#METABOLOMICS WORKBENCH marcrbornstein_20230809_095237 DATATRACK_ID:4212 STUDY_ID:ST002813 ANALYSIS_ID:AN004576 PROJECT_ID:PR001760 VERSION 1 CREATED_ON August 15, 2023, 11:43 am #PROJECT PR:PROJECT_TITLE Effects of acute cold exposure on mouse metabolome PR:PROJECT_SUMMARY Cold-induced thermogenesis is widely studied as a potential avenue to treat PR:PROJECT_SUMMARY obesity, but a thorough understanding of the metabolic changes driving PR:PROJECT_SUMMARY thermogenesis is lacking. We analyzed mouse plasma and tissue samples from PR:PROJECT_SUMMARY fasted mice housed at room temperature or acutely exposed to 4°C. First, PR:PROJECT_SUMMARY C57BL/6 mice (n=41) were divided into 2 groups (n=20-21 per group) and underwent PR:PROJECT_SUMMARY surgery to implant an indwelling arterial catheter. Mice originally housed at PR:PROJECT_SUMMARY room temperature were housed without food for 6 hours at room temperature or PR:PROJECT_SUMMARY 4°C, after which blood was collected from the arterial catheter and PR:PROJECT_SUMMARY centrifuged, and plasma was collected for metabolomic analyses. Second, C57BL/6 PR:PROJECT_SUMMARY mice (n=12) were divided into 2 groups (n=6 per group) and housed without food PR:PROJECT_SUMMARY for 6 hours at room temperature or 4°C. Mice were euthanized, and tissues PR:PROJECT_SUMMARY (brown adipose tissue, heart, liver, quadricepts muscle, diaphragm, and PR:PROJECT_SUMMARY gonadal-white adipose tissue) were collected, freeze-clamped in liquid nitrogen, PR:PROJECT_SUMMARY and used for metabolomic analyses. Overall our data detail a coordinated and PR:PROJECT_SUMMARY broad metabolic response governing the thermogenic response to acute cold PR:PROJECT_SUMMARY exposure in mice. PR:INSTITUTE University of Pennsylvania PR:DEPARTMENT Medicine PR:LABORATORY Arany Lab PR:LAST_NAME Marc PR:FIRST_NAME Bornstein PR:ADDRESS 3400 Civic Center Blvd (Smilow 11-187) PR:EMAIL marc.bornstein@pennmedicine.upenn.edu PR:PHONE 7742796684 #STUDY ST:STUDY_TITLE Effects of acute cold exposure on mouse metabolome ST:STUDY_SUMMARY Cold-induced thermogenesis is widely studied as a potential avenue to treat ST:STUDY_SUMMARY obesity, but a thorough understanding of the metabolic changes driving ST:STUDY_SUMMARY thermogenesis is lacking. We analyzed mouse plasma and tissue samples from ST:STUDY_SUMMARY fasted mice housed at room temperature or acutely exposed to 4°C. First, ST:STUDY_SUMMARY C57BL/6 mice (n=41) were divided into 2 groups (n=20-21 per group) and underwent ST:STUDY_SUMMARY surgery to implant an indwelling arterial catheter. Mice originally housed at ST:STUDY_SUMMARY room temperature were housed without food for 6 hours at room temperature or ST:STUDY_SUMMARY 4°C, after which blood was collected from the arterial catheter and ST:STUDY_SUMMARY centrifuged, and plasma was collected for metabolomic analyses. Second, C57BL/6 ST:STUDY_SUMMARY mice (n=12) were divided into 2 groups (n=6 per group) and housed without food ST:STUDY_SUMMARY for 6 hours at room temperature or 4°C. Mice were euthanized, and tissues ST:STUDY_SUMMARY (brown adipose tissue, heart, liver, quadricepts muscle, diaphragm, and ST:STUDY_SUMMARY gonadal-white adipose tissue) were collected, freeze-clamped in liquid nitrogen, ST:STUDY_SUMMARY and used for metabolomic analyses. Overall our data detail a coordinated and ST:STUDY_SUMMARY broad metabolic response governing the thermogenic response to acute cold ST:STUDY_SUMMARY exposure in mice. ST:INSTITUTE University of Pennsylvania ST:DEPARTMENT Medicine ST:LABORATORY Arany Lab ST:LAST_NAME Bornstein ST:FIRST_NAME Marc ST:ADDRESS 3400 Civic Center Blvd (Smilow 11-187) ST:EMAIL marc.bornstein@pennmedicine.upenn.edu ST:PHONE 7742796684 ST:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 53 ST:NUM_MALES 53 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6 SU:AGE_OR_AGE_RANGE 14-15 weeks old 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 - neg-1 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-1.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-2 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-2.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-3 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-3.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-4 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-4.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-5 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-5.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-6 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-6.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-7 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-7.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-8 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-8.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-9 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-9.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-10 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-10.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-11 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-11.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-12 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-12.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-13 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-13.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-14 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-14.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-15 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-15.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-17 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-17.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-18 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-18.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-19 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-19.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-20 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-20.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-21 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-21.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-22 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-22.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-23 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-23.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-24 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-24.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-25 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-25.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-26 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-26.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-27 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-27.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-28 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-28.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-29 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-29.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-30 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-30.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-31 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-31.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-32 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-32.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-33 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-33.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-34 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-34.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-35 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-35.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-36 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-36.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-37 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-37.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-38 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-38.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-39 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-39.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-40 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-40.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-41 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-41.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg-42 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./arterial_polar/neg-42.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-1 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-1.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-1.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-2 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-2.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-2.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-3 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-3.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-3.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-4 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-4.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-4.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-5 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-5.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-5.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-6 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-6.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-6.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-7 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-7.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-7.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-8 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-8.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-8.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-9 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-9.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-9.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-10 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-10.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-10.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-11 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-11.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-11.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-12 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-12.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-12.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-13 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-13.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-13.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-14 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-14.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-14.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-15 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-15.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-15.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-17 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-17.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-17.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-18 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-18.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-18.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-19 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-19.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-19.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-20 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-20.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-20.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-21 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-21.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-21.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-22 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-22.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-22.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-23 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-23.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-23.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-24 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-24.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-24.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-25 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-25.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-25.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-26 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-26.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-26.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-27 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-27.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-27.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-28 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-28.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-28.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-29 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-29.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-29.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-30 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-30.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-30.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-31 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-31.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-31.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-32 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-32.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-32.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-33 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-33.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-33.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-34 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-34.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-34.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-35 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-35.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-35.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-36 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-36.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-36.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-37 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-37.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-37.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-38 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-38.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-38.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-39 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-39.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-39.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-40 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-40.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-40.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-41 Temperature:RT Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-41.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-41.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi-42 Temperature:4°C Sample type=plasma; Extract Method=hydrophilic; ESI=positive; RAW_FILE_NAME=./arterial_polar/posi-42.mzXML; RAW_FILE_NAME=./arterial_polar/scan2/posi-42.