7704 10238 3608 0 1544 1426 2138 4450 0 3974 3486 3222 4170 1184 1350 1704 20454 796 3522 1952 2188 0 672 3732 12586 1936 990 6962 668 1578 1770 5190 1872 11868 6544 5406 11244 752 20162 3512 15696 27932 6196 1824 890 6782 8480 5038 4924 3612 4584 5750 5734 1058 5818 5438 10300 1084 1118 7006 1620 18080 3260 10250 3300 9088 7886 8912 Dihydrothymine 526 0 332 260 384 264 2334 1694 2152 1546 1572 1658 1242 1794 2224 2002 1612 3366 2224 2018 1784 1758 1186 2060 1634 1740 1490 1208 1996 1942 1268 1454 1280 1222 1634 1738 1328 1444 1698 1474 1544 1282 1162 1940 1420 1274 1532 1320 1692 1364 752 1084 1184 1238 1082 1374 1302 1574 1060 936 1760 1784 876 1018 1134 842 2288 1380 1664 1324 1224 1150 1458 1676 1970 1134 1626 1250 1206 1734 1440 1050 1558 1246 1506 1054 1544 1160 1184 1138 956 1124 1064 982 1228 1300 854 932 1108 1240 1172 1114 1484 1304 1012 1680 1294 2076 1194 1068 1470 1614 1170 1410 1638 1168 1396 1628 1574 1216 1432 1470 1478 1504 1466 1624 1364 1874 1834 1216 1326 1230 0 1502 1474 1356 1390 1630 1526 1162 1170 1114 1402 1336 1464 948 1152 1444 1384 1182 1258 1324 1236 1026 1580 1524 1104 0 1312 1604 1528 1544 1252 0 1876 342 318 428 440 330 470 268 726 242 818 876 1114 336 1510 496 1220 280 0 820 0 0 364 0 0 326 504 444 248 238 0 506 404 540 0 918 142 314 484 412 334 1022 252 278 312 320 252 346 270 312 294 406 270 0 240 482 278 474 422 1194 296 0 108 0 610 324 492 282 448 0 0 222 370 372 516 190 0 438 0 436 0 396 284 292 372 286 0 508 476 240 468 288 368 410 320 0 372 466 778 400 0 0 336 548 604 346 338 612 0 438 280 358 316 198 0 332 238 184 300 404 220 384 268 258 384 404 440 376 0 460 416 242 422 0 224 202 484 278 728 188 0 512 268 310 442 374 0 668 0 406 296 252 430 0 262 414 334 308 584 346 598 216 0 414 0 0 448 284 474 0 486 352 362 604 324 404 0 0 222 0 0 0 398 342 0 DL-2-aminooctanoic acid 4460 4234 2260 7244 2928 5058 2440 10712 3508 2772 4012 2528 4488 2166 2986 1638 4054 3412 2308 13854 7972 3786 6352 2804 4082 1844 5144 1184 2258 2164 3766 1900 1694 8552 1454 3674 3132 6012 4156 2238 2876 5674 2332 2980 4446 810 6848 3686 4186 5452 4006 4130 3062 5402 2324 6516 2480 2162 2546 3174 1554 2160 3626 1336 6132 7776 2900 6026 7016 6298 6440 3768 4680 3470 2982 3740 2674 4868 3890 3468 2588 1696 7810 2598 4740 3940 3880 4338 3098 6120 3454 1222 3042 3154 2904 3922 6704 3402 12052 2120 1488 4498 2758 2264 5404 2864 3012 3366 1910 3758 6162 2674 3516 3680 3940 6604 6208 2056 3544 5514 5576 2992 1626 2446 1490 4594 4714 2306 6062 2984 2836 4652 2310 3518 3072 2026 7590 1818 1470 3390 2448 1944 3256 2334 9340 3698 7484 2168 2676 5914 4842 1842 2774 3008 3790 2350 4386 3934 2296 2794 3438 3658 2900 1552 1122 2522 4410 12210 3630 4154 5352 8464 5368 5580 2282 5312 3100 4920 3950 2016 2750 3382 3300 3786 372 132 9888 2112 1490 10184 4634 3504 4080 3426 4248 9616 4764 2018 1110 3148 2392 3290 2350 4390 3944 5468 4182 4178 6082 7022 5548 5560 4288 4988 1982 3860 1754 5058 7344 3514 2024 3454 1278 2496 2580 4122 8286 4226 3952 2376 2376 2596 5026 2766 2494 804 5424 1838 2812 1974 2886 2746 2510 2330 10436 4042 5216 2012 1930 3484 4356 2908 3556 4512 3094 4202 4806 2260 3830 634 5704 2842 3734 2956 6630 3536 4080 3232 3198 2688 2834 3518 4230 1550 6484 3506 8436 2754 3022 6272 2152 3228 2046 2258 630 7154 1882 3194 2036 3392 3432 6138 10684 6004 844 2876 1850 1492 1382 5808 1024 1616 6028 626 6256 4102 1110 3418 3694 1778 3940 912 7708 1792 2904 2530 1890 4520 10744 5380 4406 7236 2326 1470 2652 8678 824 3674 3398 3118 4216 4996 3026 802 1510 5394 1284 5440 2106 3718 2764 2544 4084 6022 1484 1830 2606 4064 4098 DUMP 2046 1982 1742 1934 1982 2628 1456 0 1510 1774 1472 1710 1700 1308 1412 1444 1328 1468 1396 1150 1542 1696 1760 1222 1542 0 1582 2080 1182 2228 1654 1694 1490 1820 1680 1538 1700 1232 1710 2076 1906 0 1580 1910 1922 1858 1714 2152 2248 1766 1562 1936 2168 1950 1850 2308 2152 1892 1996 2118 1540 1318 2256 2478 1694 2188 1844 2678 2142 2306 2298 2734 2114 2914 1982 1468 1556 1364 1382 1560 1474 1660 1384 1402 1434 1336 1328 1978 1762 1582 1408 1436 1692 1864 1670 1624 1596 1910 1436 2150 1920 1608 1816 2144 1812 1658 1516 1854 1972 1624 1928 2090 1516 1678 0 1972 1896 2030 1930 2208 1928 1976 2024 1902 1646 1614 2102 1762 1950 1218 2192 2212 1760 2264 2156 2404 1386 1778 1666 2146 1848 2040 2016 2204 2036 2376 2108 2282 2024 1972 2240 1880 2468 2260 2100 1926 1790 1924 1594 2980 1342 1448 1290 1278 1452 2602 2058 2006 2092 1912 2416 2250 2156 2110 2126 2304 2274 2446 2184 2170 2168 2216 2502 2026 1458 390 2106 1880 1870 1968 1974 1956 1702 1936 2182 1678 2284 1856 1930 2356 2160 1700 2120 1838 2732 2068 2096 1760 1960 1586 1758 1918 1932 1762 2174 2234 2258 1982 2134 2102 1808 1846 0 2496 2276 2234 2032 2058 1758 2044 1766 1830 2348 1478 1500 1972 2270 1860 1792 1774 1786 1644 1936 1578 1828 2142 1704 1978 2108 1716 2296 2272 2150 1816 2138 2300 2036 1694 1794 1412 1902 1944 3468 2772 2088 2232 2304 2134 1948 1780 1718 2002 2200 2178 2044 2064 2118 1986 1590 1958 2264 2296 2292 2430 2234 3128 1926 1776 2016 1770 1882 1884 1792 1598 1992 2126 2952 1908 1878 1772 1768 2104 2090 1734 2088 2424 2270 2126 2152 2032 1746 2376 1988 2506 1896 1894 1958 2090 1626 1526 2174 1890 1892 2000 1924 2158 2224 2318 1896 2214 2768 1794 1902 2392 2050 2072 1976 1762 2228 2062 1652 2166 2052 1924 2192 2126 2348 1978 1884 Epinephrine 3164 3214 4000 4086 1096 2300 5464 3510 2522 3258 2136 1076 1834 1944 1572 2276 2368 2308 2412 3310 2204 3786 1914 1752 2612 2314 2566 3012 4204 2588 4084 950 2290 2356 1500 2928 2692 942 2388 1536 1518 1634 2432 3642 3302 530 3322 2214 0 2478 5012 2448 4082 3526 2712 2944 4346 2334 2730 2020 1414 1074 2902 1714 2162 2594 2158 3174 2008 1372 1794 1194 3070 0 2530 2184 2466 3982 3048 2802 4964 2252 3412 2566 1852 2704 2296 2106 2702 3874 3014 2658 4122 2046 3386 4242 5686 3126 2252 3270 1678 1848 1652 3100 3800 2100 1992 2122 3238 1548 3110 2750 2282 1986 4822 1322 4668 1644 3048 1720 1424 1984 5404 1936 3060 1380 2282 2906 1422 2910 1544 2238 2288 2576 1930 2202 1934 2408 3140 2092 2572 2662 1888 3336 1700 1904 3076 3628 2662 3662 2354 3556 3910 3366 2356 3372 3320 1950 2324 2198 2864 2504 3002 3488 2640 3468 4176 2296 2348 3320 4528 2496 3248 2624 1404 1056 3262 3066 2536 3482 3128 1058 2174 2302 0 0 1752 2018 928 1892 1852 2218 4388 2096 1932 1992 2328 2726 764 4022 2162 1262 1806 2898 1934 2200 1590 1232 2530 3190 3960 4462 2642 1782 2300 2390 1958 2726 2834 2812 2336 2554 2164 3124 5624 1874 2076 4750 2052 4220 2032 1374 2448 1868 2218 3520 3328 1024 3020 1648 1586 2574 2706 2200 1526 2180 3444 1628 2874 3092 1872 1754 3226 3126 1834 1378 1968 2342 2538 0 1962 1636 1216 1600 3152 2686 1958 1524 2288 1522 4356 2856 4326 1600 2816 1858 3032 1622 2202 3358 1270 3092 3360 3690 2320 3846 2828 1486 1762 3588 3692 4594 3328 3054 2588 3286 2816 2084 2452 4918 3014 1260 2530 3170 3006 1958 1774 2292 3512 1732 2590 2042 2890 2420 3274 3828 7036 3258 2506 3812 3150 3226 2626 1692 1004 1928 2012 3386 2290 1246 2110 850 2896 3574 1858 2254 4518 1066 3244 3856 3816 2200 3982 4350 2540 2734 2260 2824 3390 Ethanolamine 1030 1602 1972 3094 1580 2138 348 280 0 0 328 0 138 0 282 194 0 128 0 304 0 194 444 0 432 166 106 0 506 346 498 0 192 0 0 1142 158 0 0 0 0 324 692 0 156 0 0 134 0 482 710 344 206 226 168 0 468 0 0 174 342 512 0 0 0 0 0 0 0 0 0 0 222 0 232 194 0 228 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6308 270 0 0 0 540 320 0 0 0 0 0 316 646 276 0 0 0 254 0 0 0 182 0 0 0 0 0 0 0 0 0 0 266 0 0 0 0 0 0 0 0 0 0 0 190 0 370 0 0 0 0 0 130 0 0 208 0 0 0 164 0 0 0 462 332 804 532 158 3860 2900 2862 2562 2986 1658 3580 944 3008 0 0 0 1118 0 788 0 2648 2362 2074 0 0 914 696 2518 1660 2422 1308 1562 1092 1462 1704 1862 1920 1262 1420 1034 818 4366 3222 2712 0 1872 2036 3612 4670 3204 2508 1496 3498 2416 1928 2278 1274 3204 742 1256 1292 912 0 2374 1378 1846 816 2730 568 782 3432 4330 1354 1616 1104 778 1148 560 808 1608 1212 630 1142 1458 938 2952 760 9608 2756 2198 1314 0 1026 1606 1782 5026 3940 1252 0 4406 1856 1066 5478 2004 784 2100 3918 2606 2626 4956 4626 558 1664 1818 1024 2562 802 986 724 1790 1094 1412 700 800 3604 2216 1466 896 980 488 540 1292 848 2674 1648 1124 4410 1274 1286 2196 2086 818 1136 830 880 2392 1430 1626 798 1796 674 1838 2040 1396 1800 738 1096 2114 904 904 534 854 768 2672 718 1350 1186 1864 1040 2274 1680 2302 2072 1392 1316 2364 3044 1042 540 1068 784 2848 1724 5240 2248 4166 840 1218 Gluconic acid 1282 1278 530 1592 534 1054 1216 1688 808 2632 2810 0 10720 0 1852 1090 0 4328 0 2926 932 1948 2768 1688 0 4456 2776 1424 3750 0 534 2024 262 716 0 0 1036 5798 0 684 0 29902 1170 1488 1804 0 2504 486 908 2410 5100 1696 1492 942 1930 5144 1238 3126 0 1180 2052 3958 2098 0 2516 3832 1094 1588 2122 1712 2128 1716 2290 754 0 2576 2876 2510 1388 2100 2014 2392 1662 1256 0 0 7416 0 0 2696 816 0 2144 0 1660 0 3460 2552 5258 730 1258 2822 2296 1536 0 1674 934 0 1504 1646 1968 0 2366 682 0 0 3362 2388 844 0 650 2120 1220 1860 1260 1644 494 2198 0 514 600 2502 0 2468 2096 1728 3324 3954 412 2082 1024 0 6002 2812 6488 366 3400 0 0 2646 1038 0 2486 1648 410 716 1412 598 1498 2046 854 716 4188 2706 0 1908 1174 3936 0 0 0 1834 0 2722 1528 3692 1496 1254 1422 3366 0 0 1226 1282 0 0 0 1720 0 2690 0 2428 1328 1782 3844 1406 1044 4498 0 0 0 0 7796 590 930 3548 2200 862 2466 0 982 2986 0 2438 2298 0 550 0 468 0 0 0 0 1786 496 1460 1420 0 982 1384 1282 2766 4148 1284 2518 568 6432 636 198 1536 684 7266 0 17996 1582 0 3594 772 572 536 0 1188 926 1022 1046 1548 0 2456 2548 0 1420 1458 1094 2054 1038 0 3346 0 4332 0 0 1182 1256 0 0 0 1166 1486 2042 0 330 430 2354 0 0 3032 1246 512 3732 3426 0 320 1264 2414 0 0 0 0 0 1928 0 692 0 0 0 374 766 0 322 0 3134 0 388 448 2714 1554 0 2228 10434 3356 1008 2574 1826 0 902 0 284 1098 1636 0 1914 7448 2426 966 530 2758 456 0 0 0 1208 0 1338 1118 1168 2976 1784 1378 760 Glucosamine 3184 2506 1928 2030 2208 2568 3150 3184 2924 1546 3106 1702 10596 1554 1294 2148 1196 1770 1338 4732 1692 2252 3476 1496 1828 1986 2324 2136 2382 3158 2340 2506 2262 4252 1672 2068 2140 17984 3116 1974 690 20262 1620 2474 2144 564 2158 1696 1296 1776 3072 4318 2956 2056 1876 1910 2606 1956 2008 1502 1716 962 3008 1412 3738 1612 2664 2232 2728 2520 4426 3716 1970 2306 2600 4244 1720 2004 2466 1684 1946 1880 2382 1674 1154 2168 13656 1446 1872 2366 2312 1904 1462 4790 2480 2440 3616 1686 2618 1648 1460 1862 2092 2212 1712 2608 1288 1192 1432 1680 2340 1712 2486 1064 2050 2268 3160 1552 5016 1916 21800 1968 1090 2646 1732 3558 2066 2240 1510 2266 1376 2370 1718 2438 1604 1110 23768 2472 1342 1062 1792 2460 3262 2036 3846 1850 2584 1464 1172 1566 1524 1516 1792 2536 2330 2054 1298 1638 4134 2466 2498 1322 2366 1912 1510 1712 2194 3096 2546 2144 1260 2288 2596 4412 3376 2436 1852 2368 2368 2058 1654 2530 1226 2326 0 0 2124 1884 994 3084 1802 2260 1224 2182 1298 11534 2138 2212 724 1794 1238 2246 2834 1826 2022 3064 5348 1898 1744 1986 2528 2894 1106 1512 2086 1838 1834 1340 2470 1422 1954 1434 2180 2578 2362 1594 1334 2514 2600 2210 1746 