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - BAT1 Temperature:RT Sample type=BAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_B_01.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - BAT2 Temperature:4°C Sample type=BAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_B_02.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - BAT3 Temperature:RT Sample type=BAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_B_03.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - BAT4 Temperature:4°C Sample type=BAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_B_04.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - BAT5 Temperature:RT Sample type=BAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_B_05.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - BAT6 Temperature:4°C Sample type=BAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_B_06.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - BAT7 Temperature:RT Sample type=BAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_B_07.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - BAT8 Temperature:4°C Sample type=BAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_B_08.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - BAT9 Temperature:RT Sample type=BAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_B_09.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - BAT10 Temperature:4°C Sample type=BAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_B_10.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - BAT11 Temperature:RT Sample type=BAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_B_11.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - BAT12 Temperature:4°C Sample type=BAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_B_12.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Liver1 Temperature:RT Sample type=Liver; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_L_01.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Liver2 Temperature:4°C Sample type=Liver; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_L_02.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Liver3 Temperature:RT Sample type=Liver; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_L_03.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Liver4 Temperature:4°C Sample type=Liver; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_L_04.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Liver5 Temperature:RT Sample type=Liver; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_L_05.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Liver6 Temperature:4°C Sample type=Liver; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_L_06.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Liver7 Temperature:RT Sample type=Liver; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_L_07.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Liver8 Temperature:4°C Sample type=Liver; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_L_08.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Liver9 Temperature:RT Sample type=Liver; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_L_09.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Liver10 Temperature:4°C Sample type=Liver; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_L_10.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Liver11 Temperature:RT Sample type=Liver; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_L_11.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Liver12 Temperature:4°C Sample type=Liver; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_L_12.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Quad1 Temperature:RT Sample type=Quad; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_Q_01.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Quad2 Temperature:4°C Sample type=Quad; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_Q_02.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Quad3 Temperature:RT Sample type=Quad; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_Q_03.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Quad4 Temperature:4°C Sample type=Quad; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_Q_04.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Quad5 Temperature:RT Sample type=Quad; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_Q_05.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Quad6 Temperature:4°C Sample type=Quad; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_Q_06.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Quad7 Temperature:RT Sample type=Quad; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_Q_07.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Quad8 Temperature:4°C Sample type=Quad; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_Q_08.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Quad9 Temperature:RT Sample type=Quad; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_Q_09.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Quad10 Temperature:4°C Sample type=Quad; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_Q_10.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Quad11 Temperature:RT Sample type=Quad; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_Q_11.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Quad12 Temperature:4°C Sample type=Quad; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/col005j1_Q_12.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Heart1 Temperature:RT Sample type=Heart; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/h1.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Heart2 Temperature:4°C Sample type=Heart; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/h2.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Heart3 Temperature:RT Sample type=Heart; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/h3.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Heart4 Temperature:4°C Sample type=Heart; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/h4.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Heart5 Temperature:RT Sample type=Heart; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/h5.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Heart6 Temperature:4°C Sample type=Heart; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/h6.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Heart7 Temperature:RT Sample type=Heart; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/h7.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Heart8 Temperature:4°C Sample type=Heart; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/h8.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Heart9 Temperature:RT Sample type=Heart; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/h9.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Heart10 Temperature:4°C Sample type=Heart; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/h1.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Heart11 Temperature:RT Sample type=Heart; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/h1.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Heart12 Temperature:4°C Sample type=Heart; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/h1.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Diaphragm1 Temperature:RT Sample type=Diaphragm; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/1D.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Diaphragm2 Temperature:4°C Sample type=Diaphragm; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/2D.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Diaphragm3 Temperature:RT Sample type=Diaphragm; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/3D.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Diaphragm4 Temperature:4°C Sample type=Diaphragm; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/4D.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Diaphragm5 Temperature:RT Sample type=Diaphragm; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/5D.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Diaphragm6 Temperature:4°C Sample type=Diaphragm; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/6D.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Diaphragm7 Temperature:RT Sample type=Diaphragm; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/7D.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Diaphragm8 Temperature:4°C Sample type=Diaphragm; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/8D.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Diaphragm9 Temperature:RT Sample type=Diaphragm; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/9D.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Diaphragm10 Temperature:4°C Sample type=Diaphragm; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/10.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Diaphragm11 Temperature:RT Sample type=Diaphragm; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/11.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - Diaphragm12 Temperature:4°C Sample type=Diaphragm; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/12.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - gWAT1 Temperature:RT Sample type=gWAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/GWAT1.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - gWAT2 Temperature:4°C Sample type=gWAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/GWAT2.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - gWAT3 Temperature:RT Sample type=gWAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/GWAT3.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - gWAT4 Temperature:4°C Sample type=gWAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/GWAT4.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - gWAT5 Temperature:RT Sample type=gWAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/GWAT5.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - gWAT6 Temperature:4°C Sample type=gWAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/GWAT6.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - gWAT7 Temperature:RT Sample type=gWAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/GWAT7.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - gWAT8 Temperature:4°C Sample type=gWAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/GWAT8.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - gWAT9 Temperature:RT Sample type=gWAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/GWAT9.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - gWAT10 Temperature:4°C Sample type=gWAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/GWAT10.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - gWAT11 Temperature:RT Sample type=gWAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/GWAT11.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - gWAT12 Temperature:4°C Sample type=gWAT; Extract Method=hydrophilic; ESI=negative; RAW_FILE_NAME=./tissues_polar/GWAT12.mzXML; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg1 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg1.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg1.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg2 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg2.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg2.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg3 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg3.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg3.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg4 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg4.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg4.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg5 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg5.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg5.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg6 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg6.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg6.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg7 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg7.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg7.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg8 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg8.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg8.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg9 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg9.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg9.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg10 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg10.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg10.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg11 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg11.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg11.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg12 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg12.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg12.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg13 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg13.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg13.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg14 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg14.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg14.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg15 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg15.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg15.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg17 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg17.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg17.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg18 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg18.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg18.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg19 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg19.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg19.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg20 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg20.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg20.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg21 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg21.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg21.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg22 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg22.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg22.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg23 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg23.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg23.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg24 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg24.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg24.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg25 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg25.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg25.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg26 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg26.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg26.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg27 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg27.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg27.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg28 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg28.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg28.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg29 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg29.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg29.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg30 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg30.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg30.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg31 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg31.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg31.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg32 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg32.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg32.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg33 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg33.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg33.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg34 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg34.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg34.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg35 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg35.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg35.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg36 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg36.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg36.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg37 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg37.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg37.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg38 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg38.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg38.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg39 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg39.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg39.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg40 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg40.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg40.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg41 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg41.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg41.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - neg42 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=negative; RAW_FILE_NAME=./arterial_lipids/neg42.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/neg42.mzXML; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - posi1 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi1.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi1.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi1.mzXML SUBJECT_SAMPLE_FACTORS - posi2 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi2.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi2.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi2.mzXML SUBJECT_SAMPLE_FACTORS - posi3 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi3.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi3.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi3.mzXML SUBJECT_SAMPLE_FACTORS - posi4 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi4.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi4.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi4.mzXML SUBJECT_SAMPLE_FACTORS - posi5 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi5.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi5.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi5.mzXML SUBJECT_SAMPLE_FACTORS - posi6 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi6.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi6.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi6.mzXML SUBJECT_SAMPLE_FACTORS - posi7 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi7.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi7.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi7.mzXML SUBJECT_SAMPLE_FACTORS - posi8 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi8.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi8.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi8.mzXML SUBJECT_SAMPLE_FACTORS - posi9 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi9.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi9.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi9.mzXML SUBJECT_SAMPLE_FACTORS - posi10 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi10.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi10.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi10.mzXML SUBJECT_SAMPLE_FACTORS - posi11 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi11.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi11.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi11.mzXML SUBJECT_SAMPLE_FACTORS - posi12 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi12.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi12.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi12.mzXML SUBJECT_SAMPLE_FACTORS - posi13 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi13.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi13.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi13.mzXML SUBJECT_SAMPLE_FACTORS - posi14 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi14.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi14.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi14.mzXML SUBJECT_SAMPLE_FACTORS - posi15 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi15.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi15.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi15.mzXML SUBJECT_SAMPLE_FACTORS - posi17 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi17.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi17.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi17.mzXML SUBJECT_SAMPLE_FACTORS - posi18 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi18.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi18.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi18.mzXML SUBJECT_SAMPLE_FACTORS - posi19 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi19.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi19.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi19.mzXML SUBJECT_SAMPLE_FACTORS - posi20 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi20.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi20.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi20.mzXML SUBJECT_SAMPLE_FACTORS - posi21 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi21.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi21.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi21.mzXML SUBJECT_SAMPLE_FACTORS - posi22 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi22.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi22.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi22.mzXML SUBJECT_SAMPLE_FACTORS - posi23 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi23.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi23.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi23.mzXML SUBJECT_SAMPLE_FACTORS - posi24 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi24.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi24.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi24.mzXML SUBJECT_SAMPLE_FACTORS - posi25 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi25.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi25.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi25.mzXML SUBJECT_SAMPLE_FACTORS - posi26 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi26.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi26.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi26.mzXML SUBJECT_SAMPLE_FACTORS - posi27 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi27.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi27.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi27.mzXML SUBJECT_SAMPLE_FACTORS - posi28 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi28.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi28.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi28.mzXML SUBJECT_SAMPLE_FACTORS - posi29 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi29.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi29.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi29.mzXML SUBJECT_SAMPLE_FACTORS - posi30 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi30.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi30.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi30.mzXML SUBJECT_SAMPLE_FACTORS - posi31 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi31.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi31.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi31.mzXML SUBJECT_SAMPLE_FACTORS - posi32 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi32.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi32.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi32.mzXML SUBJECT_SAMPLE_FACTORS - posi33 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi33.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi33.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi33.mzXML SUBJECT_SAMPLE_FACTORS - posi34 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi34.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi34.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi34.mzXML SUBJECT_SAMPLE_FACTORS - posi35 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi35.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi35.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi35.mzXML SUBJECT_SAMPLE_FACTORS - posi36 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi36.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi36.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi36.mzXML SUBJECT_SAMPLE_FACTORS - posi37 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi37.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi37.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi37.mzXML SUBJECT_SAMPLE_FACTORS - posi38 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi38.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi38.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi38.mzXML SUBJECT_SAMPLE_FACTORS - posi39 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi39.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi39.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi39.mzXML SUBJECT_SAMPLE_FACTORS - posi40 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi40.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi40.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi40.mzXML SUBJECT_SAMPLE_FACTORS - posi41 Temperature:RT Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi41.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi41.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi41.mzXML SUBJECT_SAMPLE_FACTORS - posi42 Temperature:4°C Sample type=plasma; Extract Method=lipid; ESI=positive; RAW_FILE_NAME=./arterial_lipids/posi42.mzXML; RAW_FILE_NAME=./arterial_lipids/scan2/posi42.mzXML; RAW_FILE_NAME=./arterial_lipids/scan3/posi42.mzXML #COLLECTION CO:COLLECTION_SUMMARY Blood was collected from indwelling arterial catheters and centrifuged for 15 CO:COLLECTION_SUMMARY minutes at 10,000 x g, followed by plasma collection. Tissues were harvested CO:COLLECTION_SUMMARY from euthanized mice and freeze-clamped in liquid nitrogen. All samples were CO:COLLECTION_SUMMARY stored at -80°C until processing. CO:SAMPLE_TYPE Multiple CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Mice were individually housed without food or nestlets for 6 hours at room TR:TREATMENT_SUMMARY temperature or 4°C. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For extraction of water-soluble metabolites from plasma samples, 200 µl of SP:SAMPLEPREP_SUMMARY methanol was added to 5 µl plasma. This mixture was incubated on ice for 10 SP:SAMPLEPREP_SUMMARY minutes, then centrifuged at 17,000g for 10 minutes at 4°C. The supernatant was SP:SAMPLEPREP_SUMMARY transferred to an MS vial to run on LCMS. For extraction of hydrophobic SP:SAMPLEPREP_SUMMARY metabolites (lipids) from plasma samples, 120 µl of isopropanol kept on dry ice SP:SAMPLEPREP_SUMMARY was added to 3 µl plasma. This mixture was vortexed for 10 seconds and kept on SP:SAMPLEPREP_SUMMARY dry ice for 10 minutes, then centrifuged at 17,000g for 10 minutes at 4°C. The SP:SAMPLEPREP_SUMMARY supernatant was loaded into glass inserts in an MS vial to run on LCMS. For SP:SAMPLEPREP_SUMMARY extraction of water-soluble metabolites from tissue samples, frozen tissues were SP:SAMPLEPREP_SUMMARY first ground to a powder using a cryomill (Restch, Newtown, PA). Extraction SP:SAMPLEPREP_SUMMARY solution kept on ice (40:40:20 methanol:acetonitrile:water) was added to ~10 mg SP:SAMPLEPREP_SUMMARY of ground tissue (40 µl solution per mg tissue), vortexed, and kept on ice for SP:SAMPLEPREP_SUMMARY 10 minutes, then centrifuged at 17,000g for 10 minutes at 4°C. The supernatant SP:SAMPLEPREP_SUMMARY was collected and centrifuged again at the same speed for 10 minutes, and this SP:SAMPLEPREP_SUMMARY second supernatant was transferred to an MS vial to run on LCMS. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Chromatography for hydrophilic compounds CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters XBridge BEH Amide (150 x 2.1mm,2.5um) CH:SOLVENT_A 95% water/5% acetonitrile; 20 mM ammonium acetate; mM ammonium hydroxide, pH CH:SOLVENT_A 9.45) CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT 0 min, 85% B; 2 min, 85% B; 3 min, 80% B; 5 min, 80% B; 6 min, 75% B; 7 min, 75% CH:FLOW_GRADIENT B; 8 min, 70% B; 9 min, 70% B; 10 min, 50% B; 12 min, 50% B; 13 min, 25% B; 16 CH:FLOW_GRADIENT min, 25% B; 18 min, 0% B; 23 min, 0% B; 24 min, 85% B; and 30 min, 85% B. CH:FLOW_RATE 150 uL/min CH:COLUMN_TEMPERATURE 35 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Processing performed in El-Maven #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Intensity MS_METABOLITE_DATA_START Samples neg-1 neg-3 neg-5 neg-7 neg-9 neg-11 neg-13 neg-15 neg-17 neg-19 neg-21 neg-23 neg-25 neg-27 neg-29 neg-31 neg-33 neg-35 neg-37 neg-39 neg-2 neg-4 neg-6 neg-8 neg-10 neg-12 neg-14 neg-18 neg-20 neg-22 neg-24 neg-26 neg-28 neg-30 neg-32 neg-34 neg-36 neg-38 neg-40 neg-41 neg-42 BAT1 BAT2 BAT3 BAT4 BAT5 BAT6 BAT7 BAT8 BAT9 BAT10 BAT11 BAT12 Liver1 Liver2 Liver3 Liver4 Liver5 Liver6 Liver7 Liver8 Liver9 Liver10 Liver11 Liver12 Quad1 Quad2 Quad3 Quad4 Quad5 Quad6 Quad7 Quad8 Quad9 Quad10 Quad11 Quad12 Heart1 Heart2 Heart3 Heart4 Heart5 Heart6 Heart7 Heart8 Heart9 Heart10 Heart11 Heart12 Diaphragm1 Diaphragm2 Diaphragm3 Diaphragm4 Diaphragm5 Diaphragm6 Diaphragm7 Diaphragm8 Diaphragm9 Diaphragm10 Diaphragm11 Diaphragm12 gWAT1 gWAT2 gWAT3 gWAT4 gWAT5 gWAT6 gWAT7 gWAT8 gWAT9 gWAT10 gWAT11 gWAT12 Factors Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:RT Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C Temperature:RT Temperature:4°C (R)-(+)-2-Pyrrolidone-5-carboxylic acid 152985.56 127734.71 130357.16 222515.88 141324.92 173202.77 100624.51 116712.73 153448.83 148448.31 155386.89 119889.88 528316.19 484832.66 372282.16 569814.62 649977.56 556518.94 426680.28 421811 590651.81 532889.56 444403.16 401458.59 164873.83 179813.95 148840.09 184186.45 164236.48 226417.14 224869.73 212823.11 154043.2 161048.77 164179.72 153826.31 2-aminobutyrate 4982.459 10729.8 10612.43 5062.798 4814.492 3635.646 4508.181 3645.636 5241.248 5922.104 9374.577 3709.237 4182.175 4239.54 3901.579 3782.266 5029.06 3549.089 13939.14 9210.572 15291.72 15062.18 10526.95 9458.021 8303.66 9323.987 11239.49 9168.283 28795.27 