1284 1544 4662 1842 1630 2422 1824 2384 1764 2310 10438 2304 40376 1770 1504 2028 1556 2198 1714 2630 2978 2374 2080 3470 2312 1866 1754 2984 0 1558 1656 2584 1600 2440 2108 1734 1974 2474 1956 1606 3628 2710 1164 1876 1506 1870 3322 2028 1990 2184 2012 3988 2034 1866 3202 2070 2042 2484 2360 2052 2570 4640 2554 2688 5686 2138 2162 2288 1958 3904 1886 1908 1840 2046 1770 2684 1326 1624 1714 1968 2272 1804 2494 3266 2512 2062 2302 15356 6006 3306 7096 2136 1556 2924 2276 3520 2038 2544 1594 2218 7526 1606 2438 2806 1910 1598 3182 1558 1538 3472 1606 1622 3542 2056 1978 1558 1378 1508 Glycerophosphocholine 3192 3638 4320 4756 4340 4600 5998 7670 7268 7364 7186 6166 4068 4582 5518 3748 8682 4696 0 7034 5758 3706 0 5318 6132 4776 4618 2776 3198 4778 7510 6524 4742 2968 5320 4320 5918 1022 4702 8548 3294 3624 6130 6116 4764 2658 4424 5232 0 4730 3806 1976 7002 6570 4596 4732 5672 4544 4422 4562 5724 4692 4946 5488 5682 4480 4690 5560 4816 7430 2130 5106 3096 8520 5372 4276 5502 5250 4658 5576 7590 5516 5376 8166 2818 4564 2720 5498 5242 4368 3906 4900 5658 5920 5344 4564 7044 4318 4784 4530 7516 11050 4062 5100 6888 9028 4502 5026 4638 5466 5876 6570 5736 5622 4826 5958 9204 5426 0 6648 2096 3538 5742 0 5168 5368 6600 8506 6490 5252 6994 8106 6882 4006 3174 3832 2242 3392 4740 7908 4450 5096 3336 0 3334 0 5930 4276 6696 6460 5328 7776 5512 6334 5692 9016 6364 8392 3134 6658 3644 4088 3316 3116 4204 4184 6574 4806 6296 4478 3404 5250 6122 4778 5804 11372 6594 6172 6672 3500 5328 3782 4178 4996 0 0 6910 1984 0 5554 4246 4078 6474 3612 3354 2012 5624 7066 1768 5158 4544 4370 4712 3954 7188 4668 2898 4574 4924 4526 6318 6784 3430 4116 0 5170 3952 4536 4922 3518 3788 4252 4610 6070 4800 7764 4364 2674 0 3972 3262 5290 8316 1964 3212 4204 2592 4042 3004 3544 4844 3294 4832 3130 3278 3120 5358 3500 9754 4350 3634 3388 3214 4480 4600 4410 11464 5300 4206 184 6638 4968 5862 3238 4832 3866 4764 6052 5608 4124 5674 8298 4438 5722 4026 4048 3320 3368 4780 4186 6540 4418 4920 5622 5836 9198 7826 5636 4182 4300 5000 4550 5780 0 4892 2430 3916 2596 0 6496 6620 4242 4444 9006 4292 4320 3782 1914 3670 5706 4020 7608 5342 7612 3602 4496 6460 4216 3780 2210 4654 2982 4840 3154 8076 5382 5804 6024 5426 3744 8670 2798 5810 5438 8932 4932 4144 3848 9770 3082 2918 4494 4266 4870 6512 4224 3310 3984 2932 Glycine 10660 5982 5956 11248 4848 5258 7652 7816 1342 8040 11230 5808 11008 3696 9100 4578 5502 11146 5908 7290 11204 10904 10886 5680 7108 7614 10434 5700 11464 6360 6946 12578 5718 6554 4246 6932 7756 6682 5240 5314 3250 7906 6200 11978 12668 3164 7198 10094 5676 5670 5988 8934 8800 6492 6076 10210 10388 4908 6072 9690 2078 7358 10664 6222 11314 9226 4896 6678 11410 6764 10396 7960 1624 4742 8502 7876 9110 10830 7330 4506 4692 5972 5302 9334 3424 6014 5820 3886 5920 6738 7902 3040 6120 9244 7054 13032 12158 7566 6816 4768 6956 19548 4650 12344 12402 10402 8484 6200 6966 9758 9316 7278 3268 2946 6410 6702 12098 6376 7324 6152 9150 5990 8664 8640 7182 5242 9960 2912 5972 8246 6240 8148 7746 7136 5762 5438 10056 6092 5368 5092 4304 8108 10884 9334 7932 6266 7976 4934 8520 7790 5164 6104 5590 9884 7772 6880 12214 6082 7648 7510 5432 5686 6448 6486 9342 4696 13866 9474 9240 13186 7572 10464 18862 12008 10112 5684 6592 7584 11338 7232 9514 23570 5186 7170 746 0 6546 5132 2236 7264 8928 6754 6838 4370 8810 10020 11096 2570 1734 10880 6794 7304 7910 12450 10376 8942 7300 7562 9324 6796 4214 10200 4086 9444 4396 5040 2576 7368 7704 4804 3950 6114 6304 9608 9920 9630 5834 10104 6858 6710 7198 10454 12326 5986 5992 4258 2370 3194 3896 6246 7898 3048 8106 3846 3154 2484 6278 3578 16182 2540 4968 3280 5446 10308 7102 5190 1838 9958 10436 712 8036 5284 10118 4126 6390 8576 6066 5420 7866 4344 5868 2908 11078 9922 4434 4826 11202 5948 6886 6416 12632 5552 12084 12860 9458 8472 15562 7938 6402 4440 4122 5948 8884 9564 7282 10992 8256 6776 10148 8564 12374 7330 8096 8458 7686 4376 7026 2888 6716 8658 6704 7340 4608 9106 6172 4772 9394 11252 3634 5840 5568 5582 2910 6730 15236 8150 6130 4230 4848 4426 8328 7246 14532 9316 21042 8622 9034 9928 12152 3742 6456 5716 11204 9310 10108 12592 6302 6470 5082 Glycocholic acid 1274 2538 4668 4760 1358 1192 0 0 0 0 0 186 0 0 0 0 700 0 0 526 778 0 238 0 458 0 0 974 494 0 754 0 652 744 0 0 0 314 0 374 152 0 342 0 0 78 1890 1474 846 664 1440 102072 0 0 506 718 176 560 0 0 0 0 0 0 0 488 2020 0 458 0 0 348 676 826 0 968 526 490 0 724 0 0 0 524 600 668 0 0 0 620 0 472 508 0 606 0 8048 740 376 0 1092 0 600 0 582 674 0 792 0 1420 0 0 346 0 0 460 988 408 228 784 0 0 0 448 0 512 848 0 378 524 754 518 960 696 0 0 1208 482 518 744 0 0 662 0 640 0 766 506 802 832 0 0 264 580 210 572 0 910 0 0 0 0 392 218 114 13534 2838 11096 2906 1826 6738 20122 2636 20582 0 408 0 2938 520 3026 272 0 3658 15072 0 0 2594 10754 1148 4734 2392 20676 1452 5860 3458 618 7084 3754 6432 4710 1388 0 5306 1046 2970 0 12158 2302 2374 918 8222 4882 1814 20050 3722 11590 8492 1112 4210 806 760 3564 4800 502 2520 936 3230 1950 3000 1948 7474 970 6404 13718 818 908 2250 2420 664 784 3374 3420 4242 4128 2128 1192 3750 3392 21782 6744 1308 1688 360 7972 1912 3184 2360 1056 2914 670 3882 25120 908 1080 538 1154 4562 12390 6356 124246 22538 4418 8960 5406 12628 8072 1828 3568 2394 244 7112 5272 6504 2000 1746 0 6444 3346 5202 850 2776 2626 2042 3712 2318 5790 10582 56876 2870 6490 2606 4864 0 0 3782 6828 4574 2374 6524 1736 2238 8020 9286 6368 19088 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19980 8536 3274 3674 5522 7124 618 4394 2772 1668 12098 448 24942 50420 0 0 0 0 0 0 0 0 0 0 0 568 0 0 0 0 0 0 146 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404 0 12882 15086 11336 10070 8212 10906 3542 13612 18298 8878 27162 0 36180 52196 12150 5080 6580 35326 35152 41884 4324 13728 12494 33242 35756 8480 Isovalerylcarnitine 13378 10202 7534 13004 9518 24476 10134 9418 6320 12408 11248 16826 20546 10542 6246 21248 8672 9788 10300 17120 8726 10638 28914 20834 5198 11258 14206 6100 17552 11790 18628 6502 10006 13502 11478 12580 15718 26536 9504 6244 3832 27898 30960 24956 33742 2428 29010 9990 14262 12776 33038 6362 15956 19868 5244 13570 16626 11270 9590 17624 3736 5214 25218 15456 14156 26562 20408 9906 24456 21328 15976 13750 11466 21108 6870 19608 9912 14882 6858 16956 5974 18262 14076 17890 18150 10628 13266 12284 10072 7682 25054 5036 18882 8652 25422 7532 20042 11932 9830 4898 4792 14392 18070 17538 12308 10228 5360 6958 11404 14672 14958 8770 11606 5404 12188 7242 24708 8556 5484 18454 17474 9030 13440 19496 9456 8308 15480 26646 10030 10822 11012 17770 11572 21914 13582 17216 19520 8576 13390 4758 5166 13450 23482 14076 12198 13806 10860 10858 10554 9042 6614 10286 18290 13536 8800 8058 10588 14390 25280 18696 23768 6356 19748 13726 6268 16802 44096 28778 29128 27866 11484 35252 9004 23364 8190 8302 13944 14326 14854 7990 20258 13924 8204 11014 1060 518 10602 12262 3482 16106 13524 19926 27892 15520 10558 16328 25390 6278 4292 28404 9380 11118 26518 14128 17524 11668 26092 9612 7972 11310 22704 18170 5344 11104 5608 6168 6926 36360 16480 7180 7010 12206 5394 8918 17502 8570 14590 12662 12444 36104 16562 10604 12170 11672 9786 4234 18024 8852 21554 15950 8478 14330 12156 19602 7114 8656 22872 7844 5994 13978 19010 7232 11554 12752 16146 30950 52706 22236 15642 2780 52622 7400 10798 7222 14842 39166 8000 21076 19960 6696 17552 24028 18200 7688 9076 16332 18366 6792 4238 12898 13344 8792 16262 34614 3322 21986 4064 8440 9340 28410 18066 26146 21470 16074 5054 6786 12026 5582 6776 22972 5366 4078 11946 5982 12658 14010 7292 7808 9700 5484 15740 4940 17152 16020 15538 13866 9338 24454 17748 29766 8640 26308 5082 8368 7166 8090 16592 11758 10996 5116 15402 15024 6102 5344 8458 16676 6362 7854 11266 12760 32340 7430 10258 13372 7560 27086 8410 7984 24476 L-Acetylcarnitine 87950 73244 115946 75120 76210 102946 87428 122448 41620 70122 102012 101766 85938 43724 60020 61574 56050 100360 40498 116848 120350 117688 149226 100396 53604 96938 95624 71294 0 97892 85570 50318 71272 74312 82878 105240 101626 196986 104538 68450 64776 111506 60398 124868 60748 47556 114858 69644 151384 96680 127204 104798 88108 83704 203518 170594 157236 116066 65884 55196 56898 123002 150004 89974 124948 133530 91750 169100 134066 157952 108510 185530 125416 63154 90248 111658 87446 86994 164250 83858 99510 96322 79048 117714 97610 80864 148344 76892 78838 100254 142662 54030 87000 39618 94612 128762 113340 61192 97496 59090 39080 159640 91442 85432 78358 100592 53714 100386 108764 128620 122512 159248 126042 107464 181602 189866 147434 95470 110836 175380 350550 72978 104250 183758 81054 127470 132528 88078 84834 119034 68972 163504 80284 73976 65794 127948 241320 83936 80952 128812 144278 148054 185160 87452 113466 59280 79050 101912 92976 116280 127874 80932 88806 99790 122998 47398 45964 67176 115298 85878 152370 37046 87648 74380 34426 88108 98970 234046 143102 155938 66470 190944 102352 133330 128060 257714 72536 80668 128380 92564 70138 138096 79532 76700 9676 3132 90374 50926 57764 43924 57024 67574 105854 37044 71630 183172 100602 60670 36122 89270 131498 82262 80284 100816 103574 119906 102544 61634 56100 98972 158588 108584 68732 54678 45172 110788 112146 108150 120618 74952 74840 53792 46336 73970 117238 62426 70618 127462 107632 66420 47848 58222 88018 85652 54910 34940 67614 48622 62510 58880 58922 50042 76060 47050 79764 90760 105120 75172 76560 83722 105800 45530 103634 88454 71034 69390 58936 72984 53936 9214 94748 79320 108582 41582 66708 62126 113016 94998 219002 75928 99828 143712 98250 48530 99450 56776 78148 63292 80230 100888 55594 62062 87686 64982 34388 232506 76260 82486 82864 99012 105894 103516 141182 189268 31632 30718 57510 37750 40650 124834 54890 41526 117404 72914 83414 71926 40870 61928 104838 49444 77614 40302 88152 78924 57134 81658 123556 83950 134642 100998 120784 162644 39930 44074 70922 105896 48508 63278 36302 29208 96408 177742 92552 43658 69132 98258 48396 106988 63648 85652 99384 66510 87960 122346 29992 86392 70556 70876 78574 L-Alloisoleucine 1906 3362 7492 3130 5310 3358 2496 2940 3972 1342 1928 5040 2434 732 1872 1132 1768 1220 1708 2216 1684 1574 3120 2140 1444 1892 2418 1610 2852 3072 3622 2106 1934 2888 2106 2298 3160 1474 4270 3838 2064 2400 3182 2742 2856 646 2570 4076 2612 3818 5408 1804 2488 3566 4502 2298 2372 3202 2426 2924 2482 1544 1206 1670 1996 3106 1432 4032 3316 2324 2644 1816 1954 2064 2682 3840 1928 3170 1326 2386 3680 3180 3830 5030 2680 2700 1874 3768 1996 2810 3042 5932 1586 728 2950 2184 4450 4614 2396 4302 2008 10416 7062 4254 3056 13830 2220 2462 5628 14254 9946 5746 2372 4838 1844 3678 2940 2248 2826 4764 1462 3808 3894 3166 3182 2438 4730 3134 2462 1792 2446 3178 1880 1782 2274 1830 1544 882 3122 3440 1116 8220 3668 3380 2406 2808 1398 2104 1398 2514 3714 1344 2998 3540 4038 1684 5922 3944 6408 3962 1564 1282 1862 2646 1278 1510 3070 5882 4286 2584 3174 2166 2844 4338 2638 3784 3440 5616 2122 1454 2710 3526 2686 2680 282 192 5178 1552 1668 6586 1584 2634 4488 