11895.97 16514.59 8120.831 7168.139 8387.874 10796.8 10294.08 11971.72 3446.578 5916.927 13310.9 11817.47 2-dehydrogluconate 37257.37 32307.08 33740.09 23552.55 43079.23 28817.24 16096.79 17629.37 22511.6 19425.4 22606.53 13411.03 14253.79 18830.22 26249.85 29006.33 22917.79 25376.55 45779.77 34217.33 48791.73 32630.09 41156.37 35397.5 23149.8 12505.31 38782.06 22199.13 36177.78 17117.79 35097.78 27430.56 21708.7 30329.92 46067.95 45864.41 44915.15 28554.81 29627.08 35092.71 29241.14 20741.33 14503.18 17383.54 19178.24 18163.01 19015.62 17446.23 12747.36 12798.6 15996.84 18476.62 14860.77 554162.19 527348 312280.09 424939.66 580968.56 539449.56 456772.34 506464.88 713001.94 593687.25 501287.25 464872.09 3061.14 5662.34 3101.59 6497.96 3795.82 1789.29 4432.7 4203.93 3298.5 1416.77 5271.31 3853.29 140761.3 201023.8 164806.7 36872.32 146099 33240.1 223840.8 342191.4 305914.4 158571.6 165497.2 48700.19 2-Deoxy-D-ribose 115419.8 154477.5 84012.38 173971.1 105132 142238.3 175618.1 177855.4 162249.1 110211.9 151903.1 129210.5 2-hydroxy-b-methylvalerate 647875.7 1174019 1785048 441156 507568 489292.5 532433.6 744603.9 779304.5 763416.8 678579.3 416395.4 646655.7 539605.9 472147.3 514322.8 543293.2 388937.1 638716.2 849769.2 518345.2 443205.4 650291 697394.4 591549.1 721194.3 942044.4 613682.5 540729.5 476153.5 360092.5 762649 395632 496494.7 428816.5 570691.1 677822.4 837105.2 1016962 908068.8 1200686 2-Hydroxybutyric acid 332724.5 582058.5 440798.6 136219.2 237132.2 111025.4 163075.5 131575.8 154604.4 264559.6 679456.5 340353.6 166829 117726.5 110499.5 134383.9 122055.7 152523.4 1951392 1365139 2070406 2206271 1695865 1733560 1555921 1110351 1201625 1002506 1335201 1739881 1767576 1205197 869092.6 840202.7 1041483 1206041 1523587 159107.2 185489.2 1982204 1838940 2-Hydroxycaproic acid 238210.1 626516.2 1122509 320691.7 386683.6 239040.4 287983.2 241127.9 224925 350458 433278.3 283574.1 500233 259706.3 180219.2 219939 351497 334635.8 336102 178190.6 331363.3 338928.1 406959.6 283930.9 274629.3 323327.3 347362.7 200734.6 96995.12 279876.6 313356 333835.3 114676.2 150953.1 154833.9 262656.2 339032.6 144030.8 173600.4 320062.9 309686.6 172571.8 105414.6 140399.78 117505.09 104308.16 101214.62 176215.12 181433.19 182058.39 196028.08 211220.88 188778.27 121665.45 106689.18 85464.77 84520.6 82361.25 80588.96 119218.27 106474.77 119094.91 117403 121273.27 140172.3 107988.73 112184.47 99941.18 132254.33 110248.97 91450.24 135127.81 128591.23 129588.06 143876.73 188300.62 151796.39 2-Hydroxydecanedioic acid 23850.78 11187.74 11916.47 13482.41 24181.89 17522.03 14369.96 12505.7 11799.07 9686.396 17144.37 16924.26 10635.64 12474.1 10510.67 14188.49 7134.431 10415 55459.38 79925.56 51299.11 43774.7 31453.58 49391.56 31013.26 21092.93 60658.86 33644.79 57068.92 39609.15 54403.68 54881.34 38724.27 34522.3 38111.71 19313.19 40148.57 23536.34 19467.78 99889.72 82722.75 2-hydroxyglutarate 242372.39 164629.33 269125.69 234210.3 189993.56 225289.69 337514.03 336340.75 326038.59 336312.88 430322.53 320907.28 265006.41 199529.36 115051.96 181782.36 189114.64 215410.75 196765.67 213760.95 375444.53 215275.33 167322.05 189069.7 79082.1 88604.98 70435.53 67629.98 70954.38 75340.54 121128.77 130204.84 138121.98 106006.34 109410.16 121275.01 644492.8 1108645 620850.1 1299370 551208.8 1136831 456183.8 890261.7 439989.9 1084822 500305 1260862 2-Hydroxyoctanoic acid 18952.51 15265.74 7303.338 14365.91 31522.52 10541.36 16729.63 9440.696 11544.49 15854.58 17397.15 20988.17 12897.35 13435.67 11624.1 12496.68 33228.17 22498.21 51870.9 34340.24 52843.1 39281.69 46670.42 50787.92 37466.54 26689.81 35622.88 27341.06 21025.47 43830.39 62749.04 44693.86 19487.83 23088.98 35421.14 41151.23 51345.69 18013.11 10679.12 63473.12 50083.57 2-Hydroxyvaleric acid 4324698 5985156 6950116 3133372 3023952 2875341 2463550 3412327 3648683 4609382 3359561 3001580 5017718 3423632 3237553 3733002 3483357 2842984 3918695 3008106 5054394 3810256 3856382 3580226 3944165 3287405 3074275 4454582 3568932 4467960 3704192 4167028 2949907 3743132 3759446 3350998 3947518 3311026 3021253 3905425 4218174 576363.88 345753.75 439034.25 339928.41 375497.34 340530.38 568024.06 549985.31 565793 631052.19 629066.38 577275.19 594721.69 428755.03 326180.72 368308.91 423776.84 388113.47 638492.62 601853.31 702205.69 586659.44 687378.44 736806 646488.69 501237.09 461293.66 555218.56 568020.69 433100.66 598034.31 569280.75 565869.56 558872.19 654270.19 634931.56 2-keto-isocaproate 269348.06 198554.38 254188.45 168675.66 175544.08 205149.92 393030.5 664690.25 1671924.62 609692.06 363207.38 517886.03 263261.5 291400.47 169948.05 142547.45 154477.84 193965.77 321388.41 340653.91 534125.19 407116.88 224329.25 498040.62 1385442.12 1611079.12 1248609 2197612.75 1518550.5 1229847 1092995.88 1077283.25 1027008.69 635396.81 1461639 1587721.12 2-keto-isovalerate 1068909 1279629 851886.4 974902.3 924053.9 600337.6 1012514 670763.6 891722.3 885382 983955.3 1122514 632800.6 997027.4 751891.3 693217.3 995811 1129521 1392358 1261808 1416210 1317272 1625560 1816578 1204788 1103912 944135.8 1144831 1083899 1371344 1389558 1272644 1048228 841036.5 975865.5 1049049 1185109 1018265 977431.2 1559745 1195969 2-Methyl-3-ketovaleric acid 2312889 3656436 2336110 2027918 1674078 872673 1897845 1410170 1666651 1872842 3070378 1417831 1267700 1923444 1655054 1383591 1614356 1958606 3104289 3033889 2922337 2824288 3223592 3527967 2575695 1998306 1842073 3162775 2134610 2985526 3326452 2760700 2664484 1876343 1961933 1968474 2331726 1886570 2422280 4112909 3153512 2-Methylbutyrlglycine 9976.312 11139.71 12733.43 8283.3 9276.653 8291.093 7672.962 8114.429 8527.945 7605.851 7932.482 3371.777 5694.861 9056.974 9047.927 7439.484 1312.887 5482.466 20114.78 805.6937 12965.9 9682.953 18785.38 17427.89 14360.8 12527.31 13292.97 9322.958 11679.04 6736.07 13050.45 8861.103 9064.872 6147.968 11821.61 29104.98 22416.9 678.7282 18878.51 48882.02 44484.97 2-octenoylglycine 196310.9 133923.4 70906.69 108047.7 136747.1 100951.3 105884 134706.7 140228.2 111849.7 156183 97679.59 61182.36 150533.7 102406.6 141041.4 95589.12 78895.45 232525.8 240893.7 254191.3 188628.3 168878.8 256776.8 252860.9 40413.03 314207.8 257567 193686.7 109109.6 163791.6 193290.9 240771.8 231873.6 331855.5 275713.4 220273.3 229113 218726.6 348913.2 251578.4 2-Oxoisopentanoic acid 1068909 1279629 851886.4 974902.3 924053.9 600337.6 1012514 670763.6 891722.3 885382 983955.3 1122514 632800.6 997027.4 751891.3 693217.3 995811 1129521 1392358 1261808 1416210 1317272 1625560 1816578 1204788 1103912 944135.8 1144831 1083899 1371344 1389558 1272644 1048228 841036.5 975865.5 1049049 1185109 1018265 977431.2 1559745 1195969 2-Phenylpropionic acid 15094.06 21922 22631.4 45519.96 20178.82 18491.25 36416.73 21840.78 19209.94 54781.67 32463.56 67505.78 74745.12 28109.31 39686.99 36598.67 37758.19 36009.27 34566.28 46355.52 15397.08 18635.96 21139.65 19373.53 18210.97 16514.6 20679.96 16488.08 38339.59 28252.11 40970.44 21321.81 21404.9 25207.77 23194.93 63013.78 34359.65 37216.51 39058.94 51410.58 52511.27 2'_3'-Anhydroadenosine 244418.89 253950.48 178792.45 220992.89 245425.38 366011.28 372114.59 461962 337891.91 294036.84 320180.41 350432.16 3-Aminobutyric acid 43323.11 59573.61 68602.98 112989.41 100312.77 85125.28 56875 41314.66 26177.78 48303.17 64680.66 29569.55 133669.05 108487.48 74395.05 82448.09 110943.43 98943.22 146538.23 126665.15 187639.89 166866.64 196105.7 115442.76 42703.17 35810.03 47984.19 53244.44 40435.24 40875.22 44872.2 45782.32 63862.95 61360.04 51163.41 47604.5 3-Dehydrocholate 4222.22 1552.07 1876.89 782.21 8804.67 1206.12 5279.82 4868.48 4458.72 3482.26 9725.53 5651.67 129086.9 73688.79 24583.3 105534.18 555941.19 18121.61 116647 521063.03 240274.67 177038.77 35465.17 33454.39 915.51 436.85 5529.98 595.77 38184.11 35707.82 1158.27 4620.93 939.92 14583.43 1280.15 5059.56 3-hydroxy-3-methyl-Glutaric acid 207487.52 187004.92 228012.58 242894.45 188191.02 222482.2 305103.22 310763.5 167316.94 264840.41 275911.38 224607.45 2939951.25 3026835.75 1988003.62 2708996.75 2765936.25 3080626 1562542.38 2552270 3752223.25 3135594.75 1040248.94 1913778.62 107419.68 225965.89 103680.41 125275 127816.73 135031.95 131629.27 194687.33 147606.77 130383.62 117963.79 122281.87 3-Hydroxybenzoic acid 11774.11 10619.97 5492.093 11074.59 43557.17 12515.33 8626.723 9381.375 7314.234 9234.897 2437.583 11371.49 9361.911 6085.979 7464.329 6596.146 9169.418 7209.039 8526.723 10346.59 14238.07 13525.16 8714.057 8059.763 6175.391 7368.305 9125.84 7598.338 8986.937 8193.922 6752.305 4659.644 7320.221 5804 5856.521 6644.333 5761.455 9464.637 9258.341 7066.638 10130.5 3-hydroxybutyrate 603572.94 558222.19 595084.56 559001.31 482944.16 523812.66 2378884.25 2839342 2676771.75 2721832.5 2931270 2468701.25 2202187.75 2248953.25 1668779 1249171.88 1176042.62 2028449.62 6444210.5 4449765.5 7026548 4151741.25 6349927.5 7989414 324524.97 539988.56 341543.34 362344.66 313906.78 377029.16 1911938.12 1684233.38 1602343 1519006.62 1995558 1840125.5 643193.2 4310797 1015616 3569939 533740.1 4171056 943310.3 3608921 536421.2 4873126 606869.4 3965697 9878888 35374330 8658871 30982420 9847661 30299790 9103455 35797490 7389148 33425050 8745270 34158830 67953.38 349571.3 67279.78 434206 98014.41 429146.7 111736.6 492691.1 58018.8 838870 69483.52 733852.6 3-hydroxycinnamate 7534.73 19539.06 18205.63 12260.42 14506.37 8487.122 12201.78 7909.017 9118.535 3788.598 8555.702 3327.522 5834.388 10044.83 10526.95 8622.719 6694.205 7754.385 14128.74 10824.96 10769.73 9211.193 14463.93 12537.98 10541.38 4563.438 11280.75 7084.489 8132.892 6015.285 8315.365 10396.6 10644.39 5393.167 13196.27 9249.187 11354.86 4282.314 12783.66 10073.28 4881.767 3-hydroxyisobutyrate 1252194 563168.4 335982.7 241662.9 431345.7 301052.7 279551 396201.2 595769 548485.2 914208.9 392485.8 331917.7 276095.2 213961 461478.9 317931.5 219040.7 1150597 1065037 1468387 1583594 945275.3 1175039 1205895 759505.7 1250329 1100174 1245458 934631.3 1200944 1132254 963554.2 655643 1352134 894134.8 979706.2 326592.4 287282.3 1530625 1258824 3-Hydroxyisovaleric acid 92148.56 14756.77 33440.46 46585.19 36718.93 32639.51 98510.93 101358.44 72213.29 117374.82 126866.21 84695.27 38988.43 32637.44 32809.37 50886.57 41391.79 33253.98 58579.37 72655.27 95245.84 71443.53 126722.69 89089.27 6921.26 4376.09 6649.7 7489.44 8918.89 8117.29 11555 10620.5 11743.77 11990.12 18114.51 13872.01 3-hydroxylbutyrate 3460250 1959579 938694.8 795373 1611143 717978.9 1056701 1254782 1626952 2320123 3664627 1540677 915763.5 576043.9 602620.3 1537659 1039807 924213 5500788 2900206 5454448 8087576 5757714 5698840 6265474 3830015 5533339 4511196 3798064 6212788 5025644 3827729 2683532 2929173 4293410 3480231 4962898 1690525 871869.5 6156260 6351358 3-hydroxypentadecanoic acid isomer 6192.932 5217.406 4560.308 8735.774 20621.35 4772.149 5451.617 4953.094 10466.86 8370.946 6846.428 19496.33 6102.486 3010.58 3072.715 4285.508 8450.788 3381.069 9724.349 0 27081.46 22091.62 18718.33 24099.83 15068.01 5970.98 14008.73 6336.476 23506.47 12512 22895.36 32669.03 15033.26 13819.94 0 19481.74 0 13577.97 6123.738 15247.29 18237.75 3-Indolepropionic acid 77183.97 68819.26 66854.12 91049.84 36394.58 59658.2 18738.24 19824.53 21887.57 35739.26 40341.58 35917.33 107123.8 83846.88 75039.78 83307.53 16158.91 117949.7 87154.95 46676.52 51416.25 111254.1 58958.48 44220.72 58038.07 9267.907 27091.05 11797.77 9910.805 10305.47 18054.65 17088.79 14803.44 64402.22 78130.55 56505.72 51564.25 37334.66 46300.16 35260.68 21456.73 3-Indoxyl sulfate 3030939 5230768 4386708 2682691 3044425 2480644 4544462 3320966 3603966 2960898 2215795 1193389 12549510 2009097 3971279 2679492 1364604 1773672 3955027 1964926 2494978 1459271 1673961 1912383 2103620 736096.7 3096081 1467122 5642462 842592.7 684617.8 2268428 1647577 1531126 1881668 1238349 794698.4 2645372 4011683 1787035 502973.2 3-Methyladipic acid 10020.46 11375.7 6992.521 7119.294 15109.73 7322.674 7873.705 5976.735 6341.142 6440.33 4578.26 6304.811 8762.852 5614.905 6491.385 7612.355 0 9046.001 21415.35 1786.465 14147.32 7044.475 10075.98 12618.2 9268.422 8767.315 11843.78 9970.913 0 8389.98 10068.59 14339.82 9735.121 0 0 5155.342 6754.811 1137.421 1434.394 2754.676 1101.881 3-Methylglutaconic Acid 9955.093 14498.58 6980.384 6679.117 7375.406 7135.313 5953.777 6698.23 8826.1 9553.944 10103.4 5210.285 4775.222 6260.74 7172.536 6779.554 0 2950.106 42873.18 1684.88 45724.99 58776.32 25839.6 32485.83 21973.15 25767.12 17729.05 28612.85 40285.6 36532.91 35869.64 26856.3 26589.91 38382.57 53555.41 38839.53 38211.74 4006.228 2521.229 7472.901 3696.743 232035.77 204780.3 253986.89 257211.75 208805.67 239511.08 278466.66 331433.06 168558.73 270705.5 258068.86 223837.17 2260544 2412385.25 1625505.38 2160179 2178400.75 2351444.25 1260232.5 1896863.38 2718920.75 2203449.75 755948 1442582.12 124155.84 288510.97 134672.69 159834.28 165383.83 176421.31 167770.64 250604.88 196790.7 167661.5 143781.8 162183.66 3-Methylindole 22277.31 19112.21 21054.56 22197.01 23404.09 21838.87 33835.55 42151.11 34974.96 33084 38667.33 35130.46 15805.76 23398.38 15268.94 15023.42 24784.82 25945.33 21868.54 31736.37 19362.47 27340.8 38532.19 26621.89 13912.83 30852.36 21993.58 22020.71 25308.38 22055.12 48402.36 53073.1 48815.86 41566.25 60307.52 57352.97 3-Phenylpropionate 253678.7 115248.7 149239 142745 144316.1 277481.4 138665.5 147083.8 130532.9 136694.5 111714.4 125880 3-Phenylpropionic acid 15094.06 21922 22631.4 45519.96 20178.82 18491.25 36416.73 21840.78 19209.94 54781.67 32463.56 67505.78 74745.12 28109.31 39686.99 36598.67 37760.72 36010.46 34566.3 46357.06 15397.39 18635.96 21139.65 19374.3 18210.97 16514.6 20679.96 16488.08 38339.59 28252.11 40970.44 21321.81 21404.9 25207.77 23195.58 63015.7 34361.48 37216.67 39059.45 51410.58 52511.27 3-Ureidopropionic acid 4917.282 9439.062 3359.381 5666.152 4959.625 3575.91 4820.241 2926.833 3448.915 2067.149 5024.771 2820.27 2402.833 4793.675 10491.72 3852.013 6816.248 2869.367 26778.51 42325.61 33747.44 20900.57 22804.65 36155.51 16015.78 50513.56 13060.4 15058.28 26204.44 31517.62 28356.14 57971.81 22207.84 24877.43 20724.37 23903.6 47488.87 3197.946 4229.348 32125.88 44982.47 4561.95 5240.55 3416.62 5401.86 5472.24 7858.1 19506.41 21272.41 16343.61 16209.95 25977.22 15186.38 4-Acetamidobutyric acid 21564.39 11880.74 13686.21 16812.24 10222.7 14888.57 64118.71 51328.75 35808.3 57148.29 70647.38 40428.45 526981.81 528652.06 397185.09 421864.66 457400.38 720326.56 605287.75 918723.81 1001976.19 1017244.81 541247.06 656426.56 4-Cresol 8582.605 16053.18 21242.71 51633.74 4343.323 31243.95 126648.8 34410.43 106586.3 4121.298 23342.27 1148.214 27428.04 55792.75 121052.3 69043.37 0 46028.75 0 0 11569.69 24145.32 1845.055 7489.815 19558.55 8042.254 130330.1 80918.66 14684.56 1939.526 16697.47 9395.911 2254.031 53034.97 88339.52 15231.7 0 72334.1 0 44596.22 0 4-formyl Indole 11188.84 50437.7 46626.7 15263.87 15512.03 12928.97 23429.37 17554.12 17165.81 24371.23 28757.73 20659.72 17524.74 18940.17 21383.09 25044.22 43348.5 15904.76 14573.21 0 21368.99 26121.68 22356.99 23424.33 21500.53 4164.981 14397.3 14677.77 54954.38 9230.879 10330.21 11802.5 24972.1 24402.22 34731.39 30321.98 13390.59 13363.24 0 15626.47 8397.911 1197630 1252495 1414798 1549336 1320116 1719474 1338764 1042335 1132720 1214097 1436509 2194488 4-hydroxybutyrate 464099.16 417970.34 416015 462264.88 487952.66 465610.53 405144.88 454751.34 471210.66 606938 366131.72 349558.09 53085.39 136928.08 39931.23 93319.31 39771.73 56919.78 60339.27 101811.46 131065.16 82549.84 63886.77 132859.14 43868.04 69159.02 36460.97 31718.72 34597.48 47251.23 63230.17 202126.94 43394.22 123553.91 62388.12 238909.2 4-Hydroxycinnamyl aldehyde 16180.78 22207.86 17109.64 7942.84 16141.98 9763.783 7426.041 12014.9 20363.48 16440.32 13774.74 7480.311 14007.43 12229.89 10428.67 10373.68 11987 10246.78 8176.294 19517.05 19187.48 19491.97 12833.75 19531.71 12262.07 7411.613 46706.21 16479.88 21870.78 6829.637 7111.291 15586.86 19632.05 17637.79 19839.39 11867.3 8666.644 18660.83 22245.85 19005.41 27239.49 4-hydroxyphenylpropionate 48892.27 60136.36 54095.98 23088.26 17702.87 17637.39 15459.57 19421.21 39614.38 29966.63 38309.8 22373.41 15580.73 23578.01 25786.98 27717.56 24773.01 9436.174 25033.36 25465.6 54149.21 72441.34 34142.68 22085.43 18027.25 18608.53 16200.94 38477.73 36496.93 25901.96 16374.97 13449.92 30524.73 18530.24 16941.16 37519.92 25734.89 26606.48 28166.66 27553.94 25858.4 4-Methylvaleric acid 264353.3 342876.3 528870.8 253294 324755.2 234383.9 348879.6 253707.8 273450.2 299716.9 361671.2 330689.5 260426 261656.9 262442.9 288303.1 356592.8 380144.8 514979.2 305442.9 332392.1 390537.8 415973.8 246977.3 307596.7 249611.9 311638 243510.2 190871.5 324039.1 318950.5 260595.8 215414.6 233690.3 401363 356197.3 339501 274718.1 259136.6 395398.5 322072.5 4-Pyridoxic acid 95766.96 113181.7 97116.04 70948.54 96454.41 56226.67 127166.5 203528.5 146792.7 110532.5 357076.2 93237.87 5_6-Dihydrouridine 30378.54 38139.97 26182.6 25645.96 30812.54 29770.79 26297.43 28964.94 35925.08 23445 23918.64 20961.03 25088.45 30605.29 26392.85 28392.09 29727.26 23389.47 21553.29 25089.97 34172.24 28044.68 23223.53 32253.32 24638.34 21906.88 34911.16 24280.22 25478.64 21746.31 28176.05 29019.02 28269.02 24823.33 24982.84 27470.18 27309.27 23725.45 30190.92 0 21035.87 39129.75 40409.64 46306.75 39005.08 48938.12 42761.32 51818.55 27043.63 43661.55 55000.44 44665.79 37844.4 5_6-Dihydroxyprostaglandin F1a 48297.52 34720.68 22918.36 37282.98 27204.48 32509.2 119922.02 82153.3 91182.66 84283.62 110609.52 110118.03 26439.06 21639.15 20102.18 13085.09 33284.91 36575.17 38011.71 11371.92 22422.88 18142.31 207961.83 26439.66 11382.44 18171.01 12237.48 13076.53 14382.39 8983.21 13457.97 7558.07 19713.07 15554.7 15013.6 11849.43 5-aminovaleric acid 5333.076 6667.771 5226.082 9559.904 5863.033 8082.069 7801.161 6724.291 5688.418 9495.414 7282.073 10893 7110.168 8986.577 10490.85 10078.45 8757.569 5945.35 5857.809 2435.378 6916.118 6982.312 6293.404 5514.957 4199.315 4758.074 7444.73 7011.026 10306.05 4560.864 8374.698 4819.048 5065.337 6609.672 7822.064 5829.758 7027.459 2893.974 14361.65 2495.201 0 5-Hydroxyindole-3-acetic acid 2501.693 6756.082 4449.656 2728.243 3638.185 1687.113 2837.986 3199.265 2954.085 4885.522 6526.426 5317.183 10373.82 7738.64 2667.724 1896.086 3745.753 6727.461 4029.784 306.6109 3328.783 2156.547 3059.115 893.857 2015.857 2112.64 1964.144 1697.31 2626.79 6298.119 2809.793 3954.07 1730.179 2099.994 2154.467 2239.645 1567.633 3814.784 1678.296 1697.792 315.7173 6-beta-hydrocortisol 6049.03 269.71 4457.41 4715.38 217.98 918.9 2278.42 6078.79 1163.02 1607.94 1694.18 2016.87 279980.38 216545.23 120493.41 194494.38 267563.47 218072.19 208819.55 196517.42 263693.88 244672.12 149760.73 170265.05 2736.6 1483.88 332.28 1771.39 740.48 1782.91 8213.85 2797.18 2161.65 1198.96 1611.14 2196.71 a-ketoglutarate 293355.9 79135.17 98900.73 128590.4 125116.8 102581 145683.6 87503.1 110905.6 167291.4 89378.98 213808 91283.57 113036.4 109625.4 134236.3 76912.38 202730.3 329381.7 72955.66 231914.6 106121.4 178344.6 273597.1 269569.7 56558.67 169782.4 178912.3 77471.87 172638.7 330969 134198.9 137744.6 157588.2 166463.6 151546.9 177601.9 92216.37 107637.6 91953.87 131031.5 7.244061486 9.160715112 11.77372398 14.79305853 8.672273474 14.34612499 12.7130062 14.34153077 15.48257695 12.55441979 14.43806358 15.88239988 70.17416868 32.58615645 19.53795559 17.83772885 27.37980096 22.16404196 28.40280557 9.735235772 48.53740375 18.88551309 7.598416262 16.3853484 35.50993144 28.80563832 21.08761006 21.92777077 15.41683537 16.04298483 7.639888354 13.56897114 15.46355586 7.271092716 9.585834814 23.74224207 acetoacetate 365734.8 411445.7 358919.2 414842.6 377613.5 415173.6 404146.2 460995.5 378705.2 470617.9 363981.1 411775.1 acetyl carnitine 26675.26 21018.38 29643.07 34299.43 26832.03 32621.03 27475.64 32006.89 33525.19 30443.44 46252.69 21745.3 12569.33 8071.91 6147.18 7689.17 7549.57 9841.54 8635.99 14191.73 22666.16 14449.59 6589.45 14671.35 7893.94 11617.19 5976.28 7012.89 10223.69 7621.5 12916.63 13520.11 11313.93 9542.33 10795.54 7656.88 227954.8 168621 173531.1 196917.5 128063.5 184856.4 182545.9 177153 189987.2 155547.8 143845.2 143869.4 Acetyl-CoA 70779.4 34882.3 66152.49 44930.82 52516.23 57275.96 120898.2 53732.7 105395.5 17742.65 54411.3 19110.55 Acetylglycine 72781.64 59144.19 87844.88 81805.7 49377.65 80071.09 108130.68 107819.01 125630.79 157384.83 126486.03 103097.75 208587.02 187906.86 162097.2 169772.61 134008.95 230630.83 254652.95 258134.3 409988.25 342010.53 240253.67 259324.94 50197.62 61555.22 73257.16 77835.8 48862.25 60787.56 71584.88 61103.03 78567.22 75190.04 77237.6 54787.73 139910.4 260144 172887.1 194662.9 206031.7 252779.5 185057 277728.6 123770.7 242718.7 160679.6 195773.8 520393.6 754099.2 542507.8 614140.7 701297.8 677379.1 665762.1 948031.1 404137.7 634810.8 599745.2 607541.8 19163.45 29402.31 12309.41 34604.94 27953.82 36893.63 32291.16 52299.03 13591.45 60363.62 14233.23 44175.75 acetylphosphate 10275.44 20795.16 20709.42 14040.43 16301.28 14980.5 6771.6 12125.19 9468.53 9849.74 6849.12 10120.62 18533.62 22597.02 22170.53 25532.79 23864.24 19847.01 11988.82 15304.96 28173.13 27917.95 6475.85 13280.64 122718 135526.38 74884.2 89963.09 97414.99 128391.75 123840.23 136325.73 147595.92 119596.74 87685.29 124251.62 aconitate 560231.44 291079.09 691127.25 637172.88 366466.53 523658.97 975042.81 1218775 1050412.62 1140833.12 1092031.62 944871.25 347722.66 308868.12 201353.62 220408.25 277433 137284.36 121557.25 99842.09 436551 189162 137499.39 191271.17 186023.55 199048.67 198924.44 333260.97 234204.45 209290.08 241663.45 275193.66 315067.34 275148.91 244754.98 190389.2 257980.1 152932.1 140528.8 192144.9 165226.6 224027.7 176702 238460.5 302052 146132.1 185076.6 150848 4967430 7530956 7233418 9065246 7311952 9181485 5522936 4085615 4940348 7709696 3719100 7235906 8397.592 19964.83 22059.12 12153.62 13294.95 7576.74 10456.49 10193.94 6298.865 8509.418 2742.091 7697.824 Aconitic acid 211295.4 121883 95499.28 84633.7 113284.6 89913.88 83200.87 116174.5 128282.2 100895.9 98500.1 102541.1 105795.2 69835.6 83188.13 120757.3 113435.1 99697.94 77560.12 143579.9 125234 125078.4 103904.3 162129.9 95178.62 109818.2 145342.7 141635.3 75909.13 83831.34 124942 83440.59 103200 80858.9 128243.1 146598 166255.8 252571.3 185541.2 166350.2 214827 adenine 1700.742 4789.458 3074.537 2014.41 843.596 471.3857 3153.803 1512.164 1013.069 2151.894 1263.62 2086.093 1377.484 905.721 1578.36 2863.88 1388.986 1122.076 1085.599 3557.059 2178.826 6444.757 2129.056 3868.965 2354.779 971.1812 2631.98 1236.312 639.3624 1755.571 3120.62 1800.042 4439.372 2021.873 2730.908 1980.018 3679.904 1419.731 3611.815 2091.086 2233.435 445273.5 356237.12 381478.25 412545.97 397490.25 426364.09 418554.16 390625.59 403780.84 375573.88 427068.25 356431.03 545036.69 432580.53 433564.72 452139.72 439428.25 437516.12 619762.56 511812 580800.75 577067.19 746621.31 568026.5 186552.61 229982.88 234594.58 227782.81 210343.89 223828.73 238349.12 242137.88 287623 222328.8 220721.2 217768.45 535940.6 681040.3 447364.5 1096899 430072.1 570118.8 727138.9 1207024 603001.8 469595 884338.6 607244.1 adenosine 845.4346 2812.508 1498.23 680.1794 472.5927 497.5542 1822.174 394.067 1349.654 385.7406 576.6901 772.5317 269.5326 876.522 162.185 1485.103 612.0632 258.3873 855.1792 2238.433 1626.667 3807.562 957.6086 2402.444 275.6744 122.6776 1172.136 900.8689 254.7467 773.947 1144.108 820.1569 1473.396 1473.63 699.2791 655.8928 1879.224 848.7453 612.0173 1177.793 1924.816 129650.65 113375.87 98299.15 114749.6 77590.99 100549.44 63866.78 122767.32 127124.84 117353.96 90393.41 60216.43 455829.41 339922.72 266699.09 348162.38 325410.88 340809.66 473753 438598.66 519396.91 500300.16 442601.97 463990 20674.68 36194.86 16544.33 12773.66 13249.67 16274.52 27622.15 44335.6 56518.69 21775.1 29715.31 18839.74 3055300 5617540 4291314 4795784 3857406 4723792 4344262 4021982 3270616 5146790 3492242 7283616 454594.9 862710.3 457925.2 1123120 556895.4 539731.6 569778.8 1085651 342361 850403.8 679889.8 703156.3 20071.51 27464.33 15049.99 15468.03 43535.2 43959.67 67196.81 37085.53 29078.95 97437.99 29671.05 47161.11 Adonitol 5162.672 5921.612 4298.602 2847.204 7984.613 3632.042 3002.984 3295.396 3910.072 3260.072 3359.213 3425.361 3407.925 3151.46 3807.768 4619.927 4337.107 3750.484 4852.849 3663.208 6866.281 4901.596 4095.435 4518.885 4304.366 4613.531 4175.581 4126.526 6068.005 3522.15 4576.833 5368.227 3627.781 5972.211 5191.803 3885.999 3941.842 2915.818 4344.529 3641.587 3401.763 ADP 227765.19 203994.48 197551.14 140304.84 166490.86 140616.44 116577.9 140927.88 140188.02 160986.41 137096.88 93029.84 1828338.5 1115806 1406643.62 1541224.38 1381705.75 1390901.88 892134.19 1033423.31 2353739.25 1618319.38 884061.5 1421097.5 1037421.44 594227.5 1303716.38 1280655.5 825410.44 1086282.62 1598624.88 472963.12 836443.19 775562.25 731377.44 944340.94 2696456 2894844 1916249 1889500 2636964 2573672 2492718 2920687 3082940 1331529 2261624 2282562 2674080 2008416 3582504 1889823 1578667 3165482 2581918 1205316 2416090 1366477 1058727 825535.8 22289.16 13030.61 9313.017 10625.16 15241.94 7332.337 18784.79 14841.23 11027.21 16568.08 8455.487 14758.48 ADP-ribose 108303.02 149942.42 65768.56 51021.52 54451.72 41068.62 46280.42 111403.26 88095.7 45911.23 63755.71 72811.47 50413.64 62610.02 44926.29 90621.75 36951.39 30185.07 112968.72 184677.56 39551.33 87264.74 54415.64 106901.5 12664.36 10909.85 10717.24 9576.69 10250.98 9996.46 14980 11731.14 16513.47 9720.39 10510.28 9290.24 Ala-Ala 608.7422 1083.31 1449.921 2592.43 3071.042 2126.049 1600.85 651.0106 1465.65 677.8064 855.389 390.7818 1162.381 1738.016 1744.537 1512.955 705.5563 2302.152 919.6411 1259.912 463.8826 551.0706 680.152 1279.858 1033.705 841.6691 1537.368 548.7852 492.1398 1020.296 634.3647 841.5366 606.5502 753.991 693.9336 970.1076 689.3669 1002.516 2094.428 868.6447 485.1071 alanine 360990.1 572074.3 493332.2 409018.1 417734 489542.7 361872.5 309067.4 296828.8 316661.1 398209.5 296329.3 444107.2 453492.3 388783.5 348361.1 487737.4 376934.4 680913.8 461679.7 664715.9 585387.8 542055.6 528046.2 458938.2 447583.6 513459.3 438522.3 635837.5 402919.8 603854.7 452140 505237.3 505465.1 537373.2 563072.6 543335 470618 576316.4 543966.8 573619.6 4375696.5 5471353.5 6020004 4064424 3609390.75 3952126 2626874.75 2780736.25 2984023.75 3224680.25 3317477.25 2627571 1715608 1658746.88 989016.5 1379811.38 1644606 1721249.12 1421084 2021002.62 1984363.5 1735733.88 1084566.12 1339261.62 26445168 30116416 22329630 22243438 23108144 26349354 24978272 31993442 29329096 25879608 24414882 28018478 allantoin 713471.9 1004494 810164.2 668325.2 723167.1 603417.5 558904.1 573236.8 712532.6 503069.5 536383.2 454354.2 620230.8 668332.9 709149.3 602616.2 663887.8 539328.6 761190 742677.9 1074166 765602.2 828155.6 918872.7 748529.8 646676.5 932778.2 650999 599827.5 668668.6 736923 818652 734063.4 730085.2 758255 748510.3 831093.6 574813.4 725718.2 917247.3 870662.1 329101.41 264907.25 253138.17 301711.34 265622.12 285104.97 353440.5 320684.84 251904.45 347942.03 396198.53 277231.25 641626.31 580435.81 315283.25 566354.25 604831.31 468550.62 622190 498055.16 660309.56 573407.38 527313 611749.19 358425.91 370006.66 357306.59 452419.75 350911.28 432287.5 367732.59 356205.53 330202.66 355936.66 374397.16 380701.75 1159763 1179990 977628.9 997991.1 1029712 838660.7 1144895 1005153 1016975 1127730 1051244 977514.8 4287660 4661398 4021576 4123916 4268374 3147549 4711238 4278172 4249909 4385234 4080663 4454012 Allyl hexenoate isomer 79123.59 79464.49 79061.05 88492.04 76279.07 86032.32 70358.7 67419.43 74523.46 68602.88 65849.88 65792.91 alpha-Ketoglutaramate 139577.9 72303 87609.75 72385.93 86170.25 83441.34 107315.3 91198.48 109120.3 82147.31 126339.8 84409.91 220.9081 325.5558 793.3437 552.3147 769.4849 491.3677 991.393 250.8727 269.3253 970.158 702.9074 813.1416 Aminoadipic acid 23288.42 34954.59 11306.21 13858.06 14292.81 11921.28 11228.07 11724.03 15061.27 20291.54 25194.86 7282.049 11091.84 13208.79 20742.26 22087.28 17914.92 18367 199223.4 187944.4 299248.2 224230.7 134992.1 203219.3 93709.35 161057 119164.8 128219.7 438729.1 192964.5 264444.6 128641.5 155428.6 205634.4 287640.8 167867.6 337362.1 18675.93 17733.81 258923.4 234344.6 44931.51 41670.97 38535.25 63724.8 40861.05 49474.62 218436.27 101641.44 61897.65 207045.64 293670.25 169502.83 194319.08 218305.81 116286.2 126574.52 248810.75 203115.42 3963541 3783726.25 2011391.88 3858396 4478717.5 3453561 4541.73 6220.87 4979.45 7508.19 6296.51 6984.28 46525.53 13394.28 9131.41 9679.7 53817.49 17749.01 15696.37 94947.16 10065.36 39885.53 15695.08 20515.67 20860.6 90446.7 12822.88 327652 9279.555 135701.2 Aminolevulinic acid 17735.79 11039.47 8215.887 18480.22 15366.97 19137.55 16278.98 16283.48 17517.49 12065.65 8370.34 10145.22 17313.62 15923.42 14782.84 17608.4 16240.78 13973.62 5555.904 7236.075 5691.689 5479.354 4818.494 7063.693 6774.869 3837.366 5997.882 6364.072 4790.623 3913.731 4223.195 7330.003 5790.382 7754.929 6203.038 7571.972 4685.025 17018.81 21334.46 10825.58 8448.14 279706.2 324569.4 252354 341054.4 225875.8 401073.6 395875.2 280923.9 313510.6 229141.5 295346 271001.5 AMP 4260355 3194633.75 3104762.25 3687744.75 3403119 3962887 3612008.75 4005601 3589580.75 3835519.75 5210974.5 3281532.25 2856081 2559871.25 2430287 3216138.75 2872466.75 2981922 9273399 6768720 6413125.5 4912004 12454331 7256994.5 132882.64 123816.62 89577.9 95150.9 112140.72 116821.62 182763.8 206208.5 194746.95 102067.8 142332.52 118007.09 13051160 21838360 15936900 17995710 22797210 18035730 17353280 19621640 11006590 16528250 16829330 25257910 13602550 16980310 10603610 15997530 10509010 10186020 14409400 17507180 12240760 13951340 11833540 11767350 103860.3 321058 63679.42 61988.36 104060.2 118130.6 200177.3 132841 54941.21 431704.8 107464 429065 Anserine 9272.245 7209.561 13523.45 16945.58 13182.26 12287.7 12210.9 11688.93 8516.786 6423.094 8745.942 9679.077 11721.47 10191.64 6961.318 6935.918 10967.27 17642.65 9260.368 8134.707 7964.375 5800.891 12659.6 13589.7 11276.25 8983.681 10302.8 5620.58 2443.849 8766.262 8342.197 7967.258 6383.233 5051.837 5354.381 12443.46 12496.52 15062.9 13635.51 10937.51 14716.89 13898.93 30187.39 18535.73 10374.13 30354.61 8683.236 14904.95 11169.06 12796.67 118759.6 7161.848 46239.06 anthranilate 40397.05 46656.21 38771.54 45543.22 37902.2 55787.64 62102.65 47217.16 59037.34 28832.2 31531.66 53642.39 Anthranilate 6787.124 5453.281 6357.941 7331.381 7108.527 4809.572 11062.1 7550.906 4247.566 8270.408 4936.862 10005.49 Arachidic acid 2004248 1711670 1182750 1662708 1668967 1417965 1738878 1614766 2001366 1465038 1651109 2332206 1500478 2103582 1898226 1750164 1398783 1541381 2261582 2487455 2423559 1803515 1633416 1683650 2451901 1476078 1621992 2178203 1934918 1464234 1830431 2654722 2196132 1878389 2345602 2104186 2024908 1820937 1746610 2320167 2821551 arginine 39171.1 27339.29 38081.27 51358.86 45706.86 59130.08 42124.45 57463.43 34838.26 43625.75 15383.73 36369.33 70227.56 48097.86 47268.6 22282.35 25177.87 