4828 3946 6674 8536 3168 860 3580 7202 2376 3364 2540 3394 3360 1458 2486 4398 6152 5384 3812 5146 3704 2814 3936 3390 4972 4102 3616 4520 4488 2462 3942 4534 6272 5298 4904 2956 3886 1826 3116 2756 4766 2272 4240 1782 21154 3922 11500 16362 3382 4024 12974 3822 3088 5866 3634 3778 3292 2164 3382 3416 6330 4522 2806 6298 5434 5544 272 4328 4488 2222 3902 3012 4174 4370 3272 3956 2390 2028 3814 3426 2456 4020 4774 2428 2920 3028 3800 3686 2670 3186 5730 1816 3572 3898 1820 5340 5118 5606 6560 5958 3388 4022 3664 3486 2940 4126 2706 2134 5252 5692 4408 2254 4076 4790 1402 4390 2626 4458 4564 2578 4220 4940 7110 6672 4770 27616 4998 2252 4108 1812 4626 3674 5172 5150 3114 4324 4636 4390 7330 4234 4632 4088 3610 0 5508 3358 3386 5024 6834 2722 5034 2858 3776 2618 2332 2330 L-Aspartyl-L-phenylalanine 15322 5666 2626 40034 0 3298 4448 9574 8326 2776 4182 3016 13056 5020 7836 1874 5274 10268 3704 2942 3440 3768 39288 3654 1624 838 5742 4740 7054 6132 6976 8816 5598 11462 10254 2834 2982 3942 10362 6000 3138 10872 4292 9454 15872 3192 6554 7246 3304 2380 8018 5088 12426 21756 7992 26306 9604 1888 5938 7920 1980 3490 5916 2630 7138 5820 1636 4244 8808 10202 5754 7662 5020 4452 11196 13742 10246 8092 3400 13294 5782 2556 4174 8180 1416 5426 8136 1888 2788 6252 4488 1548 4326 11898 3092 3946 7830 3618 4344 2946 3196 12160 2918 19044 11256 20560 5242 5058 2418 7560 9980 2630 1002 3950 2100 2758 9614 5006 2566 6810 6946 8154 6410 5162 3668 3816 3726 18708 10230 9428 3858 6884 5468 5790 2684 3746 12998 4996 3648 3346 1662 9504 15162 6754 7730 3764 3768 4134 1814 3416 3294 2484 1624 8912 2154 2468 12616 2660 8244 6770 5092 3948 4502 15862 3614 1994 11110 8264 3616 6362 2372 7314 5148 13300 22902 11666 10298 6030 5196 9344 5342 24976 1280 12632 1496 0 2286 1236 1222 13900 10320 7872 6094 6476 6508 3024 5258 6616 2066 4592 5558 5956 3582 6274 6846 10020 7886 3434 8482 7882 4760 14064 8448 11306 3202 4586 1200 4682 4100 2882 2794 5004 2684 4808 10370 2708 4044 2200 4708 4132 8674 3314 4850 2896 2810 1888 10802 6076 6174 7130 6318 6516 5134 6002 2202 1552 2864 2948 1792 6544 6260 4794 4806 9396 7314 5304 9724 10634 5144 680 8404 6070 2790 6304 12414 14018 4568 3864 11106 4244 4454 11998 6048 1532 1432 1610 3286 5520 3612 1342 5360 1138 14394 9468 2742 2932 6320 2564 4354 5386 3322 2474 5756 2986 1660 3800 1972 2946 3432 9516 4278 0 2674 4272 6338 2818 1630 1166 2534 3072 2960 1534 1040 6880 4210 8034 4634 6802 14350 5286 3578 6934 2004 1028 2428 5652 692 3854 9936 2202 8018 8674 3596 1352 2342 4488 4206 15566 2522 1630 15300 1896 4708 2902 3970 2758 6176 5486 0 L-Carnitine 9080 8312 13758 12068 11092 11126 18184 26962 16298 11872 14588 12920 5834 11498 10174 8362 15412 17542 12358 19814 15462 14678 19200 14194 14666 11966 13396 7714 15656 15866 13780 9554 13962 15506 12218 15042 12294 10280 9574 9292 11876 10974 14378 9514 14304 6816 22818 13972 17404 20408 16570 7332 9032 18668 10944 11304 18970 11552 14000 12654 11174 16366 8748 11880 11490 10742 11286 9942 15514 19470 7370 14580 13526 10604 11566 11744 8970 8952 18844 11100 12288 10600 11096 12450 14884 13528 5760 17360 21538 11286 15836 11166 15720 8418 13698 13984 18414 17074 10878 10176 8640 8862 6654 14004 13870 10078 10056 13696 16512 15638 14008 12916 14516 14258 18696 11808 18850 17454 9430 15206 20936 13164 15222 17028 14452 11192 8344 12214 13776 15362 9754 16716 11794 12478 14228 13090 7728 10446 13566 14032 14908 13508 12850 15992 13350 11900 14320 18448 12744 14336 14768 12400 12846 9680 10106 6718 9692 15514 12858 12410 17822 9826 16980 12474 7378 10490 18338 14380 15230 20346 15956 17146 9188 13536 10816 18718 12532 16442 10936 6942 12564 14672 12182 8502 0 3226 17272 11330 8564 8670 11900 14370 19988 10324 12376 18174 12898 10212 4972 10446 13784 13398 12786 17654 12020 12658 12660 12700 9550 13036 17526 11618 10764 11770 10352 12294 17204 18530 14692 11686 10194 8122 8074 12362 12240 8816 9296 11244 9326 14288 10684 12942 20162 9556 9166 7718 10942 13670 12442 13474 17692 5132 14120 2238 13930 14356 10502 11906 7240 14154 11226 6652 14764 18012 6526 12210 10342 14294 12786 6100 12510 11390 11528 8622 10514 13384 13218 13796 13292 12486 14294 14926 10812 8438 13526 12034 14356 7462 9052 15522 6376 12146 13234 10792 3712 11446 9238 6770 9168 15518 15184 22292 13810 19990 5000 4478 8022 8324 5088 20648 7972 6466 16244 8358 16640 13366 4404 9168 11446 7730 10298 4796 14152 6840 7894 11682 14264 12002 5064 9144 12760 10148 14520 7408 5890 21656 4894 11170 10264 13232 11130 12468 10668 5972 5278 14394 8434 11538 6496 11020 10530 9352 14468 14438 5082 13606 18926 11422 9410 L-Dopa 1162 550 732 1326 1034 916 2538 2612 2068 3436 3168 2666 2512 3590 3020 2642 4104 3572 2398 3500 3758 3028 1806 4362 4308 3288 3574 4398 2500 5106 4144 3420 2750 3030 3072 3302 3778 2054 3452 3756 2552 3190 2884 4208 2820 2466 2950 1794 2608 1782 2314 2082 4104 3116 3340 3214 2358 2918 3142 1730 3342 2838 2400 2608 3068 2674 4074 2754 3436 5466 3926 2880 3946 3270 4678 3182 2582 3136 1912 2978 2156 2872 3320 2842 3560 2760 1244 3126 3022 2644 2170 2070 2732 3520 3168 4520 2620 1078 2694 1888 2154 698 2520 976 700 1078 2842 2552 1102 618 628 3224 1630 1926 1942 3732 2528 4450 4408 2268 1142 1430 5168 2810 2442 3242 3400 4120 3386 3414 3340 1862 1918 2680 3168 1712 1256 3194 3452 2784 2998 1632 2574 3630 2448 1688 2262 3662 2688 2484 2458 2656 1450 3584 1236 2294 1296 2204 3840 2328 2282 1740 4388 2558 2184 642 1512 824 880 998 1176 672 1962 1020 2992 2382 2826 472 3196 894 4468 572 658 660 0 0 490 488 348 862 784 742 350 674 762 466 566 748 430 1162 512 504 646 740 768 3248 646 476 662 702 560 642 628 378 664 966 856 2034 756 988 992 1126 1172 3076 852 968 796 660 578 906 1032 732 1280 792 776 806 486 754 600 358 192 456 552 0 372 658 732 790 956 582 746 448 2836 998 696 656 1378 656 512 0 806 590 3792 792 594 292 578 744 1334 1032 822 1232 1150 1580 918 1452 948 1074 828 962 1272 1520 1108 652 730 1552 1436 1014 1352 928 724 822 670 1742 1364 822 1006 978 1074 1186 1386 1020 1300 816 1058 930 882 866 1090 498 794 1022 738 798 966 834 706 322 712 568 894 444 1552 938 872 870 884 834 476 212 872 684 1508 942 1166 834 970 1000 1558 1656 626 1338 930 1074 1488 1122 1286 1198 1380 L-Glutamine 1826 1856 1872 1582 1522 1092 198 1698 2420 1484 1478 1158 1710 2440 1370 2084 1844 1164 1990 2414 1518 1880 884 2190 1586 1538 3002 3708 1522 2200 1968 1484 1286 2972 2868 1166 2090 2824 3054 1570 1038 1480 1980 2452 1964 1600 2064 1090 2370 1846 1942 2566 1616 2146 3284 2106 2998 1476 1764 1140 1548 1842 1682 1346 2010 2360 1410 2268 3492 3090 5788 2898 2974 1952 2328 1280 1746 2152 1796 2356 2258 2842 1642 2824 1710 3278 3990 2330 3470 1878 2076 3178 3522 3302 2308 2778 2428 2178 2302 1588 1282 1982 1340 986 982 2606 1534 1304 2658 612 1036 2434 1378 958 1244 2008 1950 1306 2236 1074 1176 1462 1528 1844 1766 2090 1864 2730 1396 2324 1174 2938 1392 1888 1572 1610 892 1298 1466 1368 1926 1490 1124 1388 1882 1424 1956 1140 1608 1256 1024 2902 2522 4488 1230 2108 1908 1802 3264 1244 1268 1986 1816 1604 2854 1792 1704 714 1410 974 1198 1870 1670 0 1100 618 538 962 2422 966 1128 1002 552 1380 180 0 1096 1984 366 1266 1578 778 1538 1084 744 720 950 650 354 1872 666 1928 760 900 612 1604 572 1240 2302 782 1326 998 928 456 752 1024 584 1270 1048 1156 322 0 1178 1026 1372 918 758 1392 1124 2140 1488 1096 1248 1994 1022 2032 846 910 502 558 1042 810 1594 850 1436 1144 796 1272 1588 1292 470 1370 1696 824 1232 1540 1214 922 888 0 1018 1040 3128 2032 1120 432 882 1254 1720 976 1782 1080 1396 1542 2126 824 1684 1658 808 966 1924 1706 1272 1872 1586 1158 2262 1876 1976 984 858 2518 632 1644 1390 2502 1596 1386 2206 1814 2684 2032 2202 2328 1670 1490 772 2514 902 1252 1362 1008 2000 1680 2042 2906 1628 968 840 1042 2772 1300 2858 1912 1522 1758 874 2028 806 540 1362 1582 2924 1936 994 532 1916 874 1502 1054 1714 1254 2104 2442 1822 1914 2136 1342 1386 L-Kynurenine 33450 2850 2590 4428 2134 5160 742 1044 1576 1666 808 168 1462 1030 440 442 740 478 370 754 466 628 0 798 1424 332 546 1176 2592 1572 1100 618 628 616 1384 0 622 2450 420 824 318 646 642 926 678 510 472 0 528 0 680 0 538 644 1176 882 758 1136 0 238 382 420 0 0 620 306 276 0 730 708 1610 748 426 0 944 824 844 730 564 568 0 1298 490 646 724 896 0 276 1610 0 774 636 886 1054 772 1324 18764 504 218 454 658 366 0 140 488 180 772 690 848 636 584 976 488 0 1002 0 334 666 724 622 5946 0 1138 328 614 0 0 858 0 804 0 354 0 588 242 426 342 588 744 664 426 688 0 730 292 548 270 582 482 504 598 138 0 198 422 662 0 548 846 286 570 330 348 502 720 4742 4198 8308 2620 11114 4200 12672 6336 8308 824 1116 734 4548 1858 6092 860 1390 2726 7490 0 0 4810 6904 2012 5990 3964 5368 4844 4476 4310 52580 5388 4424 1564 4798 3904 14180 5126 4908 6290 0 14480 5394 7300 5052 30950 8136 3800 7770 5088 5744 4136 5520 2542 3886 3618 4582 1274 716 4004 4920 2910 9736 4692 7128 3608 0 6004 28392 4664 2324 4248 4694 6084 4010 4644 14708 8022 28688 6044 3274 2996 2526 4662 4122 9636 10504 808 5126 6096 4188 8030 4276 6370 0 4488 4848 3944 3746 3600 3398 2156 5228 5996 2682 5144 8638 5878 5598 3980 2500 2936 5676 6886 5296 1442 4238 11946 6024 4130 8926 806 1782 7024 6360 4138 1806 6690 4880 2236 32456 1848 2022 4460 3688 3596 2276 5642 5098 4048 5090 4370 8414 2308 1252 3764 4174 4076 1916 7162 4038 4028 4862 35020 14818 7518 14008 2084 3512 5098 3948 5266 3774 5802 4200 4058 7524 1650 2730 6044 7036 3000 6434 4674 6140 10182 1084 2494 7546 2806 3008 1604 5254 4988 L-Leucine 3954 3400 3718 3286 1150 2024 5554 4578 3456 3670 3196 1400 3608 2338 2534 2282 2540 3024 3250 3984 3472 4214 2774 1734 3746 3234 4340 4026 5826 2992 4428 1474 2554 4962 2916 4046 3442 2242 3604 2346 1766 6878 2624 6494 2614 1396 5102 2448 2220 3090 5802 4026 4288 2908 3780 3402 4748 2916 3288 2344 2138 1930 3912 2254 3284 2112 2920 3172 2122 2218 1624 2074 3650 2526 2518 2516 2836 3392 3576 2750 4144 3448 3560 2854 2302 3934 3590 1822 2868 3708 2986 2790 3146 2354 2902 4638 5596 4834 1882 3264 1428 5662 2152 3358 3938 11932 2160 2146 2654 5466 6266 2850 2258 2842 8044 1682 3492 1010 5280 950 3536 1982 2072 2492 2284 1498 1972 2404 1618 4180 1078 1428 1538 2326 1444 2094 5100 2314 2910 1898 3730 2330 2638 2550 3374 1914 3148 2876 2258 3014 1944 3972 4356 3742 2470 2846 1742 2258 6076 1732 3344 2924 5964 3658 3190 2630 3288 2664 2232 1742 3308 2118 2776 3468 1618 1866 3012 2578 3968 2392 1892 2180 1640 2426 400 0 2144 1828 1350 1744 1584 2424 3712 2146 1720 2872 2268 2058 1248 2380 2462 1358 2048 1978 2192 1948 3004 1206 2298 1732 3978 3590 2562 2042 1976 3108 2106 2870 2888 3708 2046 1728 2108 2606 4380 1926 2876 3958 2790 3776 2868 1886 2934 1990 1836 4264 5130 6876 3920 4634 4892 4222 3760 7724 2756 3390 2902 3478 2442 3122 2320 1898 2848 2288 2534 2026 2372 2250 3258 480 2706 1592 1834 1798 2976 3688 2370 1918 2242 1268 3960 3314 3746 1758 3608 3962 3040 2294 2532 4610 1404 3506 4532 4280 3206 3506 2804 1844 2040 3054 3036 4202 3202 2248 2970 3484 3476 2148 1784 3340 4214 1456 