58521.31 31777.94 40431.91 32802.36 14456.57 27875.29 24714.23 26821.93 30060.62 40399.98 35201.95 67125.91 37391.16 62349.71 41627.75 34641.93 22888.32 28785.09 17541.4 43778.73 50470.65 43256.23 57008.31 30320.74 30.56693271 44.29937262 37.25528441 36.85359721 31.39900247 39.9506451 43.4608202 45.39332317 41.94463811 51.9469688 71.66119706 39.45820052 0.889937114 5.772197904 2.250964133 3.450305736 5.003381851 4.999425516 28.30028624 12.27731884 8.589489989 5.999234352 11.43662142 8.279179832 107.9998033 129.5062038 117.7582713 200.052334 155.5663939 202.1526237 277.9490492 294.804277 268.913256 360.8233109 490.4997325 258.8212642 Asp Gly 14434.91 14500.07 11744.48 11815.88 11288.86 13045.7 6490.77 8966.57 10566.46 13679.76 13519.48 7792.77 35707.04 43826.24 34783.24 43686.68 49718.14 46661.78 86391.89 56561.47 87075.24 86269.77 127364.34 61416.27 32160.05 37316.93 29902.33 36629.93 32874.36 42094.32 38900.57 51093.68 41941.96 45973.39 42762.66 52440.47 asparagine 18658.96 24221.12 34254.32 23533.26 20020.43 17388 17309.17 18816.99 22043.42 19434.72 17451.93 31555.54 25221.85 19652.06 20120.02 16936.2 30139.19 20702.3 17414.51 13544.59 16741.54 13624.24 18433.03 17969.04 18162.46 14345.53 15614.97 13677.61 20423.3 14114.68 23755.13 16722.12 14572.14 12490.36 14965.79 17559.06 17074.13 19328.45 24219.67 17964.3 16514.66 28.19489396 40.37649952 38.08299647 31.38882272 34.10587622 36.29035145 28.68623928 38.83517115 24.45977861 27.55161312 30.93793996 21.47975204 53.73443312 74.40885314 58.63358367 72.10757914 84.73444022 79.86345937 115.0082316 94.68866282 127.477329 115.1627798 143.9740243 80.07163383 68.93622634 70.16567823 61.68478816 83.84272334 65.47018024 86.60770888 101.5861542 100.7093428 130.6548784 123.7040623 107.1233938 108.0243889 80059.06 78329.63 85856.84 63386.14 82486.32 67942.04 79271.72 77505.29 79714.61 83512.96 84427.41 76447.66 513386.8 493355.4 542704.3 502834.9 533280.8 482540.6 541353.1 471834 503336.9 475400.6 410426 385821.5 2216.927 2819.682 1097.077 2471.463 1978.4 2932.766 5017.558 3122.856 2806.146 6565.348 2615.305 3667.893 aspartate 1894.526 1583.651 2190.583 1514.368 1980.151 1602.017 2218.752 1750.148 1675.273 1447.442 1346.483 3488.962 1730.171 1819.828 1861.233 1546.701 2023.26 2138.819 2317.552 2254.955 1912.9 1804.795 2887.068 2297.612 2038.723 1636.547 1253.796 2148.057 1691.289 1326.79 1847.567 1780.013 1934.318 1600.683 2097.795 2383.813 2074.901 3035.669 2480.729 2371.75 2573.744 530608.81 449902.25 559128.44 648743.56 540120.06 511961.47 289805.97 390738.59 327738 435981.91 357117.78 275414.59 408349.62 438448.62 307613.84 511239.16 463574.88 391445.88 266941.41 241605.58 367947.5 307122.19 302427.22 191268.5 298079.5 293462.88 377586.5 458650.5 415678.38 390808.75 906332.69 644400.5 863414.44 1183428.12 844465.81 396053.25 2504248 3736671 2387212 2971734 2728219 2955854 2611536 3665646 2182786 4076541 2418365 3341359 14551620 19440890 17450720 17759010 16792170 22286840 17245180 20454590 13264330 38203200 12352860 14148280 44183.33 40784.09 22534.84 33803.31 42159.38 25637.73 73737.09 36318.71 36008.78 61903.58 43744.75 35172.38 aspartyltaurine 251839.6 324586.2 219224.3 394390.3 294486.6 386222.1 353993.8 282756 243602 303567.3 208959.9 253867.4 ATP 19723.5 31326.83 37146.73 8244.88 10971.59 7097.4 13199.05 12241.75 6674.11 12703.38 3834.02 5859.53 1779250.5 446775.84 541059.62 500712.75 632345 513325.03 79520.68 91671.09 806078.5 398242.34 91632.62 219739.02 6501636.5 3768731.75 8698393 7997490.5 5131572 6963578.5 10718073 2915011.25 5183737.5 4625606 4547347 6072348.5 819451.8 357890.1 277764.6 315224.4 287954 515258.4 580230.7 523157 1161320 132400 394291.1 258442.9 2184262 874857.2 4488356 1152063 1871163 3710730 2129071 338856.9 2299233 667433.2 567643.3 359309.7 12216.16 2083.206 7723.292 7661.443 11763.92 3352.072 12845.89 7375.19 21768.34 5489.42 6237.844 2594.157 beta-alanine 39982900 43651570 38511710 37771590 40799320 39583070 39984460 39289500 39327780 38511820 36011960 38889630 124850400 127831100 121322100 144225400 125760500 134023400 135342900 113646300 110228900 114680800 102224300 124618900 199185.7 1585539 165551.3 246781.2 304035.6 268220.2 355376.9 249643.6 287273.2 864760.8 240717.2 447223.5 betaine 14201.48 10196.87 12776.52 15286.4 9675.03 17130.77 25900.64 22057.17 22628.2 30570.24 27952.73 15368.78 38035.44 40718.65 36504.47 32779.58 36614.36 51708.5 86485.37 88616.15 110977.34 89161.73 105744.81 97514.27 biotin 1342.361 2561.36 1660.538 1252.125 1581.468 1284.133 1325.956 1827.205 1928.059 1154.103 1588.124 1484.099 881.5193 1134.852 1205.84 1430.693 1462.069 1294.56 3330.555 3801.441 4236.803 2802.8 2993.359 4879.563 3378.261 2580.593 2135.571 3378.844 3460.089 2951.063 3921.989 4793.593 3964.548 2957.818 3460.56 2832.153 3266.466 1650.036 1260.596 4505.949 4505.234 Blumenol C glucoside isomer 253301.8 180033.3 233674 168211 196767.7 200668.6 317759.2 242836.8 543922.6 191970.2 1024833 215758.7 Butyrate 806909.2 850602.5 890926.1 912038.1 789738.2 853969.3 836402.3 1029858 701074.8 935969 955081.2 940040.4 Butyryl-L-carnitine 24200.24 31689.84 17823.13 47003.14 14966.45 33077.45 17581.75 30231.05 20003.59 33952.34 23451.21 39040.49 C11:0(Undecanoic acid) 1323740 1428015 1239702 1290647 1281988 1233830 1286997 1241113 1267232 1295148 1227518 1318177 1088658 1255716 1571124 1573393 1388008 2070193 1309654 1700616 1293561 1590509 1885802 1743008 1226873 1180035 1252769 1351287 1277496 1260956 1201291 1319945 1165760 1328928 1112018 1469072 C14:0(Myristic acid) 42194004 44908596 43632512 54252316 67687400 64891692 42824464 31759232 53684208 51044768 43667572 34432100 3214504.25 3522139.25 2834171.75 3530485.25 4208738 3489342 7919764 4729569.5 6126424 4776537.5 14212413 5042494 2831441.75 2969210 3398979.25 3819862 5529836 5866576 11468525 12387109 7238776 5340280 16196391 5068730.5 11930460 33170110 13277820 19791410 11753520 19788290 13492870 19950110 11648700 24000260 12456130 23728780 8728544 19418660 12863620 13831550 9825636 20261880 9549100 18033430 11149380 22248050 24352410 21360610 34322480 41622730 25467330 46191760 36795060 35513040 37391920 43627930 27767430 52022610 30148890 46941360 C14:2 3868081 2253660.75 2125797.75 2679172.75 2323345.75 2859704.75 3801021 3986022.75 3924740 5224998 6553066 3654090 1093297.88 888353.81 432891.25 767990.69 617586.5 581040.25 2928376.25 1144025.5 1740072.62 1782956.62 7962392 2049087.62 84081.49 96308.85 72233.43 90885.84 81725.52 90433.7 520675.75 374228.03 323200.34 318821.34 680536.56 229221.67 661616.7 3780073 1327404 2281848 643620.4 2149397 1050218 2649488 712013 3838396 1195299 3890620 612596.2 2435977 621141.7 1243065 479316.4 1211450 463400.1 1707582 400722.7 3500492 713880.2 2007206 301422.4 632850.7 189589.1 508887.8 265570.9 372236.5 351803.1 601691.4 201259.8 1666149 273099.3 866729.2 C15:0 6506653.5 4213174 4152074.75 5414813.5 4149998 4367830.5 5150687.5 3729240 4321820 5480173.5 5946264.5 4450023.5 1227582.62 1276288.88 932791.19 1237223.38 1365651.62 1326396.38 2204097 1422020.5 1706449 1499279.38 3006814 1526288 980386.5 1020530.5 1104742 1348204.38 1242385.25 1684428.38 2405583 2818509.75 1746695.38 1594208.5 3449609 1358509.88 4678906 7112932 4884596 5428727 4267160 5141869 4824290 5940298 4262920 5667352 4507096 5561786 4849760 8654609 6713204 6165230 5441126 9243676 5701442 6419196 5544153 6822882 8043768 6342228 8433087 10236280 6439264 10982730 8809076 8474597 8926972 10892410 6867462 10879360 6970614 12269370 C15:1 471239.59 369880.84 378195.34 431223.09 360577.66 419712.72 454347 319048.09 458269.97 573499.19 509531.53 398306.84 58187.69 81030.29 44618.16 51609.42 68457.23 70059.84 133745.86 70116.12 94775.22 88452.02 291364.62 86183.84 34522.39 45910.58 68947.62 69401.59 58023.35 82345.16 170647.8 146267.67 91529.53 79112.44 200208.61 74246.41 709976.1 633349.5 577202.8 614950.1 697306.8 626446.2 690315.6 707648.5 756762.3 537591.2 521202.2 580323.3 489056.5 849859.9 439736.3 510525.6 619896.8 630817.9 782020.8 816559.1 441346.3 871182.3 523937.5 784094.9 C15:2 2241527.75 1994900.12 1340993.75 2483808.25 1884866.38 2984836 1241723.62 878358.69 933950 933041.19 3056954 956852.94 1334244.12 1076863.38 419519.5 1714982 1863410.88 1029954.31 1310436.88 760636.5 1013233.19 867032.5 3348741.25 805760.69 201906.17 315388.59 151797.72 341513.12 330741.25 286926.12 249298.44 159616.98 145864.17 112512.32 572277.56 96090.62 1770565 1224663 1811576 589868.2 868522 660959.2 2299608 653806.3 1970656 1593978 2413495 746537.6 1100832 749180.4 1119700 425811.2 655709.8 477678.2 1136519 578616 911676.8 1290972 1613869 553243.1 825464.6 551487.6 518643 425804.2 545272 349916.9 1058298 501603.2 783731.7 1927999 738136 692293.3 C16:0 508824064 341005920 379565728 479786592 459564928 454099360 420637280 262071632 400470272 442637664 360502112 316548864 95059992 103373512 80476648 105561176 118569944 97758616 180812208 111332984 137978064 121973496 231992320 125597760 73645120 54517296 61741292 67847576 96848696 81224200 228199984 283403200 148077856 104920264 311258752 104472360 302347100 468185200 314398100 374684300 271201500 365325000 301619000 378734200 293108700 340655200 289502300 365623700 229541000 429389400 386734200 311159500 290774100 507920900 299482300 413189200 291097700 489646200 507534500 464039800 672416200 923197700 488292000 1080563000 637092000 779784400 541129700 991680600 481419400 1022818000 459489400 1055241000 C16:1 79853936 68392424 75440704 92978312 116969992 134793648 86208472 49403380 86417160 101689928 83110016 74014960 7247599.5 9797368 5887701.5 6441006.5 12360800 6209456 17613718 10367769 15718441 15658296 48796148 13753280 1660867.5 4243456.5 6303906 5529692 15280221 13120796 35153752 51102708 20649074 12881539 55270572 13647819 1495860 52631840 5389926 23699050 2145800 25458980 2582992 26706030 1413662 35072630 2300100 27423760 6602522 31969150 6699660 7040108 5457029 16798150 5589122 40546980 16068630 51785800 38356930 73700840 169701200 211886500 117021800 210680700 182197700 177431500 164142100 245997100 116625900 278995200 130908500 277011700 C16:2 5529036 3087102.25 3386787 3635390.25 3293267 3397190.75 4433771.5 3798631.25 3865503.25 4878772.5 5595817.5 3915214.75 652420 663531.06 333797.16 591995.44 556160.69 389490.38 1924940 767913.31 1011004 1264716 5394652.5 1165343.62 62460.23 103167.68 151486.92 188390.5 411440.47 276022.31 868257.5 996940.75 579938.94 339941.53 1508970.38 363465.47 221361 3538641 782046.8 1903814 242597.8 1815617 447284.5 1922902 221198.8 2863941 327979.2 3191653 281611.1 1448073 217705.3 491651.4 167185.7 680654.9 222354.2 895126.2 376952.2 1815722 730055.5 1445732 4166071 4877424 2500060 3941313 4264837 3494946 4440990 4908771 2749188 6470728 3110309 5221748 C17:0 10742215 5841036 6579803.5 8163268 5762702 5812978 8816535 5199866.5 6487141.5 8244848 7519180 5894338 954192.81 871319.19 765060.31 931616.06 981446 932370.19 2144253 1058745.62 1339782.5 1343264.38 3250952.25 1295644.5 870755.81 790687.94 859846.25 1134215 1544773.12 1317978 4675153.5 5071570.5 2599882.5 1884320 6818838.5 1808523.88 2192310 6119752 2766609 4089514 2123536 3903222 2659347 4498044 2096188 4579991 2323174 4832936 2622162 6317426 3616899 3043458 2548577 5408148 3434927 4830001 3236642 6281914 4853310 5767220 6767154 12826180 5836818 13940270 7046426 10565950 6014970 14097470 5257248 15803060 4703580 15499350 C17:1 179187.6 2508256 395321.5 841701.8 183576.8 1105458 237510.7 1138717 161001.3 1531989 171956.6 1193471 421094.1 2528931 437815.7 405800.8 319059.9 1180007 573611.2 1981431 671189.8 2720552 1466712 2872447 7577162 13326640 5696584 12792120 7683314 10438770 7301882 14424000 5706628 16182360 5180644 15042600 C17:2 19541.25 309935.2 64175.54 168130.7 20365.71 200208 17132.67 164722 34681.63 219509.5 41572.53 211958.1 26618.12 186005.9 47817.3 80241.54 13022.58 129852.9 37666.27 140610.4 73033.97 196870.7 178779.5 246499.6 836641.8 843428.2 519993.9 1188018 779332.8 830733.2 652021.2 866130.3 435781.9 1180490 556265.4 1161005 C18:0 172118700 182606200 165083600 193547200 154611800 177102400 167517400 187561300 166038100 147486100 155636100 189920500 185940900 229716200 246854800 188688700 182913200 288457800 203970900 212279600 194867200 205762400 256871600 193796400 130058200 164792400 130775900 187327600 132683500 151824800 120661200 158188800 114098800 175403500 120260700 181716400 C18:1 661921472 346958016 456837280 655988160 500786848 533660832 541145152 232416720 430423392 498109664 392955744 333568896 24723520 29463918 19453578 26554872 41569800 20931982 59043252 35161980 50157708 46185760 168636416 40513332 6450019.5 16421005 22374690 27734358 73640056 43344828 254307856 371254528 119692680 47950068 439937824 55719604 7277406 192158600 20737970 78149000 10321150 86624280 12083110 76918260 6381528 126332400 8456850 86591130 35815600 107759200 22377870 28028390 18643360 68254920 23134690 208326600 58926420 299331700 114862300 299727900 685139800 1309989000 520524900 1505057000 656720600 1025724000 532607500 1372073000 555420000 1767080000 456544500 1648436000 C18:2 664206592 309430656 396193120 553450432 411892704 403460704 426746336 237855744 343769248 440616928 327226016 314081696 32169696 46623136 27485504 46141868 48854900 33432710 81344008 55033164 59970100 56816160 196228208 53352372 5896120 14702033 22028228 26024760 62176892 40653596 179543680 282607232 93121672 40322740 310627360 42736852 9168547 222488000 40439280 107697500 12309430 127793300 20372230 115842400 8506659 152959200 13524570 121364200 30784740 106180300 21833150 30685090 18648510 63438230 21374210 151649800 49204660 210483700 94479480 238444000 845545800 1295190000 579721900 1406326000 767669600 989558000 637035600 1362288000 617647200 1708401000 542637000 1491475000 C18:3 35225536 22911250 24642112 28340458 26200426 27913086 26585992 20128432 24552320 31809398 22791000 22791024 4640532 7030317.5 3710905.25 6020715.5 6177307.5 4584812 12620972 8501733 9432401 9193292 24710294 8727802 497128 1164244.5 1716460 1922184.88 4607032.5 3059385.75 10119285 16464537 6509072 3502712.75 14925392 3465978.75 895126 22909580 7517524 16464710 1006435 16842150 3713941 17083200 1945641 17192260 3258540 17551710 2782158 13057810 2382462 3852151 1850582 7482452 2025562 11725020 4053594 15301980 7962232 16840810 74917070 87826520 40478280 97812030 70494250 64916320 53998720 97122400 41937990 101407100 44697460 111984800 C18:4 1325702.12 1518335 1314636.75 1316492.25 1541412 1630108.38 1530314.38 1199672.62 1384557.62 1784845.88 1712651.62 1210866.88 158389.41 324571.34 170900.17 343441.03 224303.83 226686.45 1289372.25 462523.62 408063.66 520507.47 2896743.75 617524.81 21907.76 64842.16 87689.62 155467.7 180938.05 115250.25 399166.03 474739.91 290839.31 199029.98 571826.44 123131.18 604131.3 2091003 1750406 1396927 335480.4 1650937 1445177 2033284 1014690 2023252 1380508 2003088 366036.6 1619175 771520.3 910104.2 476561.6 1390429 522883.7 1512441 511922 1921770 656489.4 1469382 1626095 2178474 990113.7 1604460 1817765 1315273 2115604 2561907 1194316 3016558 1535930 2397079 C19:0 4797097.5 2468686.25 2956784.75 3048178.75 2672771.75 2220749.25 5403537.5 2858700 3432711.25 3498854.75 4220637.5 3179221.25 179997.23 176923.48 161044.61 191209.52 173521.42 192704.83 755744.19 265294.16 390828.5 376824.97 1373994.38 386814.72 139880.58 170659.5 166702.89 245062.5 383615.03 229963.5 2022531 1723376 748514.31 536926.31 3185373.75 538875.06 871374.2 2187448 923748.7 1392294 735408 1300864 965432.7 1606496 944615.6 1705616 848365 1553851 1002464 1782016 1240522 1057309 865815.2 1621193 