2168 3038 3022 2312 2024 2036 4954 2384 2174 2090 3672 2964 3026 4326 6122 4240 5660 3920 3328 3462 4346 2024 1486 1678 2394 3500 1638 914 1940 1538 1968 5046 1132 1942 4034 1472 2562 2744 5900 2616 3000 4244 3034 2970 2442 2870 4196 L-Methionine 1784 1986 1966 1550 0 3112 4644 0 6040 4358 8608 5652 9940 5348 5072 9784 10506 0 0 5440 0 10250 0 0 4574 5790 8926 0 0 14368 0 8396 0 0 12472 8804 7454 7120 6814 6910 7564 0 10254 12090 0 0 0 0 3358 0 1614 2462 4700 0 0 3092 3022 1192 4346 2346 0 3328 3298 3316 2726 0 1894 2652 3442 4408 2262 3194 5554 6352 0 7770 0 9442 3114 6282 4524 9476 0 3416 0 0 7162 4770 4258 6392 0 0 6996 7088 8698 0 14830 13526 4796 7608 3448 7290 5752 8668 0 19978 4344 6756 3716 11918 7238 0 5886 4048 3738 4456 10700 4916 4106 6344 5790 7284 7352 2912 0 3842 3990 11354 4840 0 7222 4902 7076 5844 2956 0 3674 4796 0 4764 1850 8794 0 1738 3088 2422 1454 1790 2236 3576 2960 8258 7896 6580 0 3850 3482 6146 5046 5192 5380 3258 4754 2786 3134 5052 7234 8444 8196 0 0 0 4648 4582 4498 3790 2418 5544 2034 1872 4162 1920 3774 5488 0 0 2076 2704 0 1900 2248 2756 2890 1554 1836 2982 3410 2104 0 2726 0 2066 2242 1590 6324 1780 2106 3670 1686 3818 3612 0 1548 1408 1670 1668 1826 5402 1490 3884 2110 2174 1640 1452 1270 1942 3034 2774 2166 1488 2820 2076 5586 2574 2542 2692 3232 3638 3236 3324 3246 2460 2756 4476 1670 4150 0 3250 5188 1214 3100 2634 0 4028 3080 4136 17710 2946 2488 0 3358 2250 2010 2532 3338 2444 2364 3074 5900 6906 7190 8722 0 1544 1926 2638 0 1510 3160 1898 3062 1594 3446 1850 2038 3310 3694 1506 1582 2650 1978 4504 3292 0 0 2086 240 1990 1624 2790 2244 2520 2556 2892 4224 2592 2356 2578 3122 2008 1124 3830 2056 2834 3086 4246 2960 5368 1994 2368 2318 2738 3158 2094 2026 2592 1956 3936 1806 0 5466 3840 2182 3222 4258 1538 3068 1832 3436 1798 3326 2156 1632 4056 3308 3046 3530 3288 3224 L-Norleucine 13386 9346 11392 14322 6096 8648 19848 13180 4974 11648 9852 5056 9890 7250 9244 9762 7774 9526 11430 10848 9154 13752 8932 9454 8952 8516 11598 10672 16214 8154 16016 5106 9392 11858 8486 11280 10734 2980 9940 7708 5150 10462 9920 16964 7700 2536 15904 7768 6948 11756 21908 9406 16172 12766 11752 10060 16256 8530 9854 10044 3438 5658 10924 7494 8884 8564 8626 11062 6926 7050 6640 7114 8450 9618 9972 8312 8574 13112 11638 9522 15652 11524 11782 10930 9060 13388 9254 9558 8512 13690 11988 10706 11198 6846 11138 16184 19786 11802 8062 10930 6090 10816 7508 14636 13432 11558 8234 9566 13082 7028 13490 10086 8338 7236 20114 5234 17760 6850 13582 7604 4590 10996 9646 11832 13526 7348 10038 10822 9454 11910 7200 8428 10832 11732 7598 9312 9648 11156 13240 7922 11010 12546 13890 14730 11006 10662 12230 13506 12610 15340 9656 15234 17088 14654 10218 13378 10208 7552 11522 11844 11450 12456 10986 12364 9618 13438 9974 11556 9440 10888 15038 7534 12256 14080 5144 5996 17482 11680 10522 9302 11648 7076 7190 10272 1034 0 8572 9446 2998 8410 7214 10242 13284 10364 7124 7544 8456 9048 2402 13088 8088 6588 8640 11326 6884 8444 7044 6802 11386 11120 15220 15766 9844 8534 8640 12314 9086 11480 12360 12250 7228 7660 7614 10638 13922 8840 10250 13470 7774 11904 9200 5660 10888 8380 7550 13400 12472 5444 13068 7816 6058 11104 10570 8882 6698 8314 9726 5560 11378 9644 6772 5456 11060 11256 8006 9242 8566 9762 8786 1386 10384 6896 6580 9688 14326 10642 8250 8410 12478 6958 19828 12056 15468 6008 10624 9336 10538 6496 10534 15060 5870 11512 13386 15252 9166 11658 10724 5710 7322 11672 11162 12548 13144 10392 8684 9492 10458 9732 8292 13892 14526 7510 9172 8516 10788 7584 8558 7792 15222 8512 10322 7286 12178 11480 11256 11270 15576 14814 9894 13994 10928 14202 12118 7348 5680 7282 9136 12338 7646 4020 9594 5634 9898 15210 7492 9232 17648 4812 8822 10310 16982 10296 11412 15178 11280 11284 9526 12386 16650 L-Phenylalanine 4196 4048 5774 5772 3496 7540 3928 7346 1468 6836 4092 6674 7662 1544 5590 2166 6074 3778 2368 4746 5250 4046 11224 6606 3760 1846 4498 3946 3082 6732 4374 6380 7964 4904 4696 6318 2938 6828 14498 9470 5174 1110 3974 5448 4508 2642 8958 3378 6254 2982 3166 1778 12276 7224 10500 6008 6138 11126 3050 4726 1866 4220 5396 4142 11236 4872 3266 5456 5016 7856 3078 7076 0 4366 8606 11336 5854 8766 3114 7668 8604 3598 5048 10852 1546 8080 2182 4374 3596 3172 6392 7596 6944 7326 8248 8072 6830 2534 6330 3974 5802 4900 5852 5022 7144 13764 4472 3956 6298 8428 8992 9158 8154 12652 5392 10568 7386 4590 2936 9614 2270 10136 6342 11060 8530 6858 6538 6870 4896 5244 3526 13372 2978 6742 3140 2794 8314 6660 3248 7184 2718 3502 4574 8110 2320 6966 5782 3686 2690 2992 4464 4552 9268 7980 11590 5502 6628 8740 2728 8178 1776 3694 2974 3380 1472 4538 6918 10504 5768 8682 3942 6472 10394 9592 9418 6522 6234 6392 4804 7456 6444 17276 4256 5370 730 290 7056 3752 934 9612 8752 6064 8048 7110 9034 3346 9858 4450 1894 6826 8938 15088 5732 9116 7770 7052 3654 7884 15962 10028 7494 23514 4300 17188 4730 6642 7466 7552 9742 4032 5848 1070 8314 12370 10102 4336 6436 4004 4366 6896 4194 6856 4550 3492 4526 10196 2172 9906 9888 3518 9142 8632 6080 2696 6080 3714 12198 2474 2614 2746 4682 3080 2766 5632 6898 5442 9846 6212 13882 488 9548 4156 5534 7276 8040 3314 6094 2530 4364 2974 4448 3322 3138 3544 4134 4368 3038 2990 2370 5768 2746 1188 8586 8846 5214 6234 8788 2650 4588 6352 4348 7214 7508 7238 4362 14962 5290 12482 8268 10206 5662 4392 9044 5292 6580 3248 8622 2022 7210 9658 5298 6908 2814 12200 3338 5304 7630 6304 1574 3022 3452 3460 3910 6004 3456 4726 5720 4250 5736 3730 9730 3012 5692 3102 4178 5062 7018 14628 2910 2316 4476 5262 7978 4432 2770 5206 7072 5364 2892 L-Tryptophan 107646 126522 122770 152360 115850 147688 152008 138560 162146 144072 142086 111998 129750 84168 144916 93956 123340 163054 104122 138666 122496 150598 153200 104348 129230 126438 130876 151674 146290 146134 148680 110052 138002 102040 121362 117508 120680 84908 97998 115720 96154 101650 168936 144270 112850 42548 137744 103642 105798 154330 115006 52570 141006 132972 114944 111982 110260 67280 107500 115176 93982 129136 101426 119214 105104 132714 112768 100812 112768 108176 102170 123922 136542 106670 147162 101980 112568 111058 109788 155090 106168 128426 120446 113276 133192 141390 66362 148906 108634 136438 119300 88284 126754 103242 102668 93764 222086 165968 103394 112672 109762 172400 126974 118078 154360 175380 110136 120912 122322 192494 113252 84188 128066 111060 143060 105964 180432 145836 103678 140572 69616 112544 160024 138960 124436 115962 115310 191614 132658 146040 125652 155606 126776 126860 137210 121558 68278 121864 149576 77798 131140 103998 122266 139120 72788 130290 137872 133766 150040 123516 111614 137946 135376 129436 104580 122780 119956 130724 108742 153614 130212 91800 142050 150366 81718 160308 154016 125366 163738 195712 122166 175364 118894 143844 117382 111418 117090 133460 124336 148090 147742 64910 106660 95450 11914 2076 99730 113668 57412 130622 149004 155436 155036 139800 135922 86252 156570 144536 39520 157452 95138 130128 139620 154684 150348 113166 93064 133826 146466 166658 130876 139376 96868 149366 123860 129966 120554 151354 119852 133582 98928 91240 82258 126624 136032 140730 95514 124928 106844 126184 117826 102882 135198 92100 122458 146350 97878 167744 139684 137496 134836 115812 116586 152366 130038 160966 122814 148356 145122 135228 139778 121124 126784 134236 114938 134190 143976 140360 115054 24794 161706 132942 118192 128126 143920 134026 124412 127004 134052 127016 216312 154210 132530 118028 154028 115112 104882 110688 125526 138392 133954 132238 173872 137546 93648 139738 102482 84276 127786 146714 167192 140212 78582 143326 79148 59662 95066 106230 133732 140254 114536 104448 105378 126950 164084 132006 69088 169090 126100 91960 91048 70160 165014 112526 125280 170486 124784 166544 86306 126628 123626 124762 100760 80974 107092 109940 112074 161820 110482 112968 179924 87624 128900 88862 95726 124766 140718 87136 149512 103560 152284 131848 147774 147808 131502 147266 115394 138168 151568 L-Valine 8858 8720 9390 9586 4114 6694 13030 10684 6432 10344 6698 2748 6456 5870 5300 6270 5666 7196 5838 8444 6282 9258 4818 4672 5972 6108 8334 10890 12782 5722 10602 2846 4892 7348 5866 10256 7008 2848 5576 4850 5098 7328 6512 11344 7872 2018 9364 4722 0 7776 12466 6566 9080 8812 9816 8326 12334 6980 8572 6700 3792 4184 8474 5272 5100 5548 7260 8586 5346 4764 4788 4428 8542 6510 6806 7042 7538 9418 8394 6592 10698 8238 9808 7602 7656 9658 6686 8566 8214 10446 8652 7606 11358 4306 11064 12434 14270 9320 5530 8404 4608 6592 5688 9034 10352 6256 5600 7080 9000 3736 8654 7878 7198 6320 14826 3794 13152 3900 9542 4176 4228 6440 8266 7008 8522 4588 6490 9236 5708 8068 4282 5252 7428 8020 5906 6110 6702 7282 8272 6090 7954 8314 6412 10498 6002 7330 7556 9256 7842 11024 7298 9554 10844 10392 8012 9400 8472 5680 6688 7104 8822 9238 7990 7978 5622 11414 10386 7866 6598 6620 11844 6658 10052 7736 4114 4408 11220 8464 6942 9900 7268 3920 5160 8200 0 0 4620 5816 2036 6042 6650 9272 12730 7334 6368 5690 7630 10322 2224 10464 6754 4190 8638 10278 5736 4968 6200 5234 7144 8130 11202 11116 6954 5966 8876 9012 5764 8848 9572 10496 7486 7304 6150 8000 13228 5526 8204 14494 8110 11592 7962 3486 7748 6026 6082 11698 10060 1644 9974 5054 4556 7526 8536 6584 5420 5762 10396 4906 8550 6840 5960 4306 10202 9682 6578 6552 7484 6490 8448 0 6520 4250 4936 4528 9366 8168 7428 4956 7882 5296 13784 10108 12330 4712 8526 8172 8134 5314 7146 9210 4090 9742 7816 11746 5804 8852 6866 4424 6650 7478 9540 11308 9884 5954 6878 7096 7824 5676 8450 14808 9922 4946 6508 10188 9978 6714 6186 5660 11988 7436 9730 5240 8322 9130 9594 10074 16098 10080 7328 9304 8720 11180 9158 4644 3378 5360 5680 10294 6184 2668 6800 3390 9680 9676 4012 6348 11568 3506 5026 7400 9326 7984 10414 11152 9966 8164 6140 8390 11204 Levoglucosan 728 6728 1514 1184 1494 1010 698 596 484 878 534 1060 1480 2342 1004 680 1034 794 932 1544 950 1292 852 590 382 524 788 3056 642 956 1104 988 922 1586 944 1088 1740 1028 1762 5668 1104 690 932 2528 3160 2866 758 1266 1120 558 1216 2458 1850 1058 3506 1918 1152 784 798 750 838 1030 3884 1054 1276 1986 806 2730 2600 1402 3406 1090 1472 858 1428 1050 2088 1946 806 1420 1354 1020 1858 1868 1334 1336 1224 1804 826 3952 1554 918 1416 1422 1134 1410 2514 1562 1254 1808 1148 1858 1672 968 2448 3524 1206 964 982 1240 2160 1430 1132 1134 532 1098 1224 968 768 738 2326 1130 1072 932 960 1146 5824 994 948 494 1050 842 1028 876 930 852 3154 1866 1708 846 732 1304 2442 784 802 874 1038 806 1162 1058 734 910 800 1118 2156 1320 6672 952 762 884 0 574 542 478 456 1136 1550 5652 1476 1422 908 894 920 1186 612 1232 974 2390 3906 920 752 624 900 980 1460 1310 1258 1420 1920 6300 1052 1252 1514 1142 2768 1322 1192 1598 1970 3578 1506 1406 994 2514 7348 1912 1080 1104 2444 1386 1508 1520 914 1516 1578 1392 1168 1336 1626 1034 878 1006 1378 1170 5874 1384 3178 1314 3176 1354 1426 1486 638 1322 1226 1134 864 1062 1932 1578 1162 950 3580 1068 1038 1728 2398 1034 446 1670 1992 884 1180 2066 3832 1046 3368 914 