900649.3 1679041 1006827 2685403 1288319 1696738 1844457 3965037 1502459 4082674 1791581 2469075 1320793 3680445 1440179 5320392 996600.4 4743082 C19:1 5423264.5 3063604 3764207.25 4981344.5 3214497.75 3580892 5160610 2120988.25 3872806.25 4223804 3670392.25 3142216.25 85889.49 91764.34 65344.71 86329.91 110542.41 69771.54 320336.28 147704.14 182372.06 165750.45 963608.56 194980.64 45157.04 106420.69 121396.88 158103.33 406192.03 200003.05 1901338.38 2258100 744995.19 353365.75 3332918.25 400673.75 98301.81 1766442 252561.4 727248.3 131505.3 755010.8 163960.8 860709.3 159839.6 1387873 153543 997577.2 326806.9 1114987 265645.3 264423.1 223165 611097.4 238448.5 1294810 387419.5 2283980 601501.6 1966660 2948789 7328908 2492373 8301410 2717463 5087818 2171185 6934200 2594338 10664210 1552578 9328940 C19:2 1689.382 129273.9 29459.73 63599.62 5845.832 84240.25 19159.02 81374.41 7416.783 106326.6 22346.01 73292.38 390771.3 624857.5 250204.9 882597 268959.1 503449.1 290265.8 715719.5 259773.4 838040.3 190437.1 948805.3 C19:3 104445.1 112002.7 106535 82162.66 101058.9 90700.76 139858.2 85922.98 147225.5 76120.27 121929.3 101391.4 63085.18 60528.59 99481.12 73335.28 71717.32 96181.4 75108.68 57518.81 40475.5 82534.26 53905.47 45416.12 52624.29 119192.4 44750.52 129381.8 67420.96 100591.5 35957.41 99381.81 50003.25 66947.23 42700.42 93383.88 C19:4 2742.425 19219.45 21797.69 14524.23 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226538.5 415022 270564.2 432180.2 278819.7 272853.1 592486.4 305979.5 247092.4 382956.2 222228.7 254077.9 249593.5 113188.9 145864 107698.8 135659.8 109295.7 115087.6 105805.9 132870 94835.02 118769.3 110731.9 126688.3 C25:1 30740.72 31068.84 26631.57 30367.94 23825.39 30358.88 25855.75 34996.93 35312.91 24244.05 24243.79 30223.26 46497.08 34115.03 54713.51 35336.79 30017.65 74061.38 36691.02 41866.28 42965.42 44684.27 36334.95 34869.68 13809.71 32585.78 17367.89 31642.51 19457.08 24449.13 14734.76 35064.72 13773.17 35646.55 15476.8 29665.62 C25:3 10590.72 4179.005 13446.75 9982.046 19476.26 13559.05 21526.9 12792.15 14401.21 13171.27 20434.4 6261.755 C26:0(Cerotic acid) 246805.1 191015.6 159798.9 226746.9 197737.4 205955.5 215098.5 234341.5 219278.3 134145.7 180371.2 174982.7 360728 268375.9 405837.2 274888 251141.8 555520.9 253599.1 221107.3 338788.6 201678.7 256312.4 233171.2 118462.2 131654.7 115080.8 125502.2 98991.41 114060.8 94904.71 119897.8 101374.2 107819.4 110605.5 114082.4 C26:1 34621.5 32819.16 24797.63 35839.11 26073.22 34224.22 34291.44 38682.33 38898.21 24037.92 25207.04 36168.33 64612.42 47593.84 62255.3 46895.83 45277.27 98008.74 43219.94 51245.73 55638.04 51310.67 34872.97 49857.45 16313.11 46911.94 19568.63 64045.31 19153.56 22455.4 19652.22 40903.7 19638.47 39408.13 12443.8 43485.14 C26:2 4642.16 6964.833 1615.694 6296.124 2597.259 6452.887 7411.914 9937.823 3382.721 6508.833 4614.697 6844.457 4465.776 6426.898 2813.695 11125.14 3414.824 9828.706 2382.452 10571.12 2645.07 6159.711 1802.619 8798.668 C26:3 2224.384 6827.045 2544.04 4456.712 2357.35 3324.764 1977.26 6137.361 1241.392 4087.16 1952.924 3117.336 C26:4 2692.775 9768.938 2606.3 7261.75 3827.797 5798.901 3427.585 6539.062 3872.808 6140.047 1369.583 9389.396 C26:5 1882.978 5195.828 0 3500.479 628.4501 2725.718 2334.957 3130.635 0 5882.728 0 3426.282 C26:6 1171.468 5785.768 446.8429 4978.008 0 3890.522 863.7241 7388.432 1790.426 2541.854 3128.319 4189.696 Canrenone 216947.9 2757806 145605 96107.93 577970.6 699829.8 117606.4 201500.5 44366.09 201133.6 90995.91 585031.8 173047.2 659642.2 82067.88 106112.8 432070 262028.7 205858 171338 522973.6 156672.7 260292.4 538241.9 388579.5 1746703 88923.26 1098378 173838.8 32269.29 62926.97 317096.2 142679.2 69637.87 268071.9 162392 114485.7 180515.2 310586 630796.8 383699.2 Capryloyl glycine 68836.61 66986 94204.34 82881.62 100444.6 83401.84 80201.78 85962.12 76678.56 70291.76 112570.2 115832.4 160863.5 155269 93258.69 150139.5 148878.2 126399.1 253968.6 170651.8 186036.1 184890.5 223790.5 214366.8 138511.8 90548.15 231146.9 116535.2 98657.25 142933.8 334848.5 317150.6 140526.4 222504.5 244821.1 244433.2 261444.4 115069.8 130993.9 322692.1 294883 54769.75 57485.01 46975.75 43092.11 43080.26 47566.99 217445.8 212980.06 109146.12 164433.98 297113.25 207348.98 685051.25 612478.06 461656.41 495408.66 485940.88 592213.44 1777572.62 1272301.62 1592739.62 1709725.62 2056118.88 1422262.12 12299.2 22788.67 18155.48 36972.93 30442.77 20098.09 68186.77 42100.85 38887.8 57969.84 90025.68 53030.12 138261.1 367528.2 118673.8 235823.9 144265.5 191369.7 210385.2 610907.7 223526 510921.9 205428.9 301731.7 5888.275 19225.15 3930.921 28341.06 6916.764 15119.77 12419.05 35465.43 9645.062 70922.51 5352.646 45382.72 Carnosine 5992.062 4219.608 11413.85 11375.78 8815.623 8483.242 6855.432 5703.901 4102.708 4237.775 7679.542 7097.552 6269.657 6028.219 3135.4 5113.535 9691.901 9079.645 5520.188 4439.465 4352.459 5468.948 6958.775 8139.035 5483.056 3618.379 5797.255 2059.927 2944.771 4976.436 4857.09 4723.157 3829.69 2396.101 3973.81 8806.566 6602.862 8717.489 9109.352 5642.159 8081.359 17720.5 220279.58 361629.84 100304.09 20078.53 81609.35 19586.7 22033.55 37388.27 38329.04 68611.67 30617.61 11898.46 12585.11 7654.65 11526.07 12635.83 7117.51 17476.01 10043.29 9868.16 7414.04 14627.58 8647.62 36508256 41823760 33615780 35867648 41215164 43175964 34511172 29152202 35223604 38822280 36170492 43312692 CDP 33457.68 9941.31 11583.1 13496.43 13435.45 13584.04 3184.12 4268.15 24345.88 16781.28 3990.45 8548.26 7888.71 5267.55 7247.57 8540.2 6583.11 6001.49 13394.51 5476.56 9179.2 5446.95 5401.45 7849.47 15110.23 5538.812 6277.801 5321.045 10880.8 8636.655 10481.47 9847.282 13633.08 3548.038 6694.937 3625.012 CDP-choline 87080.44 66236.94 55472.73 74870.91 62710.9 84816.1 63529.38 60848.89 65685.62 89860.53 76354.2 51916.22 70376.8 71639.8 73165.05 104080.44 96246.34 122809.54 172147.81 179739.42 182133.2 149492.27 266371.41 172112.8 5768.1 9359.04 9166.38 7861.24 6183.42 6131.63 23137.81 13884.74 10259.51 13112.77 19270.74 17179.45 132136.5 214937.2 90923.62 203577.3 100928.5 138488.1 159962.8 251859 137739.8 268231.5 128868.5 113504.5 CDP-ethanolamine 112051.19 104982.02 79963.71 107060.05 113562.93 112103.12 126235.12 109501.93 115183.38 137066.55 138180.39 95597.96 195609.33 179708.02 120837.84 221499.5 222689.7 246723.5 248731.08 262221.38 308667.34 297869.78 433836.41 271275.88 8336.77 12468 14145.92 11101.63 12828.38 14114.11 30452.81 20590.35 26299.33 32610.59 38997.16 26732.77 285092.1 353471.7 236625.5 263329.2 304008.5 337288.4 421589.4 413863 281814.5 419465.1 254688.3 225398.1 Cellobiose 66082.37 130230 81861.44 121711.8 93094.5 144765.5 97207.59 192853.5 416765.8 110555.8 389031.3 129634.2 Chenodeoxycholic acid 24901.94 15138.53 47401.97 35846.43 21189.11 11677.78 72707.05 30176.88 28287.96 21558.42 43506.5 706212 205154.9 55447.75 57365.31 20320.61 7815.417 35105.77 42528.29 27656.84 60394.47 30564.58 24812.48 47583.02 78258.97 28504.19 48476.94 11704.41 14611.6 60909.28 91704.9 46076.64 6175.829 4727.601 15105.7 26066.84 37237.08 8047.794 16322.97 13087.43 6912.542 Cholesteryl sulfate 1293998.38 1696037.5 1605169.12 1280466.12 1382597.62 1495677.38 2096377.5 1583641.38 1480318.88 1633217 1953618.88 1219423 3632786 3568024 3406553.25 2923475.75 3293454 5025134 3567442.75 2717390.75 3334423.75 3405278 4368094.5 3241552.75 189963.39 308683.91 298053.16 239670.73 302591.03 279358.47 323858.78 216255.5 314315.47 245834.02 282126.91 203382.55 2032230 2628147 2365414 1835896 1798280 2351904 2452598 2658767 2839229 1925908 2383558 2182763 1916293 2332314 2094845 1137606 1817971 1520320 2162587 2233520 2434313 1801171 1888365 1249500 302089.4 275970.2 200359.3 275741.9 365416.4 285275 490338.7 331675.9 361209.2 342968 255946.9 286852.1 cholic acid 19519.82 22679.84 4750.63 7305.44 27175.95 8533.08 39992.09 21842.24 16679.6 20505.41 34480.3 21551.4 110748.28 231438.94 33360.44 104813.21 1464267.12 59568.3 232465.5 654815.5 203942.38 175083.06 115803.62 51527.55 5661.65 12854.28 9227.62 2688.41 133056.58 128028.98 9001.68 9311.86 4752.93 26067.41 6201.77 18842.42 56009.36 88189.88 60800.38 44199.52 10930.85 50688.57 32290.96 39376.91 50016.75 33704.12 25704.61 43795.56 284976.3 556579.8 502633.1 503299.5 72722.25 91842.74 142103.3 2421858 9765015 281563.9 14858400 421422.2 Cholic acid 121636.9 194689.5 10964.12 202865.6 113357.1 77714.88 601594.1 26091.69 89461.95 435656.4 400353.5 7759322 544669.4 597388.4 345360.5 210143.3 167132.5 138089 400302.8 504780 3293949 256045 25698.65 286877.2 425563.5 48697.18 438804 99159.87 412425.4 259686.1 606327.1 80775.43 285608.8 94556.21 74862.63 79815.06 18278.37 199871.8 243262.8 31278.89 30895.86 Cinnamoylglycine 22434.93 19792.6 17481.62 18640.94 12233.12 13308.29 48985.06 56859.5 44450.41 46857.42 49334.04 51490.03 35213.14 27159.96 15576.66 25532.34 50466.44 28229.87 42668.88 65292.17 53256.39 32994.04 30965.3 59160.95 7237.9 7739.46 10695.21 33627.56 13895.49 11848.3 17850.69 11674 15198.74 10824.62 17673.71 18646.62 Citraconic acid 238047.8 132674.9 108439.8 97737.3 130670.3 109119.9 99971.19 136971.5 147892.7 120949.5 117199.5 128605.6 125211.5 83025.73 100477.1 140323.8 135530.8 110443.5 89459.96 163351.9 139578.6 137393.3 116150.2 189697.6 112196.6 131942.5 173413 163224.1 92429.31 104176.6 149452 95894.8 124756.5 108189.9 157767.1 171894 200225.3 290391 219468 194563.5 255169.5 9574.224 13903.9 10698.35 6627.13 9325.91 6627.268 12087.14 9616.858 6831.523 12360.57 5435.049 7725.298 citrate/isocitrate 746451.3 645752.3 206373.1 424348.9 497626.4 431825.4 397202.8 422214.8 701679.7 781067.8 298125 412175.1 216448.8 535352.2 780410 743489.6 934380.4 200562.5 874.4521 203018 788428.3 714804.8 454425.7 623283.1 632576.5 255626.4 821830.8 717605.3 758408.9 129618.4 548326.1 556189.9 625581.3 677404 957758.7 591984.3 523135.1 302180.1 243470.7 328763.8 307865.2 234.9205605 154.3948926 231.994003 181.9729207 174.7576412 167.821601 327.3203384 327.2137946 291.3016173 282.4830112 258.1660899 252.9111542 458.900651 267.439699 219.3731646 273.3833427 309.1682969 181.7942092 142.1227061 132.2657186 435.0335492 209.9526816 171.6159323 197.9017106 127.8402181 145.8453444 154.2182208 230.8536663 189.2137053 154.1015403 188.0335131 171.8174763 218.0175699 193.832646 178.5474699 127.3687459 13475840 17431420 16750040 15187870 14111350 15383770 14177570 7531992 10923590 8139400 7050518 6095434 289167.5 682686.2 736424.2 391436.9 424572 271293.9 354564.9 321840 202444.1 262618.9 105492.7 267166.4 Citronellyl propionate isomer 198037.9 334940 251095.6 336341.8 203536.5 360991.8 197580.8 302591 182961.9 441166.6 238621.6 333863.8 citrulline 99487.69 84096.9 82394.88 68733.68 98968.45 104803.95 97087.41 96257.9 79867.26 93019.55 119153.27 94690.27 40717.66 44971.91 23435.7 35543.86 70566.71 33215.22 767858 82006.79 120196.84 71242.23 1163393.12 587576.94 174406.02 147966.2 136276.17 183067.62 206519.92 185403.23 156995.33 126823.18 122635.79 135915.92 163086.81 134097.83 530243.5 472857.5 446967.3 390808.3 432896.7 371533.9 404694.7 362476.5 497071.9 376529.5 427436.8 404499.2 1636031 2328883 1517081 1468075 1355726 1151193 1421060 1098904 1582735 1536494 1287656 1287544 8637.442 14219.52 5677.346 10438.23 9434.763 9114.757 12475.78 12624.97 13261.5 34574.18 7704.225 25048.34 CMP 60979.93 70301.51 49190.16 53226.87 50065.43 54375.88 34872.32 70345.66 65957.03 54453.38 47731.3 46014.39 103841.81 92202.02 78557.48 108907.27 100446.4 114208.22 168136.45 178112.55 216208.69 174354.98 183025.08 183927.31 4269.39 3645.31 2923.76 2135.54 3167.87 4856.77 5659.23 11679.68 5055.61 1605.73 7676.62 3388.95 87940.47 81031.59 95885.32 82571.41 129088.8 93469.16 85152.06 94903.74 76595.7 68731.99 75129.88 72646.41 133574.1 157104.5 123326.2 112521.8 108787.5 106165.8 172396.3 172694.2 143888.7 110017.7 109666.9 98783.91 1413.421 2748.924 951.1674 1641.404 1923.078 1583.688 2718.516 1577.832 701.0972 3605.643 1685.344 3857.837 CMP-N-glycoloylneuraminate 49893.94 39952.27 53611.73 13410.9 37077.43 31336.87 60951.66 38732.96 60204.45 25068.28 37202.78 10140.81 cortisol 770.58 2100.26 1133.76 1425.74 777.78 1087.54 5685.42 6520.38 1657.54 3681.15 7012.42 3331.01 104655.93 163475.92 84842.31 73393.05 86993.94 251333.56 447152.5 406664.5 622026.44 481261.03 413763.75 445951.62 creatine 66198.95 114699.3 88013.41 71367.82 74866.49 101995.7 61864.06 60100.3 50876.86 59315.7 73436.19 47958.95 88821.06 91279.09 62153.12 50115.36 89269.34 85908.03 169261.1 119814.8 147616.3 135791.6 116075.2 97790.68 84982.21 80128.82 89957.94 86356.91 129668 88243.59 133370.8 89698.21 87876.62 82963.46 103088.3 103111.7 129875.8 120715.7 151470.6 140571.2 148890.3 1720919 2139775.25 2599498.25 1516230 1320140.62 1520961.62 1034187.31 1020219.69 1103834.5 1126754.88 1287113.88 973678 150339.23 166144.55 168653.98 163566.3 226551.33 180462.42 191731.11 268031.44 259685.8 181339.36 237819.05 257755.3 16649048 20239210 13254652 12907829 13807243 16018265 15388845 21617866 19232666 15985961 14461304 17741838 24421910 26724200 22658890 22198850 24804480 23573980 24216220 23272460 23160120 22722260 20967300 22781400 109840400 111339800 108720700 128403700 112700500 115992900 117884800 98018630 96032220 101375500 90847460 114813000 87127.21 630224.9 78718.73 108184.3 122325.9 127964.3 150721.6 117272.6 131165.5 348674.3 111671.7 209500.9 Creatine phosphate 120721.02 96721.04 131057.03 90698.02 82135.32 70995.84 40070.5 51536.44 44294.81 66418.66 24882.23 22603.83 44012.18 34077.92 26205.86 44279.06 62783.7 35581.32 31304.29 26761.19 85238.05 45208.07 72435.75 46831.97 24711056 20066920 28589170 30929318 28474714 26857990 25070416 11500615 21756620 28043000 24165322 23227720 398029.5 415411.6 342305.5 318705.2 376323 375584.6 241969 280441.6 645920.2 239185.4 477414.8 317893.6 5393936 1864377 7290144 4334442 7385930 7639056 5216572 2156416 4789216 3288695 2291527 2370410 11672.5 56672.41 15019.51 24196.84 20378.6 7039.711 47799.61 11218.62 33313.18 8540.013 23856.07 2936.71 Creatinine 78852.2 72442.37 46628.62 53734.72 56485.32 55818.69 51615.73 52461.02 53619.83 66996.41 51534.94 49356.82 71288.45 56960.98 56701.86 58465.21 64995.36 50407.59 47262.81 55519.55 77614.34 49474.66 52431.92 54309.97 58047.44 47082.54 67908.16 51562.36 46600.29 43668.93 54173.94 50206.91 57321.38 54200.75 57836.34 56690.89 54587.42 64355.61 63041.36 68640.78 70774.49 56155.54 66719.06 56617.54 60860.82 66213.84 45556.94 59874.3 61717.55 60921.73 49660.66 74249.84 84796.73 1332478 1380324 1477366 1542840 1710324 1480620 1430224 1062650 1151858 1482832 1172450 1564566 cresol 51150.7 44760.87 57076.58 37302.5 47196.43 32053.78 34671.79 42618.03 33294.96 60794.77 42925.84 44599.76 20432.95 26768.27 17017.51 16563.23 20811.93 9779.658 8374.871 19579.84 14757.7 28442.6 14072.08 27863.54 Cresol sulfate 808635.75 98754.16 680627.94 976629.69 107152.04 424917.84 554102 737092.31 345864.91 1066351.88 564064.44 485878.22 692929.75 90172.97 343317.47 996953.81 124523.15 380394.5 337473.69 380526.53 266082.84 670636.31 249959.27 322896.16 194115.33 25770.41 187808.14 711511.31 35395.98 183158.86 147590.8 128172.38 70486.41 208822.3 101333.3 89515.21 829167.5 489946.6 115761.1 389185.8 753531.3 220790 1202156 833486.7 118856.2 329573 599167.8 441333.9 Cyclic-ADP-ribose 143703.34 98637.9 97204.25 120171.21 114996.04 127192.16 127423.02 128947.91 109950.54 166292.08 149366.86 97169.73 130147.45 112218.29 87862.48 113893.65 113306.27 116502.37 117640.59 102172.38 204457.94 133106.73 108984.44 117502.05 87313.52 87281.02 86712.87 98585.2 89671.54 92641.19 95321.62 