1170 3300 7740 1706 948 1136 3942 1398 970 1016 12148 926 1068 1706 1036 588 1440 952 950 542 1062 560 994 722 800 1046 912 3818 1742 1470 1612 1246 1124 1502 1852 1388 874 982 1270 1582 1066 1844 968 1588 1132 1568 1872 1194 1042 1060 1346 1214 930 1168 1370 1214 2742 822 1696 2572 4758 1758 1868 2046 1180 862 1004 936 972 948 862 1158 1498 1098 990 1298 630 1438 1112 1538 1360 1058 686 870 1480 716 744 822 992 740 3982 Levulinic acid 2170 1658 1406 2006 1954 1922 1888 1742 1448 1362 1608 1050 2132 940 2030 1624 1390 1608 1222 1394 1470 2078 1808 916 1230 1640 1788 1344 1516 1894 1334 1318 1492 1262 884 1164 1710 1570 1394 1726 1512 1330 1432 1342 1336 712 1752 1200 1006 1996 1508 1022 1648 1656 1026 1326 1282 1104 1426 1476 1116 1240 1546 1478 1742 1738 1214 1228 1556 1844 1538 1832 1670 1588 1744 1926 1328 1210 1672 1546 1664 1040 1380 1210 950 1562 1136 1232 1750 1506 1608 1240 1496 1326 1192 1798 1982 1566 1318 1332 1962 1704 1262 2350 1356 2188 1364 1792 1386 2152 2018 1450 1604 1312 1688 1388 1892 1556 1136 1534 1320 1790 1396 1394 1928 1210 1486 1306 1164 1670 1252 1498 1688 1460 1288 1164 1940 1256 1204 1572 1098 1500 1234 1602 2098 1736 1814 1750 1648 1346 1160 1202 1780 1198 1266 1508 1376 1500 1636 1502 1174 1114 1216 1712 1022 1404 2050 1862 1868 2260 1802 2008 2446 1732 1596 1622 1660 1606 2018 1604 1260 2018 1370 1746 0 0 1166 1682 790 1698 2004 1850 2138 1744 2092 1560 1444 1642 588 1776 1408 1722 1944 2354 1844 1490 1402 1540 1664 1328 1592 2000 1208 1724 1352 1746 1914 1452 1270 1696 1720 1866 1526 1492 1714 1540 1530 1932 1518 1804 1514 1566 1838 1688 1524 1516 1540 2442 1208 1796 2190 1662 1496 3080 2256 1692 1732 2096 2110 2176 2282 1736 1444 2290 2282 1640 2126 2150 1488 0 2002 1168 1584 1594 1638 1630 1184 1660 1404 1702 1606 2188 1618 1974 1738 1258 1710 1616 3056 1908 1714 1354 2704 2208 1652 1746 1978 1864 2190 1786 1350 1918 1440 1408 1522 2118 1526 1324 1714 2594 1664 1674 1658 2188 1934 1306 2054 1742 1280 1646 1518 1556 1360 1572 1684 1768 1974 2694 2142 1734 2068 1674 1572 2300 1632 1454 1498 1738 1926 1168 2252 1880 1714 1364 1856 1506 1698 2270 1874 1176 1774 1272 1988 2114 2546 2026 1474 1938 1916 m-Coumaric acid 11166 11744 15758 21550 14146 16288 19142 18768 18956 19422 17392 16012 18970 0 17390 1652 19110 0 0 18854 0 0 0 0 12984 18244 0 0 0 2616 0 4234 0 0 0 0 2032 0 0 2884 2286 0 114 0 0 0 140 0 0 0 13226 12528 12826 0 0 0 0 9008 1458 11886 0 0 0 0 0 0 1106 344 3894 3520 18094 0 2506 0 0 0 0 0 1576 0 0 0 0 0 0 0 0 0 0 1118 0 0 0 3420 2068 0 13226 0 3852 2948 2560 4538 0 1186 0 336 4724 6106 3244 0 214 0 0 3864 1632 0 204 286 0 2078 2872 4942 0 0 0 18920 2842 1384 0 0 0 4536 0 2544 14892 0 3528 1826 0 0 19848 0 0 17552 12926 14004 10868 13934 0 0 0 0 0 0 176 12100 0 2386 1450 4474 0 11682 12568 13286 9980 0 2236 0 336 0 0 0 0 0 0 0 4004 20294 16332 14872 17402 15468 1378 1766 0 0 12414 11048 0 14382 19166 15152 22916 18986 15566 24328 19292 22746 0 25484 13678 14360 17570 21084 178 17072 22032 0 17150 1580 5446 18286 11758 22316 12626 18286 0 0 15196 20374 13422 15676 11226 19164 20652 15324 14450 19868 0 12768 14610 15894 20334 15980 10828 15634 15584 26110 17306 28352 25326 13962 22970 24278 20302 25974 0 20092 2458 17060 14798 16438 19276 16088 17448 15122 0 20858 14168 0 0 13902 13118 18172 13862 14326 17296 0 0 0 0 1878 16104 16108 18142 17358 18860 11254 0 17862 2436 18936 17694 24488 11814 3874 0 0 15844 20530 23356 6846 3012 0 11554 16052 14374 15450 12190 20120 14264 13766 18240 0 0 14950 13584 12168 18216 10724 10952 15778 15612 15552 14396 25308 17306 24720 20952 17254 25940 25984 18734 13426 0 2614 13012 19724 15986 8878 9138 0 16768 13370 0 15660 19776 13802 2894 16252 18330 18728 21532 18820 16692 19792 0 16606 16484 Methylmalonic acid 3848 1014 1782 3804 2996 6370 6068 6134 6942 5948 8452 5872 6398 4860 6418 5650 6608 1010 258 6214 518 8254 0 0 5594 5916 6438 0 588 8096 634 3714 880 0 2344 0 3738 0 0 4324 2732 0 0 5156 0 2328 0 800 0 0 1562 2518 2656 0 890 3226 3210 3186 4732 3858 568 0 2328 1896 2026 1062 1244 0 1310 1604 902 1438 798 0 0 1302 1404 842 1452 1118 1818 1046 0 1334 468 948 1138 2110 1882 744 968 814 1244 1492 1964 726 2642 1648 978 2028 896 988 1842 776 1248 642 846 1562 1494 1168 1742 0 1954 1398 6898 4612 5938 5458 5614 4732 5362 5034 6156 964 1262 4454 4376 3866 3276 0 5062 4712 0 4412 4550 1314 4904 5364 1422 5074 5670 1124 0 4360 4056 4362 4460 5246 4462 1464 5212 0 5834 0 0 4166 5544 4742 4664 6624 0 5054 3770 4428 4196 7488 8038 8136 9406 0 590 0 0 0 0 968 6054 8228 6738 6330 6084 7516 7054 7544 0 0 3764 2836 0 2786 3236 2812 4910 3324 3566 4336 4788 4158 2206 3294 3028 1920 2170 1534 1232 1782 880 1394 1688 1692 1528 1428 1230 1502 1154 2018 1320 0 1520 1266 1550 738 984 1428 796 4612 1604 2286 0 1054 1086 1396 8000 1386 1698 2132 1260 958 848 2138 1150 1562 1762 820 744 1328 568 2274 11102 3308 3238 3272 3876 4430 3662 4532 9938 4840 3492 0 0 3848 7620 2178 3660 4468 5320 9282 0 9080 7330 7848 6774 7138 5030 5284 7170 5684 0 6948 6746 6674 7776 5888 1114 2490 1760 2090 1928 1340 1274 1538 2560 0 1166 1156 1130 1150 1052 1760 728 1242 1650 0 0 1264 840 2470 1888 1768 1318 1440 1746 1230 956 868 1838 1168 988 1564 1242 2616 1904 2860 7586 6268 4094 3698 4014 3204 6524 5416 3954 5182 0 3766 4876 2532 8572 4638 4978 5616 6638 7452 5828 6042 5658 5048 7752 Metoprolol 1376 1780 1312 1734 1410 1300 958 846 704 730 1396 1028 1112 774 1390 1120 794 726 1346 1102 810 1338 1536 1036 1362 1172 1126 882 1266 1268 966 1480 602 896 876 1120 1020 1278 564 776 1396 944 1166 1408 836 1318 1034 776 1402 1122 1060 1092 1304 882 888 1026 958 1098 646 1070 1080 1442 1092 1096 996 606 768 1340 1024 1436 874 710 632 666 958 1074 1066 1212 1072 1020 1224 1368 754 1254 974 862 1104 1042 1086 1120 1270 746 802 620 1002 742 630 912 738 1006 1434 1240 770 1040 594 1158 866 1074 1276 502 714 1054 1046 1190 1812 1118 678 1038 1298 930 714 838 1032 1350 920 836 1096 1112 872 746 894 852 1000 1038 682 1130 1112 926 1126 1194 1298 1050 1236 962 744 850 922 668 1052 1092 946 700 1164 854 1526 1184 1086 760 1042 764 1108 1000 814 886 854 738 2164 1920 1990 2042 2248 1814 4860 1374 826 1036 716 910 2906 1124 646 1098 836 1290 0 0 434 970 346 1612 864 828 1160 498 1284 1908 846 1206 492 1698 646 1216 930 1038 1222 806 730 1238 1118 582 902 1680 2164 504 1356 1370 1538 1378 1058 1898 1884 1408 2760 936 1722 726 1024 1062 1220 1296 1328 1164 1460 1212 1020 1764 654 1216 1016 1222 0 1412 1722 592 1354 1138 1206 1188 0 974 1534 392 794 1312 1560 834 2056 1152 1096 0 1014 768 13286 1868 790 274 944 1320 3084 3246 1146 2042 1706 1318 2944 2580 1844 1604 1346 2248 3288 3190 1258 2022 854 4536 2792 1692 3602 1530 1006 2206 1118 2132 1708 3120 1282 1356 2884 1604 1582 1486 1134 1994 2072 1706 806 1400 3578 1030 1472 1326 1894 1374 2836 1314 856 1154 1244 1494 1378 1374 2208 1516 1190 1222 1248 1260 406 434 3008 1148 2794 3356 1668 1396 1524 1830 1892 2440 1256 1300 2616 1574 1942 1320 2138 2720 1782 N-Acetylserotonin 1644 820 1280 792 0 2012 506 1174 1298 726 710 618 3618 594 0 742 592 654 658 944 1276 388 0 512 1120 686 1114 1090 0 674 972 638 586 2062 1054 912 400 7246 1710 640 448 9306 230 2608 626 0 564 0 550 562 828 1570 1088 1176 656 0 648 848 662 0 0 1184 804 456 2360 0 638 608 1126 1758 3214 1846 624 662 714 1448 1220 1486 428 492 0 1090 1866 808 1778 684 4894 546 490 934 556 712 1262 2238 506 710 1700 884 2708 188 720 880 1164 708 1524 820 928 342 0 126 0 984 632 568 0 798 1898 996 186 1994 2292 1182 320 540 636 1612 2036 302 770 852 472 1366 810 1074 254 538 16624 1156 1024 562 808 4042 1654 502 4182 1074 646 504 0 1376 928 436 626 476 916 680 556 824 1726 410 464 1072 786 724 1522 1364 296 1512 0 0 0 1014 470 474 2140 356 1594 1732 1350 2546 422 0 0 4120 0 0 2108 1362 334 1282 1210 1180 2674 2196 908 5098 1952 3174 586 4098 2540 1108 1564 0 2344 1696 2522 1408 1776 1820 1960 1326 2940 4146 1678 814 1154 418 0 1046 398 578 340 1450 1054 1020 1322 2938 2542 1474 2890 590 402 1346 3542 646 794 1844 1620 0 488 4316 1070 5386 1522 612 2044 392 0 0 1500 1946 1374 898 2928 1376 1240 2018 2252 434 1668 574 604 1910 1966 870 672 5026 2050 702 168 618 1252 260 534 264 1058 944 1240 0 232 0 1116 568 1916 2156 216 0 532 0 0 714 2826 514 0 3030 1026 688 932 0 0 334 0 0 370 250 494 0 892 670 512 302 822 444 734 504 0 1372 11568 6774 1276 7392 900 1100 0 534 524 0 1086 152 958 5688 598 0 1554 684 0 0 672 1334 1606 1600 318 2220 342 0 1264 1114 180 Neopterin 0 0 0 0 0 0 15280 20782 17450 12362 11772 11516 8388 14900 10586 13650 11960 7018 0 15658 10614 12160 162 13670 21690 18694 14244 14280 17528 19086 12822 10874 8696 544 16222 10338 15434 640 10352 10426 11250 13844 9514 11902 10296 8428 10274 10110 0 14758 8424 8446 7800 8534 12314 8014 7778 10110 5588 6114 14694 726 5772 6960 7528 6958 7728 7418 10896 9538 8966 334 8754 6904 6552 3754 4804 4104 4292 3064 4012 5598 4104 3988 3070 4756 3290 3800 4420 3754 4494 4572 3544 3984 4218 5092 2798 3896 3828 2924 2350 2678 3992 2150 1820 3818 3314 2692 4460 2148 2702 3268 3336 2360 16436 3622 2388 2156 16066 2222 1174 1358 3338 0 2358 2604 1918 2226 3152 18448 2496 2512 1944 1650 2930 2372 924 1568 1994 2474 16680 2100 2166 1526 1900 1914 2234 2248 2434 2524 1704 3374 3218 2292 1616 2152 1928 1262 1862 1770 582 12348 16106 12900 18712 0 0 0 0 0 0 0 0 0 772 1810 1186 0 2740 0 2270 0 0 0 0 0 0 0 0 0 0 0 0 0 0 786 0 0 0 0 0 0 0 0 0 1910 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322 1622 0 0 0 0 0 0 0 0 0 0 0 0 0 202 0 0 0 504 0 0 0 0 0 0 0 0 0 0 2424 0 0 0 0 0 0 0 0 0 324 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 348 0 0 0 0 124 0 244 0 254 0 0 0 242 330 0 0 0 278 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nutriacholic acid 45904 34792 22294 9960 14222 23218 175860 192308 174306 199472 166116 171572 167028 188824 180000 179308 151084 179966 153498 207246 151232 172278 167682 180810 184262 190292 165920 161682 186290 208162 148134 147850 160488 164158 160364 173386 173762 211442 162030 156362 167014 217412 146984 151638 178150 165486 164726 152274 151082 209844 147600 143726 131776 159192 150946 134568 134924 138636 135108 160274 208690 175636 138628 145832 149416 139870 134074 135532 154364 171418 143622 134810 126130 130796 148902 174368 163554 158496 196768 187426 188274 160828 212952 199788 186424 200928 190550 179032 178572 172312 184306 200090 185770 172594 188130 191956 94908 140756 150172 178964 214700 163890 147660 153160 180488 212618 181050 164080 182716 120360 172030 168910 180390 173710 223118 196072 194842 178980 216970 175530 214552 176564 155398 163722 211448 163610 177044 177284 179026 187764 200268 194768 164478 184894 170362 179888 169098 155090 172798 174738 193596 192188 158482 133866 199690 181182 194420 177316 168792 193122 170734 179054 178212 144212 171896 163612 183118 163284 166516 193620 176256 183206 174846 174674 186362 93762 58490 4078 1322 966 262 312 504 884 1352 606 1742 103636 7242 5086 8976 14662 27638 129290 42834 72234 89946 67580 65090 75274 120826 90618 103570 32016 62914 86686 45220 69900 85060 59214 66530 44638 46824 42454 58028 44528 50236 17548 16844 49136 50892 22436 5274 6822 12438 822 3356 0 1132 1996 1404 2710 846 4898 3838 19282 30100 54076 78712 77636 39162 50178 160288 46806 72864 33868 8242 17678 44742 57574 41578 38440 39084 44668 48778 33446 44492 45478 92958 73618 40000 22556 10780 30014 44728 40404 12962 52866 53282 50734 66454 48440 57836 98824 38048 15934 23304 146442 192334 104168 83840 75842 4948 5044 10438 34498 32488 32338 6702 33326 26148 39404 28286 6990 24528 35590 33778 27700 24626 10504 8936 15272 46864 22042 40670 33230 35034 57038 40436 33108 35264 27598 22096 29396 27358 33932 30166 39104 47020 53896 43994 26948 63730 48838 31232 28878 37354 53308 25224 26276 38916 38880 31640 42538 47114 43334 49340 74898 69912 35880 40554 82130 42062 38340 20294 20078 37332 48788 20504 26138 33150 36826 9206 45898 40282 44922 44170 27978 9030 o-Tyrosine 2686 3162 3042 4074 2420 2858 4714 3402 1746 3708 2378 1508 3812 1684 1620 2952 2184 2892 2974 2768 2150 3538 2910 1986 1974 3026 3702 3718 2084 3054 3208 1200 1914 2292 2608 2568 3062 2068 2264 2184 1476 3480 2264 2816 2348 768 3806 2360 2238 3428 5546 2374 2748 3604 2794 3096 3296 1650 2384 2108 1588 2100 2866 1906 2574 3232 2120 2400 2412 2498 3096 2848 2818 2344 3420 3002 2518 3532 2446 3624 2768 2552 2298 2640 1822 5824 2146 1842 2416 3744 2292 2478 3708 2950 2186 3658 5658 3462 2896 2150 1212 4374 1954 3450 4158 4228 1880 2544 4358 2932 4352 1532 2850 3294 2692 1642 5720 2636 1782 2624 1754 1994 3628 4352 3026 2534 2142 4578 2100 3828 3030 2352 2516 3516 2412 2108 1714 3702 3450 1932 3224 2940 2690 4534 2822 2006 1986 2572 2260 3062 1900 3258 2776 3542 2026 5344 2426 2758 2322 2696 2972 2228 2580 3148 1740 3376 4160 3434 2682 3948 3402 2714 3990 2398 2374 2336 3470 2728 3864 2298 2998 2024 1574 2206 288 0 1888 2486 1478 2708 1884 3364 4216 2586 2712 3878 2198 2788 498 4300 2172 2112 3796 3150 3656 3384 4206 1842 2406 3250 3426 4190 1696 4858 1380 1986 1126 3128 2544 3496 2506 2570 1534 2948 3762 1792 1858 3572 2926 3212 3070 1910 3038 10878 2200 3204 2976 2716 2800 2972 2248 3240 3446 2016 2336 1564 2288 1962 1716 4134 2042 2484 3138 2882 2408 2178 2590 3842 3506 572 3520 2018 1748 2622 2216 2322 1778 2374 2378 2586 4546 4384 3192 1572 2632 2030 2564 1772 1924 3486 2358 4354 3346 4300 1390 4166 1412 1192 2474 2862 3576 2724 2944 3478 1948 3402 1578 2346 1406 3550 2266 1224 2304 1610 4118 1882 2288 1348 2890 1994 2658 2014 2654 2370 2964 4856 3822 4848 2940 3282 3012 2980 2858 1388 1406 2172 1816 3218 1982 988 3448 2102 2014 1916 1792 2554 3260 2112 1620 1920 4494 3636 3494 4172 2622 2674 2924 2934 3212 Octadecanedioic acid 1180 1150 976 956 1062 1058 1324 1004 1160 1174 932 920 1000 1178 1084 980 1184 1444 1016 852 1074 1382 1150 1710 1084 1164 1264 1446 1166 1382 1262 1678 1432 1324 1634 1376 0 1750 1558 1618 1912 1122 1730 1984 2252 2922 2488 2154 2218 1068 2034 1822 2468 2602 1754 2418 2142 1694 1942 1738 1578 1198 2172 1618 1918 1742 1768 1946 1428 2532 2548 2368 2188 1992 1374 1096 1264 1008 964 1038 1120 1546 1084 1474 1766 1034 1000 1274 1104 1676 1234 1158 1256 916 1386 1154 1130 1392 1094 1562 1254 1148 1004 898 1112 1380 1280 802 1004 1056 1642 954 1146 928 1308 1244 834 870 1076 1010 1490 1274 1008 1208 1200 1064 1184 1292 1072 1964 1030 1064 1532 988 1212 1248 972 1224 1412 1464 1540 1614 1210 1474 1376 1306 1260 1568 1098 1338 1542 1004 1080 996 752 1286 1360 1256 1222 1340 1206 1840 1326 1218 1346 1408 1328 948 990 1110 1064 1060 818 1076 1098 1366 1106 824 778 766 1080 1134 1160 1066 1462 1124 1202 852 1074 968 772 906 1096 868 1058 790 842 1038 1088 1172 970 958 860 1094 744 1018 922 1190 1128 920 1088 1116 1204 784 970 774 784 1240 1390 1152 1528 1222 1082 1054 1406 1078 1234 812 862 1148 850 1188 1142 798 920 834 814 1062 1020 868 1100 1216 1102 954 874 968 1166 1156 698 916 1020 1034 906 1232 1044 834 1136 1146 834 1100 910 908 1424 1288 1364 798 1196 832 842 918 950 1146 1542 1104 964 962 1256 1170 804 1224 1090 1382 1162 1126 862 854 1180 1222 728 1116 1034 1040 1084 1188 1490 1148 1108 1342 712 1080 1434 1108 1138 1110 1570 864 1248 960 1182 1442 976 1398 980 1264 1106 848 878 966 1012 930 1122 926 1084 1064 1540 1096 1364 900 1502 1144 1406 1364 1380 1030 814 1138 1364 1044 1210 868 1316 1024 1532 1322 1052 1096 1312 1026 1036 p-Aminobenzoic acid 1832 2248 1746 2214 1688 1672 1964 2534 1466 2592 1518 1332 3124 986 2314 2306 2152 2416 2888 2182 2626 1934 2036 1568 1774 1646 2662 1836 1664 2656 3730 1738 3252 2622 2438 4300 3710 5720 4334 2620 2312 3370 3760 3246 2078 594 2850 2090 3226 1156 3560 2482 2670 2524 1652 2186 2994 1600 2216 1756 2244 2142 2888 2328 5314 2452 3846 2738 2362 2656 3922 5092 2076 1640 2094 2770 1512 2140 2924 3998 1686 2258 2982 2016 1454 4740 3478 2504 4418 1760 2370 1842 2236 3140 1848 2062 4816 5726 2116 2368 1356 3292 2920 3318 3280 3572 2516 2510 2934 6208 3332 2268 2848 2502 2910 2926 3492 2328 2702 2734 2388 1622 4224 3048 1656 1690 1572 2796 2744 2242 1656 2312 2630 1516 1990 2870 2578 1972 5408 1580 2484 3958 4284 2268 2922 2566 1752 1630 2990 1816 1732 3784 3328 1940 1942 2072 1590 2362 3608 3468 3506 2226 1806 1714 1608 2234 3434 3052 2342 1914 1260 2424 3140 3006 2974 2204 1348 1606 2806 2588 1790 1972 1264 3924 528 0 2718 2616 826 2402 1698 1858 2932 1598 2456 3206 2472 1832 610 2834 1546 1368 2780 1528 3114 3204 3432 2118 3540 2450 2136 3130 2006 2782 2020 3714 1726 3968 1940 2774 2420 2222 1742 2844 1894 2094 2930 1794 2498 2546 2602 2038 1778 1286 1626 2536 3150 2918 3448 2336 2810 2814 2654 4004 2324 2180 3314 1780 1664 2424 2550 1786 3858 1996 2476 1902 2190 2350 1424 258 3960 1922 1248 1604 2168 1826 1092 1566 1886 1654 2392 3612 2054 1262 1844 1630 1858 3860 2106 2122 1988 1756 2632 3318 2172 4536 1796 2750 2380 2278 2906 1418 2230 3044 1226 1656 1080 1412 1732 2040 2180 1056 2696 2322 4976 2014 1784 2168 2458 1240 3474 2478 3266 1352 2478 3346 2094 2732 5388 3144 2604 3804 2220 1446 2458 1312 2834 1482 1902 1710 1748 2942 1682 1738 2282 2064 2120 1484 2970 1040 3296 1594 2488 2294 1662 2166 2066 1358 1944 p-Octopamine 740 1142 1340 1380 936 0 1738 2028 1826 1224 1240 1340 1678 0 1372 1136 1530 0 0 0 0 1586 0 0 1600 1270 0 0 0 3204 0 1188 0 0 1494 158 978 0 0 1468 0 0 0 1758 0 0 0 0 0 0 854 558 996 0 0 0 0 862 0 886 0 0 0 0 0 0 138 0 1542 0 920 0 1000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1030 0 0 0 0 1594 0 1482 0 0 1732 1722 0 0 1530 0 0 0 1486 1162 0 106 0 854 1602 1854 0 0 0 1320 1294 0 0 0 0 0 828 0 1672 948 0 0 858 0 1530 1362 0 1540 0 0 0 936 0 0 0 864 934 1344 1128 0 0 1402 0 0 0 0 976 0 0 0 1120 0 1060 1406 1314 1070 0 0 0 0 0 0 0 0 0 0 0 1060 1544 1166 1250 888 1102 0 1636 0 0 996 744 0 1114 1276 1008 1248 1334 1142 994 2110 1400 0 1008 1442 970 1058 1168 0 1022 560 0 1186 0 1978 980 676 950 1040 1008 1586 0 1168 1052 758 0 946 1004 1172 1652 1524 1100 0 934 1040 914 1094 1208 1062 948 1270 1368 986 1618 1362 1142 1270 1116 1248 1230 0 1100 1906 1212 1208 0 1426 1236 744 1482 0 880 904 0 0 956 1300 1046 1412 1520 1232 0 0 0 0 1554 1000 1726 1424 1302 1646 984 0 1152 1696 1010 1174 1078 1428 1674 0 1450 744 1804 1754 1320 1558 0 1318 570 1152 914 1406 1640 1668 1020 1448 0 0 954 612 882 1080 1022 796 1308 1124 2048 1242 946 1438 1072 1398 0 1180 1406 892 1120 0 0 1130 854 1038 1246 1858 1682 1538 1106 0 810 952 938 1546 1248 906 1298 1464 1040 0 1328 1216 842 1660 Pantothenic acid 3118 3658 1808 4028 2386 2878 3914 6418 4634 3140 3408 2510 5092 2114 2936 2940 3196 2426 0 8928 2890 3514 5134 1912 2894 3632 3772 2902 4954 3356 3000 2544 1396 0 1894 2230 2428 5514 3978 1382 1372 5768 1366 1706 2198 720 2868 2050 1814 2766 2762 6898 12138 4084 2168 2908 2088 1724 808 1996 1134 1964 2310 942 1926 3070 2628 2664 3864 7538 3542 1662 2662 2266 4490 4010 1936 2630 2652 3284 2526 3714 1610 2654 2314 2234 6514 1652 1808 2088 2948 1458 2130 4136 2634 2922 4562 2904 2880 3372 1324 2792 1746 2148 2178 4082 1290 2146 3446 2486 2194 2644 3850 2086 2514 4532 5196 1994 2838 3614 10398 2546 2048 2930 2420 6286 2428 3600 2002 4120 2202 3098 2462 2256 2222 2806 8600 3096 2804 1862 0 3374 3226 3134 10442 2384 2752 2286 3024 2014 2794 1658 1606 2710 1942 2428 1882 1870 2288 3876 2792 1602 4228 2730 1936 3420 3382 3932 5502 4320 2726 3634 5186 3480 10354 2090 4466 2056 5078 2614 2360 5788 2830 3798 0 0 7710 2908 810 5344 2836 2964 2510 2714 2772 6728 3582 2406 1166 4644 3196 5138 2966 2880 0 2232 2678 2294 2286 2250 3090 3500 1586 898 2290 2418 1154 2486 3908 2914 1800 2002 1340 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1358 0 0 0 0 170 0 1108 2118 0 0 846 0 0 2604 0 0 2104 1874 1742 1544 1650 0 0 0 0 0 0 0 1206 0 0 0 0 0 1956 2224 2624 1914 0 2870 0 0 0 0 0 0 0 0 0 0 3454 2568 1762 2146 2998 0 0 0 0 1444 1948 0 2212 2304 2088 2984 2348 2098 3642 1326 2318 0 2818 1566 2022 2484 2626 0 2318 3148 0 2082 0 0 2506 1500 2388 1528 2446 0 0 1732 2722 1896 1962 1352 1922 1904 1930 1856 2534 0 1718 1792 2878 2522 1832 1734 2076 2008 2730 2684 3296 3078 1772 3530 3578 2698 3378 0 2642 2846 2398 1772 2130 2182 2512 1964 2120 0 2286 2314 0 0 2334 1914 2394 1912 2018 2386 210 0 0 0 0 1790 2154 2786 1720 2220 1462 0 2388 2628 2434 2612 2832 1636 3536 0 0 1746 2230 2840 0 0 0 1656 1692 1814 1750 1512 2192 1648 2072 2342 0 0 1544 1760 1256 2100 1380 1352 1784 2218 1762 2214 3328 3152 3984 2714 2178 3518 2930 3000 1428 0 0 1952 1962 2202 1206 0 0 1170 1680 0 2164 3214 1586 2148 2166 2350 3086 2500 2476 2098 2810 2280 2140 2076 Phenylacetaldehyde 2408 2324 1664 3210 2832 2322 4634 4162 2972 4006 3356 2862 3714 3988 3464 4438 2388 3042 3586 3786 2752 2790 3106 3344 2834 4686 2894 3230 0 4930 4210 4288 2304 2686 2932 2862 3500 4040 3638 3186 2972 3454 3214 4298 3994 3092 2476 3076 3488 4660 5332 2766 3514 3014 3928 2124 2680 2394 2572 2832 4304 3646 3202 4808 3520 3760 3178 3424 2946 3144 2740 2972 3984 6010 3386 3200 1768 3054 2350 4014 2192 2086 3190 3360 2576 2490 2182 2654 2430 2698 2752 2718 2588 2664 2286 1914 2396 2514 3006 4332 2892 2912 3096 2660 2146 2044 2404 2474 2842 2660 1830 2918 2728 2244 3512 2258 2658 1554 3506 2538 2512 2374 2826 2500 1942 2400 3868 2802 2246 3858 2816 2260 2600 2388 1690 2184 1956 2888 2902 2242 3082 2734 1828 2534 2356 2098 2812 2004 2260 2586 1682 2068 2162 2568 2326 2362 2280 2852 2604 2128 4806 4328 3668 2994 2904 2078 1968 3366 3332 2202 3542 2426 1504 2958 2680 1742 2308 2934 2460 1934 2274 1684 1652 2936 448 426 3452 2574 834 2684 2176 2428 2426 860 2318 2084 2668 2180 862 3398 2988 2032 3078 1858 3220 2382 2588 2114 2194 2904 3154 1726 3250 3262 3380 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400 286 300 388 0 270 234 392 0 412 0 246 200 0 354 0 0 148 294 408 0 262 1046 298 0 0 370 0 366 302 452 0 240 226 0 280 450 Pyridoxal 348 284 634 328 188 344 1748 3784 2184 3350 2688 2432 6640 3438 2628 1866 4080 3742 228 3394 2074 3754 0 2938 3608 2616 4474 6828 1982 2716 4720 3474 2334 684 8522 3474 4466 274 5294 3484 3252 5610 2518 4008 2732 1600 2986 1922 144 1316 3516 3416 4270 2578 5032 2820 4480 4110 2378 2870 1554 1408 2136 2160 3622 2420 3090 3138 6030 5884 6192 256 3370 3264 4110 5508 6990 6048 5324 4254 7138 12058 5088 7182 3328 7946 10764 6606 10618 6556 6212 7162 8056 8784 8768 11524 6510 7644 7218 6270 7678 6884 6928 5610 2816 11864 4564 6270 10666 5376 6716 7186 6040 5830 1924 11206 7748 6956 3080 5252 4424 4196 8488 308 5276 8978 5728 6142 7386 2330 5596 8400 5430 4484 5976 4662 7480 6326 3398 4358 2314 4270 5068 5442 7204 5376 5768 5934 6152 4392 4732 7592 7064 8104 3362 6536 6444 5604 7772 6172 0 1720 2770 3992 3510 232 370 200 244 0 294 136 376 156 6666 9364 4382 0 17856 242 8182 270 166 226 0 0 122 224 0 296 378 138 0 218 178 366 160 354 0 372 136 358 228 374 338 9418 282 0 286 326 214 318 0 256 232 124 300 222 204 208 110 280 446 5916 232 334 298 236 252 138 0 0 334 518 196 290 336 348 416 240 266 0 310 1344 256 230 0 254 278 182 224 430 8270 294 284 392 412 298 216 0 220 0 652 312 310 0 206 264 280 298 200 320 496 654 220 126 366 640 390 204 288 568 400 470 350 388 606 464 768 256 334 230 0 352 568 368 318 280 424 634 566 346 316 198 0 336 238 276 304 342 138 352 0 362 332 658 240 188 2722 426 206 278 330 0 154 0 144 410 368 0 222 338 820 476 214 226 364 282 364 148 230 250 454 324 328 358 372 470 418 Pyridoxamine 5976 9134 9004 9436 7484 4972 7584 6856 4530 7088 5738 5848 5888 7996 7032 8706 7332 7538 8590 4156 9180 6270 8808 10338 5434 5212 6072 10696 4754 6110 13152 7122 11898 13910 9806 12768 9798 6760 8358 11074 6706 4646 7872 9724 13282 4268 9190 9904 9826 4444 7096 5616 11988 10554 11022 8182 9858 7590 9102 7478 6694 4504 12964 9044 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36362 7032 29636 25678 10464 28768 13982 6270 11370 20570 4688 20750 44922 25124 13808 19332 20334 4558 7084 14536 13704 16496 8258 11994 7330 18898 11460 8722 8290 11296 45710 20062 12802 11688 21538 12808 24712 29298 34380 6920 6070 3662 36674 26990 18402 21424 20042 3426 17128 6304 31806 25628 55056 6866 30944 13444 30894 9538 8864 11054 16368 5964 17900 55962 10126 1516 11824 8234 3442 6250 40930 21416 8254 28372 5484 22202 26580 12798 10230 7950 2180 38612 6974 4386 10292 13248 14526 11874 21894 17482 2664 22546 3302 23350 10944 4704 21996 22564 12024 9258 25856 5106 7056 27812 20180 1850 15984 31708 29436 23974 22108 10208 15616 45230 7608 2914 33004 22254 3654 35102 16158 11244 4134 7536 12526 20540 506 10760 8140 19380 19624 14020 7128 19662 8016 2904 18448 25732 1340 0 3300 8582 6474 13202 5354 32308 13170 25926 33606 61420 8262 27750 3636 2428 1574 11706 29764 7838 16170 25152 36266 9426 19650 4766 15084 26870 5034 14892 85846 35074 10062 20212 7948 3508 11098 7706 22348 39318 5654 16744 9486 27628 8894 64828 20170 26364 19992 5938 13710 7226 28812 24382 1872 16562 14538 6896 5442 5132 12166 22786 22230 3228 6026 13252 21616 7794 6018 7038 4150 9090 4476 19330 16520 1850 73510 12164 6362 10526 14914 17580 32664 5386 22738 1986 2266 15164 6894 16136 17260 32134 22198 10206 20434 2488 5718 10708 15954 15346 16222 4920 15672 8892 30552 18898 2084 7038 9006 18660 12798 21336 13194 5048 24688 10460 7954 10942 2850 4908 10888 3786 11744 7300 8014 10772 28654 4174 8276 5998 13302 45470 20414 9818 14314 13610 27826 12440 26620 8930 22280 694 3748 5832 9644 1852 49010 16864 15058 39060 22116 11952 11186 3654 12234 2278 9930 3758 21514 17040 25086 42710 60620 64482 16376 Traumatic acid 0 1174 1366 1090 1326 2626 3178 0 4178 1280 638 998 7226 0 682 910 0 846 368 3812 724 1440 1186 1464 4500 530 492 450 1208 410 682 474 602 0 736 856 0 2056 1454 0 454 0 1482 904 576 612 1382 1168 600 1178 1990 1178 1548 1300 876 978 1808 1836 2004 758 1876 2620 1238 0 1036 0 790 2966 848 1116 968 1294 1146 0 2204 3410 984 1180 860 472 588 1790 876 570 1220 1172 1732 1312 324 860 714 598 1114 372 0 1210 1098 0 1222 1958 606 714 836 1350 1128 840 894 1096 1214 604 2150 6890 1420 930 1316 866 1532 744 2766 1556 2460 622 492 3160 660 1656 1048 1018 1436 434 0 1964 1130 746 1350 1272 0 2626 5794 1110 342 2480 1598 924 1790 1190 756 1020 572 584 1466 782 2914 1034 1012 0 0 864 2656 1356 1988 2524 240 1302 0 970 0 5638 1264 1866 0 868 1236 4464 1722 2384 1068 914 1566 0 396 1020 0 858 0 140 986 830 1192 596 1526 1522 930 768 1370 1790 852 776 278 1674 1482 1024 4418 1404 1760 1230 9302 586 1224 896 1166 1604 1326 0 620 676 620 1242 2084 1332 1050 926 1134 1364 1296 912 2874 1668 1352 662 606 700 1778 1080 0 880 1360 500 822 646 1072 538 918 668 896 784 1744 1316 440 0 1040 1214 2376 1048 1350 1628 0 1228 958 0 678 1562 1482 1978 2058 1784 1008 678 1344 0 0 1848 804 780 978 548 1312 384 0 720 558 532 0 740 910 3256 606 648 878 0 598 1200 0 1780 1416 2104 566 418 0 1406 0 854 1314 1610 590 0 1658 0 758 0 9924 1108 0 0 644 0 1128 1370 1298 2130 2096 3354 344 0 786 0 0 548 1056 632 0 1548 430 0 0 1394 0 2322 702 0 658 0 452 1236 572 1080 1656 0 1210 Trimethylamine 54294 43574 1060 15400 252110 204792 48104 177204 95226 32508 104914 0 56614 27558 62116 11710 278030 45324 253482 243310 85758 33934 14182 55102 55654 86020 73792 19964 338792 82272 89242 70574 63998 66992 39090 135524 231518 64328 8516 27702 119524 161742 0 89926 40250 7354 0 80092 119028 29188 66128 69798 28160 81210 48942 102214 24338 186608 185206 33962 47016 53732 53546 162610 43810 44554 16072 39438 77476 105898 82730 71388 85784 12900 84364 157966 36326 154992 70622 43496 99644 38126 18376 100432 32600 25844 39718 73582 52882 67892 112742 11828 182026 46890 94058 60474 129588 19160 258952 16934 40260 224676 19740 43698 35558 56074 18778 36960 70250 121142 133606 58446 58078 42040 257094 22862 52184 56102 47148 61988 52978 61542 60090 22300 147644 83018 89902 62256 246084 112564 107012 48964 65958 45220 102674 24622 44410 57280 109084 32564 32752 50880 62686 23092 73784 67238 19354 92402 31252 71492 0 57098 48230 201468 68784 69372 30696 71342 21178 45264 145264 40620 27620 155432 110178 72340 213234 177200 143972 22226 84948 53502 143192 39686 0 78932 95400 48800 245352 45556 46710 55484 68018 78272 14872 498 58282 30804 64196 103968 45258 138144 7616 44046 30590 89186 45338 197036 11824 98936 53252 68266 11692 11566 24916 148688 41162 25282 45776 50794 82134 105330 185786 71066 229884 12590 223782 129796 278824 68952 89894 62402 77556 23392 45848 124714 99734 57800 23268 83946 59384 11072 184954 98224 48324 44394 219536 170892 113360 47472 79284 45564 42434 78388 80736 36076 214200 224588 63202 304982 13506 50152 11268 202252 26320 103250 39244 48870 26078 2650 149964 139912 72564 30084 120446 73606 252318 87134 18622 18840 181584 177658 143286 61302 198302 134518 98548 86860 93578 55582 150450 182122 86236 39384 42122 78438 46222 111226 62798 85120 67812 50632 88156 102500 106264 12718 245536 78390 115342 146250 40186 57648 68460 124620 112918 210504 52212 74426 103058 85818 139978 45838 239366 121880 38430 43724 52340 95784 83042 115202 55938 97656 101634 156768 131354 151660 91528 128122 49744 20378 129874 59878 22220 29730 42876 186582 101856 35986 170366 44582 55720 43642 279794 135702 121084 56584 143656 16098 28818 Uracil 1774 1728 1586 2260 1840 1866 1478 1796 2092 1718 1078 0 878 0 0 324 0 0 0 1692 0 0 0 0 1944 1974 0 0 0 194 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1154 1306 1238 0 0 0 0 1410 0 1678 0 0 0 0 0 0 0 0 0 0 1622 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1596 0 0 0 884 0 0 0 0 0 858 740 1814 0 0 0 0 0 0 0 0 0 0 1158 0 0 0 0 0 1728 0 0 1290 0 0 0 0 0 1998 0 0 0 0 0 0 0 0 2192 1890 1642 1780 2440 0 0 0 0 0 0 0 1622 0 0 0 0 0 1382 1632 1614 1386 0 0 0 0 0 0 0 0 0 0 0 0 1942 2772 3008 2270 3420 0 0 0 0 1798 1756 0 1644 2616 1598 1606 1102 1796 1564 1884 3226 0 1854 1764 2150 0 1654 0 1664 1294 0 1414 0 244 1532 1926 1160 1568 1880 1744 0 2008 1722 1676 1440 1386 1578 1822 1100 1132 1444 0 1260 660 1046 1862 1008 1270 1424 1136 1048 1414 1018 1328 764 1618 954 1298 1478 0 1488 2088 1210 1932 1546 2448 2342 1246 1970 0 2280 1660 0 0 1270 2234 1730 1654 1770 2022 0 0 0 0 0 1912 1992 2148 1744 2756 1204 0 2032 916 1016 3386 1234 1130 1468 0 0 1766 0 1398 1770 0 0 1286 1582 1236 1386 1288 1758 1128 1354 1498 0 0 1102 1256 1548 1328 1240 1284 1322 1270 1524 1202 676 1442 1298 1432 1960 1672 1680 1274 1524 0 0 1744 2132 2166 1140 0 0 1604 1658 0 1970 2052 1416 254 1926 1374 1982 2190 3416 2100 2388 2102 2376 2006 Urea 5076 5228 2424 3946 2208 2504 1862 1268 1200 2596 1382 1914 6338 1432 2040 3036 1370 2256 3480 3136 2006 2274 3962 1894 1088 1510 3626 0 2982 3104 3376 1110 2302 4900 2564 2560 3268 10560 5862 4510 2774 4986 2298 6952 5118 1962 2642 2100 1718 1942 3714 3558 3574 3454 4884 4470 2884 1974 1326 2698 3436 2402 11268 4476 4140 4792 2846 4034 5018 4938 0 3086 2828 2288 2604 4510 2300 4382 2084 2846 1694 4226 5812 2764 3502 3086 6824 1488 1988 4588 2780 2176 3288 4336 3466 2942 5178 4104 3294 2886 2962 6382 6202 3622 3162 6978 1874 2580 2174 5156 5420 4646 5664 3396 3800 7208 3172 2764 2934 0 13658 2070 3310 5290 1996 2706 5136 3966 1972 1586 2428 4726 2412 1766 2044 3110 13304 4492 3754 2024 2038 3726 6972 2534 3914 2170 1768 1720 2014 2908 2334 3120 1856 2196 3878 2788 8426 1664 2964 4652 4758 2530 1136 1554 1060 3440 4052 13028 4006 2302 1458 3720 2452 6596 4758 3620 2748 3060 6962 3260 2596 3640 2164 3598 786 1180 2190 3524 2144 7000 2284 2870 3756 2576 2738 4842 4382 2514 2304 4730 1270 1674 3294 3586 14844 3768 3988 3176 5146 3876 3474 3454 3666 3580 2232 3642 1812 3342 2354 3836 3046 3742 1484 2770 8606 3448 5080 2638 8908 3396 2124 1598 984 2692 2704 1352 2482 2100 4090 2244 1474 3558 3070 4904 3804 2458 4458 2256 978 2414 6266 3096 5456 2366 6828 2246 4514 2098 0 1660 8966 4188 1786 2596 4738 2358 1770 2262 11520 1848 1944 5612 1872 1276 1552 1316 1874 2548 3164 1758 2132 1980 2260 2374 1960 8524 1342 2094 3802 4252 3320 3376 4808 2424 1018 4256 1944 1576 3120 3332 2316 1706 3228 4356 2782 2292 2110 4914 1970 1700 3560 1796 2692 1726 6690 2356 1970 4182 14306 5290 3658 7898 1408 1244 3118 1444 1386 1670 2834 1450 3056 4884 2704 1734 4682 1788 1784 4162 2656 2246 3616 1642 1706 1684 978 2322 1086 3086 6238 Uric acid 189074 138330 165204 164326 144262 142316 180810 127200 158432 158270 179698 167776 167002 59350 179074 173864 150354 81036 0 178126 45566 159682 1740 61752 147456 132590 63006 79368 74386 114014 73130 96532 101330 0 147244 91200 181486 0 135062 112482 160508 67998 98890 73392 108130 63660 93280 75166 0 48970 153298 97232 156098 93546 91924 114692 167920 109704 142716 160262 46228 0 119794 187442 145122 137500 162944 131548 179072 154380 189120 0 161370 143384 122726 205030 129492 135434 159790 129380 118824 167906 139692 155548 133136 156632 155446 134622 192916 192846 119158 95352 167452 187458 177820 143856 190616 122992 174502 162706 125800 167694 142308 162754 137532 119656 124892 145734 153668 140478 141038 114970 171254 143142 178538 205462 102600 138248 164344 181918 184546 154772 97408 28550 99052 154970 153842 137588 152378 79558 125178 170108 60754 187782 197448 93374 174656 191426 84964 121204 142176 69858 38164 154398 183168 117798 119058 137930 115514 36570 105154 56342 75536 77328 30680 156102 105720 150824 202090 196600 4048 107490 169414 127942 87782 222058 180586 189152 153126 55230 55720 0 25004 66852 84898 43276 187362 187072 78426 192934 148424 168826 111054 197570 0 0 102244 164284 0 110692 187574 175138 164358 165546 144100 228048 203896 171464 0 176912 150602 153802 182334 125078 158738 143784 175648 162734 161662 185996 219134 164336 144058 140876 152394 152544 123306 167788 191356 151402 131218 128706 114354 146194 145224 170958 162046 187412 180908 156618 123406 147684 179476 200144 125832 110996 166704 160424 181440 130722 159738 132378 149024 161704 139666 195122 124960 140888 188862 166978 160024 129846 186238 161394 175770 174596 87378 184346 184384 0 78774 155284 145250 124514 165698 173586 151672 81942 60094 86906 215674 159650 176536 1048 154632 118622 193160 150778 63694 135320 153510 136982 211528 177076 20252 187198 191976 169418 166172 199866 206546 203696 231986 0 74958 171250 84586 139718 117032 157640 128824 163942 198770 87240 94008 172640 162708 132468 165426 72206 137024 1360 140480 184446 174354 159590 191290 184008 174528 168234 165774 187526 153556 70444 191986 190104 158508 187692 146538 128136 210706 149002 142066 114234 0 156772 151160 174522 145408 113386 183880 119542 184640 183182 118680 161850 144366 156606 146234 Uridine 7370 4998 5382 5478 5506 4426 2282 2980 2242 2570 3202 1896 10186 1442 2262 2530 1892 4682 3602 2810 5136 3690 7924 3500 1878 1916 4296 3716 2546 4596 5856 3964 2772 7702 4628 3994 3874 39718 6460 2578 1796 13980 3692 4332 3620 974 3068 4354 3484 3126 5736 6040 4066 4080 4354 6004 5526 2806 3632 2540 2476 4148 5908 4626 7110 5012 9242 5508 4796 5154 6254 7802 0 3714 0 7262 4574 1354 11336 6814 4438 3830 3820 6200 0 0 24338 3782 4742 4836 6176 4644 3932 7254 4468 6046 5390 3528 1662 5528 4060 1044 5588 5680 3716 4972 1172 4360 4912 5310 6212 4790 6206 4256 6990 8044 6698 5808 9448 5698 27440 4722 4048 8478 3934 6806 0 4098 4070 3542 3078 6036 3416 4612 4494 4192 20956 5028 3382 3586 3258 5854 7974 5596 8100 4574 4924 5070 5124 5932 6002 5556 6380 5060 3352 4094 3364 3652 7708 5408 5366 1984 3630 2418 1820 4770 4760 9276 7082 8382 5072 7374 8650 14052 10152 5670 3434 3244 3466 4728 3830 8856 4584 3300 850 258 4368 4334 2910 3046 4806 4674 4622 3764 5182 18098 4550 5024 2900 3678 3466 5062 7248 5970 4210 6394 7980 8564 0 8516 8200 8530 3856 5604 4108 5062 6768 8894 5516 3796 4088 3690 3590 5146 5352 6278 3620 6284 11704 4592 2930 3208 3040 7460 3286 3696 4284 3814 5634 3766 3488 11192 4818 16832 4092 5634 8182 4462 4526 5522 4360 4212 5676 3292 3210 5208 4756 4012 4750 1148 5676 3500 3276 3500 3606 4828 3998 5588 5114 4930 6144 6932 5080 3220 4270 4334 4856 6990 8214 4836 5180 4604 6228 5174 4046 8362 6786 6664 4462 7406 6642 6812 9358 9110 5276 7854 4428 4440 4194 4400 5536 4396 6354 7034 1226 3546 4194 4092 5262 3878 5786 6280 6052 4712 6360 5406 6214 4678 17038 11060 9078 14896 5546 4206 8602 5850 5782 4388 4156 4272 5314 14604 6682 3170 8478 3608 4534 7704 3780 4280 6752 3558 6228 7298 3694 4122 5124 4788 4230 Urocanic acid 1038 1434 2026 1374 1640 1654 159508 149670 136196 68238 67208 65632 60204 69412 63210 64046 65038 66664 64610 133010 52710 56308 58242 53086 131844 140082 52758 51708 116472 129982 46456 50980 49396 41350 43304 45150 43742 42176 35302 38892 43268 130476 42520 45196 39552 41640 40064 39720 37844 122126 37868 36644 36478 34306 32748 32714 32338 30344 25724 26504 126172 125384 23210 22496 25152 22826 21178 25784 23340 24230 22426 22856 20196 22858 18966 21108 21080 21534 19950 21692 19318 19686 20236 19270 18924 17706 17370 16356 18046 19472 17726 17786 16344 14456 17006 13626 13292 15540 13794 13690 6436 13190 13514 12732 10880 12544 11988 13264 11034 12442 11652 12016 11046 12554 116608 10732 11480 13304 111588 11540 11228 11792 10458 10756 12070 11616 9602 11158 10304 120668 11798 10986 9844 9470 9754 9330 9418 9134 11094 8930 113794 10836 9208 7700 8472 8388 6842 7234 7190 6838 6596 6738 6784 5606 6570 5390 5138 6382 5750 5816 100278 105008 94492 82494 80474 3360 2394 3148 2522 2228 1928 1700 2302 1926 4756 4686 3444 2424 4870 1626 3960 2410 2118 3418 3044 2506 2112 1492 1872 2154 1976 1536 2786 2426 1950 3454 2206 2974 2604 4200 3284 2558 2442 2454 4098 6086 2896 3702 3726 2616 2208 2432 3854 2690 3550 2562 2048 2232 1722 2492 1572 2190 2410 3298 1932 1732 1768 2630 2318 1468 1996 1442 2762 2034 1706 2112 2164 3258 2994 2936 1962 2910 2636 3682 2352 2194 2188 2236 2486 1610 2260 1954 4700 1858 3118 1554 2616 2578 3688 1078 2664 2554 3678 2774 2692 2120 2164 4876 2936 2418 2828 2154 1834 1656 2046 1918 1986 1866 1982 1530 1728 2760 1390 1866 1740 2026 2318 1758 2062 2986 2164 1510 1064 2018 2178 1410 3178 1282 1898 2342 1478 2806 2244 1706 2346 1254 1874 1546 1576 1456 1022 1352 1042 1272 1250 1436 1682 1628 1372 1624 1714 1608 1718 1106 1590 1606 1712 1808 1748 1782 1306 1374 962 1576 1548 1570 1534 1822 1406 1552 1926 1920 2110 1644 1632 1626 2548 2354 1552 Xanthine 1076 748 1808 1072 1348 1344 1482 2868 2782 998 0 1508 0 0 0 0 0 0 0 1828 0 0 0 0 1544 2246 0 292 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 738 3452 994 0 0 0 158 1196 0 1460 0 0 0 0 0 0 0 0 170 0 2090 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 990 0 740 0 0 0 0 0 650 0 1162 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168 0 0 0 0 0 0 0 920 0 0 0 0 0 0 0 0 1448 1320 904 1156 1568 0 0 0 0 0 0 0 884 0 0 1642 1004 0 1602 1432 2074 1480 0 150 0 0 0 0 0 0 0 0 0 0 298 940 1052 1498 1890 0 0 0 0 1354 1206 0 1558 774 892 1352 1208 1184 940 0 1336 0 4572 1188 1048 1208 1106 0 1144 1026 0 1734 0 0 1060 1058 1008 1766 1462 0 0 938 874 1234 1190 850 1004 1138 774 802 1800 0 1040 732 1316 1468 1858 1434 1330 1108 712 900 1210 1512 920 1038 738 604 1080 0 1870 0 776 2106 1270 1818 2180 1572 1398 0 1856 1396 0 0 1016 1772 986 1128 4324 1734 0 0 0 0 0 1850 2024 1138 1266 2250 930 0 1396 0 988 1856 1656 938 0 0 0 1166 0 1010 700 0 0 2110 1344 1622 1348 1150 1632 656 1354 1258 0 0 940 848 1422 1350 1048 900 856 1270 1444 584 626 1498 1518 642 1030 918 1074 1330 1476 0 0 872 1272 1860 1424 0 0 1176 1300 0 1960 1682 1652 0 1696 820 1214 1570 2032 1824 1742 1568 1976 2324 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RT [min] m/z meas. M meas. 1,3-Dimethyluracil 10.88 141.06989 140.06262 1,5-Anhydrosorbitol 7.62 165.07573 164.06845 1-Methyladenosine 5.14 282.11976 281.11248 17a-Ethynylestradiol 7 279.17043 296.17511 2,3-Diaminopropionic acid 12.29 105.0698 104.06253 2,4-Diaminobutyric acid 13.29 119.08546 118.07818 2-Furoylglycine 1.12 192.02443 169.03513 3,4-Dihydroxymandelic acid 6.07 185.04459 184.03731 3-Hexenedioic acid 1.79 145.04953 144.04225 3-Hydroxy-4-methoxycinnamic aicd 4.81 195.06549 194.05821 3-Methylindole 5.95 132.08072 131.07344 3-Methylxanthine 5.19 167.05643 166.04916 4-Aminophenol 7.67 110.06002 109.05275 5-Hydroxy-L-tryptophan 5.35 221.09118 220.08391 5-Methoxytryptophol 9.7 192.10208 191.0948 5-Phenylvaleric acid 12.6 179.10674 178.09946 6-(Methylamino) purine 2.11 150.07729 149.07001 7-Methylxanthine 4.94 167.05641 166.04913 9-Methyluric acid 4.96 183.05136 182.04409 Acetone 0.31 59.04931 58.04204 Adenine 2.25 136.05818 135.05091 Aldosterone 9.73 361.20112 360.19385 Allantoic acid 0.88 177.06114 176.05386 Alpha-N-phenylacetyl-L-glutamine 6.97 265.11802 264.11093 Androstenedione 12.32 287.20044 286.19316 Androsterone 15.9 291.22964 290.22236 Anserine 11.22 241.13691 240.12963 Aspartame 6.4 295.12888 294.1216 Aspartyl-lysine 12.48 262.13985 261.13257 Atenolol 6.33 267.16804 266.16077 Benzocaine 13.47 166.08647 165.0792 Benzoic acid 6.69 123.0427 122.03542 Butanone 18.45 73.06492 72.05764 Caffeine 6.69 195.08773 194.08049 Canavanine 7.7 177.09998 176.0927 Chlorogenic acid 2.17 355.09975 354.09247 Cortisol 9.63 363.21683 362.20954 Coumarin 3 147.04409 146.03681 Creatinine 1.13 136.04804 113.05919 D-Arginine 1.05 175.11905 174.11177 D-Glutamine 1.06 169.05844 146.06924 Deoxycholic acid glycine conjugate 11.94 450.32146 449.31414 Dihydrothymine 10.43 129.06958 128.0623 DL-2-aminooctanoic acid 1.54 160.1333 159.12602 DUMP 1.91 309.04882 308.04154 Epinephrine 5.04 184.09696 183.08969 Ethanolamine 14.5 62.0602 61.05292 Gluconic acid 5.8 197.06701 196.05973 Glucosamine 5.47 180.08804 179.08077 Glycerophosphocholine 2.13 258.10867 257.10139 Glycine 5.65 76.03948 75.03221 Glycocholic acid 10.57 466.31655 465.30927 Glycyl-L-leucine 4.71 189.12357 188.11629 Guanidine 1.05 60.05576 59.04848 Guanosine 5'-triphosphate 16.37 523.99846 522.99118 Hippuric acid 7.07 202.04762 179.05838 Hypoxanthine 4.73 137.04573 136.03845 Imidazole 6.69 69.04489 68.03761 Indole 5.95 118.06495 117.05895 Indoleacrylic acid 5.95 188.07059 187.06331 Indolelactic acid 8.32 206.08137 205.0741 Inosine 4.73 269.08806 268.08078 Isovalerylcarnitine 6.32 246.17011 245.16284 L-Acetylcarnitine 1.79 204.12313 203.11585 L-Alloisoleucine 7.14 132.10189 131.09461 L-Aspartyl-L-phenylalanine 5.97 281.11298 280.10589 L-Carnitine 1.1 162.11254 161.10527 L-Dopa 5.3 198.07384 197.06656 L-Glutamine 11.08 147.08046 146.07319 L-Kynurenine 5.1 209.09206 208.08478 L-Leucine 5.92 132.10185 131.09457 L-Methionine 2.1 150.05834 149.05106 L-Norleucine 6.09 132.10188 131.09461 L-Phenylalanine 5.77 166.08631 165.07903 L-Tryptophan 5.95 205.09721 204.08994 L-Valine 5.04 118.08617 117.07889 Levoglucosan 1.16 163.0601 162.05273 Levulinic acid 5.12 117.05719 116.04991 m-Coumaric acid 3.01 165.05466 164.04739 Methylmalonic acid 2.22 119.03518 118.02791 Metoprolol 6.66 268.19083 267.18355 N-Acetylserotonin 6.98 219.11267 218.1054 Neopterin 4.75 292.0478 253.08537 Nutriacholic acid 20.09 413.26649 390.27734 o-Tyrosine 5.38 182.08119 181.07391 Octadecanedioic acid 21.35 315.25081 314.24354 p-Aminobenzoic acid 1.17 160.03459 137.0455 p-Octopamine 3.06 154.08395 153.07667 Pantothenic acid 5.51 220.11815 219.1109 Paraxanthine 6.01 181.07209 180.06501 Phenol 3.01 95.04911 94.04183 Phenylacetaldehyde 12.29 121.06474 120.05746 Phosphocreatine 10.04 212.03698 211.02971 Pyridoxal 4.75 168.06324 167.05596 Pyridoxamine 0.89 191.07679 168.08758 Pyrrolidonecarboxylic acid 6.97 130.04981 129.04254 Quinaldic acid 5.09 174.05473 173.04745 Riboflavin 6.76 377.14466 376.13738 Ribose 13.47 151.06275 150.05547 Ribothymidine 1.4 259.09257 258.08529 Saccharopine 11.98 277.13991 276.13264 Serotonin 4.78 177.10284 176.09556 Sphinganine 11.2 302.30551 301.29824 Sphingosine 13.14 300.28987 299.28259 Succinylacetone 8.94 181.0473 158.05804 Syringic acid 6.27 199.05787 198.0506 Testosterone 12.06 289.21627 288.20899 Theophylline 5.59 181.07208 180.06481 Traumatic acid 8.7 229.14328 228.136 Trimethylamine 6.48 60.08091 59.07363 Uracil 3.25 113.03446 112.02719 Urea 1.11 61.0398 60.03252 Uric acid 2.13 169.0356 168.02832 Uridine 1.9 267.05882 244.06961 Urocanic acid 0.71 177.00705 138.04212 Xanthine 2.87 153.04072 152.03344 METABOLITES_END #END