98690.81 107112.34 103826.52 85521.78 87980.78 5428.698 3450.959 3674.033 5195.084 5783.469 3243.888 7370.873 5278.719 6748.139 9924.98 4361.849 5531.465 Cystathionine ketimine isomer 15696.37 3372.042 3397.117 3133.922 15309.36 1994.157 21184.42 3203.493 16541.73 1272.057 23644.57 5655 cysteine 3459.709 3334.472 4259.236 4574.875 1857.286 4893.335 3394.78 4478.833 4130.32 3605.178 7330.453 2268.343 5334.183 5422.17 3737.742 3763.948 2660.303 4648.019 2553.011 4806.203 2645.334 6296.182 3405.899 4665.532 2207.34 5837.332 5009.789 4348.577 5555.752 5951.743 5953.497 3979.954 3831.009 3050.862 4087.749 3942.875 8937.379 4950.516 7779.197 13071.89 13739.86 Cysteine S-sulfate 7340.029 11329.22 10224.67 5878.787 4487.776 4805.061 3664.627 4230.108 1423.766 2002.231 3670.027 17359.98 9324.81 3499.458 2700.088 2934.878 4344.171 3732.25 7529.859 9049.984 20233.78 4664.78 4958.399 8061.417 8483.395 7053.26 2512.288 4190.368 4006.473 3967.74 10275.45 6027.484 4695.769 5033.402 3018.506 7683.867 6000.222 7180.662 9843.443 17352.13 16609.1 Cysteine-glutathione disulphide 8974.65 7589.68 4944.06 5787.01 5161.53 5800.15 6517.71 6870.38 5166.57 7642.65 7789.05 4626.97 17159.81 12225.01 9991.1 16717.46 10637.52 11650.36 48880.73 37726.42 43703.35 45899.39 98159.29 49077.64 7795.58 8861.85 7325.68 9257.77 10385.9 9925.21 7869.94 8487.73 7066.81 6860.38 11689.6 7384.57 53614.86 59048.71 52780.96 46865.43 46352.53 52451.77 79387.71 34107.39 44287.25 44961.46 44200.26 49200.78 cytidine 15801.93 40437.76 18782.67 13805.94 17633.89 16121.71 12485.05 20887.28 19309.67 11731.1 18016.94 17318.18 10049.99 20928.37 14223.82 16556.5 16637.12 13049.55 41088.11 51049.91 63567.48 41927.3 37861.04 60477.7 43467.78 39536 25927.68 46362.46 42496.17 34984.59 53168.8 59426.14 56951.82 39624.46 45412.21 42550.73 46716.92 20804.61 20708.43 56052.27 62300.98 33320.53 36546.44 24615.52 34594.74 32223.58 33566.21 27229.41 47994.64 33195.82 40041.25 42844.97 30198.26 31178.45 37916.51 27684.92 57599.27 39518.38 43155.9 52312.65 32111.75 78146.99 73245.97 92008.37 31174.66 14476.22 14130.56 13555.3 14558.89 15162.93 16937.71 27229.04 23218.73 32246.6 33238.29 33551.76 28949.26 238882.9 484042.7 360324.6 326721.1 243147.2 349527.4 345821.3 345764.3 237500 471056.8 261873.1 473113.1 133186.8 241686.2 127393.3 247674.5 127051.9 157437.1 190543.2 275519.2 128683.9 214168.5 166347.1 207407.8 2094.861 4993.655 1193.559 2806.887 2009.12 3593.576 3474.814 4990.898 2718.185 22671.66 2023.479 6386.346 cytosine 2079.031 1254.767 1401.541 1498.264 1072.55 1434.123 1640.369 1539.944 1893.428 1486.64 1533.28 1939.574 1432.198 1865.508 1280.007 1387.922 2369.879 1581.764 2480.977 2755.908 1648.941 1605.531 2203.008 2974.981 1917.815 1660.69 2258.938 1558.309 1542.064 1429.524 1935.558 2383.671 2153.943 1414.695 1888.642 2426.853 1914.112 1604.434 1616.286 2198.202 2345.506 D-erythrose-4-phosphate 95802.15 116036.05 106349.54 131497.08 111294.15 89901.01 12686.37 47368.99 177974.19 129625.81 5498.35 28630.94 720702.5 834808.31 453419.03 554772.69 558513.75 718621.19 691372.5 828703 800977.31 714469.19 509102.47 706437.06 D-Phenyllactic acid 78327.66 31362.12 36758.43 44242 39312.36 35848.83 39360.3 39823.48 42955.23 45875.5 51114.98 54724.54 DAG(15:1/22:4) 188420.58 317031.16 140246.02 57836.38 112063.04 118713.04 362041.84 223814.77 119618.15 163779.52 189197.86 276433.59 1999421.88 2407199.5 1281459.62 804471.31 1330124.25 1193976.38 1938798.62 1331609.88 1101481.62 1105689.62 966372.25 2594777.25 58529.45 98728.25 49621.07 30226.73 56866.93 50909.22 91904.27 57334.72 45066.55 44303.32 33734.82 93800.72 DAG(40:6) 71497.12 45163.41 46252.49 73124.41 24398.35 45994.91 104007.8 15888.76 15779.35 83756.96 23668.32 62153.83 DAG(44:6) 193179.58 277619.09 289853.03 204795.75 147817.12 160237.75 214450.05 215519.77 181303.3 145400.95 194756.17 161789.48 41653.27 143500.23 146501.78 153202.3 96333.15 120660.65 55040.49 113665.1 129174.15 107172.34 78071 98879.9 87878.12 274544.59 231956.45 250109.62 213625.61 242454 201433.12 177013.77 280184.69 244266.98 192184.25 246836.38 5040754 5436444 6923478 6632802 5704048 5835018 7835022 4543658 2654223 5813460 1594262 4543220 250672.5 241238 323803.7 250111 375986.6 286678.3 346623.2 264343.4 288618.8 172784.6 278919.9 205475.5 Decanoyl-L-carnitine 35899.48 38555.41 34888.69 51969.08 4301.333 46186.57 14353.13 57180.54 12462.28 73999.23 7345.641 50830.75 Dehydroascorbic acid 6541.338 4067.146 5957.77 7689.574 5157.443 4286.21 5545.612 5122.4 5186.306 6087.199 4611.439 3696.104 3268.948 7319.629 4376.618 6765.385 6330.845 8169.234 9143.967 6287.812 3406.706 4776.654 5455.381 4478.664 7762.596 5269.372 4535.895 5182.132 4053.669 4310.048 6256.666 6452.158 6098.748 7678.881 5543.949 11043.8 6715.255 6993.513 13402.24 10234.94 11755.1 Deoxycytidine 12307.91 14679.47 11883.56 11780.77 12039.02 11923.81 11835.23 12575.27 16117.5 9834.987 10766.61 14183.14 10447.68 13023.21 12229.08 11144.53 19581.87 10265.95 17977.04 17269.81 12627.05 13393.77 15182.43 20046.76 11647.78 16052.97 17148.7 13606.81 13943.77 13524.19 15468.24 19044.14 15658 11086.33 13400.04 19351.53 15420.68 13247.89 13890.07 18969.26 14821.9 1584.915 1360.934 939.2845 1294.814 1279.122 1333.534 1347.29 1685.438 1751.323 3165.409 1539.855 3172.471 deoxyuridine 505220.2 334820.3 332295.5 318358.9 388378.9 411578.9 296091.8 327332.6 261647.4 407194.5 247462.7 282914 192373.8 349843.8 331629.8 395173 454511.1 325399.5 321318.1 367011.3 450372.7 338413.5 396016.7 378552.7 254482.6 252002.6 206777.4 298974.6 260055.5 240262 313888.8 450737.8 282882.8 269099.5 357667.8 449103.7 346457.8 411863.6 386101.5 362888.4 309454.2 94604.23 81075.18 79563.74 86280.07 76129.25 90699.26 84729.8 82098.84 83559.64 87949.73 88420.3 66365.03 105147.1 92260.76 58844.81 92356.07 83968.49 84713.66 43826.93 52900.77 95876.94 66745.55 49337.92 41822.47 127378.94 159432.48 121947.96 141193.23 135568.89 172535.58 124452.18 125651.7 121157.93 126956.57 115083.96 121536 559563.7 584224.1 528120.9 528471.9 590666.2 526726.4 664603.8 504838.8 541771.1 505525.3 576560.2 478818.2 29076.31 30139.84 19009.71 36811.19 33434.72 36941.71 54146.86 42510.89 30882.71 65732.41 32117.06 52737.95 Diaminopimelic acid 13768.54 18040.58 11858.13 12363.24 22310.53 14671.61 18773.57 21484.2 15216.97 20472.22 14710.43 14631.76 Dihydronaringenin-O-sulphate 6813.87 9470.7 3148.88 7054.6 7216.55 4703.73 11572.89 12341.74 6390.96 15503.09 8815.93 14259.61 122556.3 134227.89 54328.78 98795.71 187388.67 92352.88 111443.54 167855.64 135621.27 111771.91 68689.44 125507.35 1631.47 4388.18 4273.26 8255.91 22314.65 28682.62 4035.92 3264.95 2144.21 7894.54 1313.64 6298.43 Dihydronepetalactone isomer 88453.46 103690 62897.21 105220 113671.2 107008 115165.8 103691.8 112551.3 110381.1 109168.5 91523.66 dihydroxycholesterol 551637.44 408209.28 496296.22 523192.72 548275.19 485340 547889.75 547181.81 550501.69 264837.28 668757.44 480032.59 442186.59 473896.09 528878.19 567947.94 373260.84 385033.91 422214.03 482228.47 456960.38 383113.38 411648.53 417952.75 376284.22 455699.91 452112.5 412227.34 497577.59 291052.16 430278.78 457848.62 512530.84 370672.16 397144.91 418504.66 dimethylglycine 4746.737 7730.082 5992.615 4475.616 4814.492 3690.141 3263.401 3678.59 5241.248 3631.068 3947.257 3259.14 4186.389 4244.971 3908.027 3360.486 4684.064 3450.667 818.6539 4257.512 6998.262 5111.568 6952.68 6875.094 6105.863 9323.987 7426.693 4405.099 3763.547 4391.96 5259.838 4504.689 5339.889 5123.205 6074.83 5488.816 6443.904 3113.204 4899.853 7160.409 5961.322 Dimethylglycine 20251.57 15617.97 14683.21 17762 11626.48 19852.31 33038.92 26467.01 28799.27 39440.34 37579.3 18122.17 54502.25 57484.91 46097.52 40814.76 51991.83 65008.57 140815.58 137401.73 184179.27 141711.83 162830.67 147684.14 DL-Indole-3-lactic acid 33497.4 62990.99 89215.29 48816.59 47823.85 30873.08 30445.69 38407.91 37813.16 30109.35 58636.96 45152.96 83363.77 24999.29 29039.83 30120.85 40556.54 35383.2 66300.26 26323.59 55404.14 75920.12 78371.63 55943.73 50002.19 20098.26 80762.65 22393.15 27121.62 30125.23 50827.94 52128.66 39817.98 38043.08 62473.77 50179.84 45355.12 13353.43 14500.46 39619.36 27518.4 DL-Pipecolic acid 10337.91 10138.66 10941.05 10241.7 9563.646 10112.59 9204.229 10210.84 11524.02 7252.306 6056.961 4910.388 13633.25 9918.938 10130.88 9014.686 8457.257 7241.713 4622.837 4355.296 6305.916 3653.835 5514.643 6372.077 6080.378 4980.211 6545.213 4628.44 4628.863 4128.912 4319.604 6380.92 6658.526 6042.115 5511.896 5632.767 5119.961 6667.084 8695.433 4543.218 4984.233 4267.12 2843.99 4490.74 4658.23 3915.13 4848.96 1285.36 2565.44 2796.43 2055.36 3760.34 2247.61 11838.12 10361.42 8171.68 8692.89 11372.44 10902.56 34698.62 23447.95 19343.57 20202.2 63300.97 46145.85 5859.71 7955.02 6743.73 10696.4 7940.25 11757.2 5004.32 4573.48 4150.52 5014.29 5930.66 5163.15 257800.3 263252.9 230353.5 208592.8 282430.2 142544.4 271700 199077.9 221147.4 301231.9 221045.3 226481.7 Docosyl 4-hydroxybenzoate isomer 18358.54 32724.94 70843.95 41920.3 25637.3 28139.24 60847.93 40720.61 29321.87 20817.15 24496.03 24405.15 32179.3 26278.84 20929.3 26904.17 19011.4 23601.51 23295 9984.109 19981.8 32158.12 29200.66 43444.21 33720.63 25215.54 31219.22 5975.729 14134.52 19851.28 21479.29 26154.01 29470.28 27158.12 21188.92 30522.67 31451.93 38470.09 53679.15 23100.77 20661.93 dodecanoylcarnitine 60006.02 87684.72 35170.61 126096.1 23869.55 85886.95 23726.57 78956.09 16227.67 148606 19936.5 102693 equol sulfate 138112.67 196131.95 91706.75 165677.53 209789.58 151505.38 408206.34 284993.22 254330.33 285483.47 269716.66 262747.75 1838627 2755841.5 1064790.88 2486075 4658717.5 2511152.25 2813038.75 2442604.5 3435652 2449286 1422369.5 2333111.25 21858.71 64356.02 42640.8 98602.4 296985.5 301442.5 84680.16 44232.3 49617.75 104193.59 34459.73 74360.36 233348.4 449469.3 470013.6 189654.6 175718.7 124413 529758.8 993496.6 2238911 164645 2991644 253276.7 26984.17 61759.42 19030.19 48025.48 20700.07 48495.81 86145.7 482084.1 145090.4 71352.7 86406.84 68001.82 FAD 88473.4 9576.69 44417.77 39250.89 42894.44 46362.18 40702.67 72407.51 51884.54 53203.05 58712.75 47923.41 63927.61 41358.29 24385.06 39187.32 45423.45 45364.86 5612.58 26222.7 56251.67 42482.87 4099.26 14121 208381.5 177307.6 234972.6 206338.1 204951.4 184085.7 256259.1 146283.9 273826.2 110146.8 150073.4 89941.44 fructose-1-6-bisphosphate 22.78621746 34.43435882 13.39482927 4.239146744 4.067813838 3.424086232 9.31128155 11.05191797 4.513279393 10.37233527 2.352291114 1.507578284 65.86740386 52.63135065 47.60195451 57.52035214 73.66331583 48.58509525 21.24172507 21.07954505 52.70434679 45.76479677 22.56291736 24.84425471 776.1072764 478.6688133 607.4740174 819.0105489 681.0510995 899.9485162 990.5001884 340.0866652 615.9401323 527.2815185 664.7289359 570.7683062 102412.6 69996.51 78221.13 88343.77 175708.3 148982.5 104358.9 135222.8 219700 49357.78 106103 33000.75 Fructoselysine 6-phosphate 8455.5 12579.75 7747.09 9281.06 9945.05 11366.97 7649.32 6851.76 10478.73 10409.87 11078.76 8025.98 31627.31 27065.23 22037.62 30253.33 29490.55 31884.59 29099.31 28703.13 45533.59 37940.15 38277.64 34081.25 12076.89 15830.59 9373.04 14212.6 14366.76 12308.28 12955.3 9143.38 13460.68 13996.93 13647.3 11763.98 36970.74 35966.99 48044.38 32082.81 29513.88 29418.71 53529.3 29939.06 42585.17 23285.77 27415.98 20550.16 Fucose 1-phosphate 47898.48 71306.99 42854.83 63956.06 42426.42 78389.8 57705.59 54706.04 36881.68 46046.17 26793.11 42249.88 fumarate 482804.03 231835.33 454523.16 429094.38 322498.28 324339 278758.16 439874.66 391959.88 487400.97 339844.34 254484.56 658501.12 538207 403794.41 771902.19 688706.69 383999.03 286117.22 345687.94 703108.31 506515.38 281554.91 319575.06 214669.17 339229.47 223986.33 231503.88 250512.45 236054.58 323912.78 295615.41 271423.62 341951.97 296979.84 312763 1462017 2049281 1572447 2016147 1400589 1834360 1455289 2181549 1653353 1797479 1427314 1917372 5530452 5484932 4860650 6721288 5566196 6378272 6699198 5081761 5226390 4755814 4377848 4318371 19275.78 19500.1 56521.02 31126.95 17761.15 14448.59 21954.87 15647.73 16923.02 40996.54 13079.07 25782.7 Galactose 1359274.38 875854.5 1277897.75 1357444.75 1054370.38 1222510.38 1545722 1800012.38 965994 1475397.62 1324199.88 1130036.62 19205766 20538026 12372401 17853456 18426854 20653902 5254014 13757871 23101456 17912750 2716405 9120445 505401.66 856392.19 383737.16 437461.84 443636.75 453714.91 434480.16 692094.56 501127.66 457720.59 393247.84 420447 Galacturonic acid 21258.27 15155.2 18146.51 19999.27 19031.13 19894.09 17923.35 13928.21 12798.6 16562.18 19131.17 15337.36 233022.89 221058.75 142270.7 185548.75 259775.05 243692.11 240479.48 236639.45 364462.22 279037.91 327806.38 246184.39 1716.94 3102.62 2021.38 3894.17 2791.59 1789.29 2236.74 2439.14 1373.65 1027.89 3059.86 2483.83 gamma-Aminobutryic acid 7090904 8474077 7680530 9800969 7491038 9497715 7903632 7069280 6194132 8572223 5124056 6757950 gamma-Carboxy-D-glutamic acid 25864.66 23615.19 17446.03 23664.25 22382.45 26435.04 18897.95 19699.85 26214.98 27927.68 20756.88 17400.58 gamma-D-Glutamylglycine 6235.651 3132.234 2947.012 7652.254 9757.421 7922.695 4978.875 5609.318 4763.81 5916.446 2760.971 5164.385 4581.059 8671.182 6643.706 6465.651 6581.633 8105.147 3506.755 1948.683 2688.055 1137.814 3484.6 3449.196 2832.993 1161.286 2541.315 2798.029 1830.952 1750.131 2807.139 2228.017 2232.661 2362.3 3406.708 2625.6 3519.427 8159.681 8286.059 3539.179 1910.53 6104.49 5318.33 3827.72 5033.89 4737.34 5499.22 3562.87 4415.07 4967.28 6164.13 5856.46 3513.77 319679.25 246608.61 182131.8 125465.68 287607.25 315141.28 32476.58 22460.7 51246.48 44886.13 36829.53 23286.98 12127.95 15796.3 12024.33 13002.77 14483.42 15254.56 14510.86 17059.9 17996.8 16762.12 14183.38 20404.53 218170 94579.1 157476.2 88575.48 165592.1 107763.7 159970.1 131949.9 245927 105372.4 164695.4 94111 GDP 7890.72 9464.48 6788.41 4502.78 8731.47 5664.94 3641.61 4055.79 2829.2 4479.94 2741.68 3276.2 120858.25 32790.07 58645.33 52347.41 55463.05 59108.23 46745.59 44491.66 133458.52 89086.77 98468.15 91849.99 7912.59 4773.48 9042.6 8683.5 6498.96 8103.93 12221.48 4519.28 6429.68 2814.73 6044.59 8173.82 22182.52 18050.43 14195.2 18510.15 23473.3 22039.29 20245.83 22180.26 23880.42 8658.503 14228.79 18603.38 35023.1 20150.37 31555.31 20969.69 18120.59 24281.27 36046.94 18641.4 37321.07 19065.9 18044.85 7860.052 GDP-glucose 3240.54 4267.13 2130.14 1583.12 2113.72 1379.02 1273.48 1252.3 597.53 1717.82 1133.49 452.1 27300.38 11239.75 10906.17 15929.24 17966.01 14978.57 7663.4 7702.66 21569.5 11982.17 10138.93 12020.08 3058.74 2482.58 2774.75 3406.81 2543.25 2999.97 4160.57 2904.24 3152.24 1144.26 1840.57 3063.48 glucono-lactone 7042.83 5898.57 6454.44 9604.31 8600.8 6049.01 7977.9 8524.84 6544.95 7392.2 6222.89 4302.36 158233.52 175952.88 95454.09 144396.98 150196.19 163362.75 47450.56 116924.01 209312.7 151764.22 40883.61 76795.59 3667.95 5154.81 3016.48 2606.22 2190.14 3928.12 3261.98 4376.49 2598.55 1733.19 2178.12 2577.98 glucosamine 19899.18 17174.55 14027.5 19737.03 11951.91 21939.15 35235.2 31207.19 31091.45 39750.3 40620.36 19597.98 64401.61 72023.69 54403.07 49541.43 57861.08 91522.4 196219.05 187395.31 254993.95 192290.56 241041.77 203148.92 1651.5 1158.96 940.03 1266.86 1475.25 1260.21 1331.21 1181.72 1091.97 1019.55 1098.39 839.31 2072.621 3132.574 2752.428 1666.371 3028.225 2260.048 4015.961 1371.936 2932.521 3163.046 3222.274 2190.205 139903.6 333939.4 132749.2 89851.07 161046.7 87637.07 199084.7 491966.1 189875.8 316756 143679.9 84971.78 glucosamine-1-phosphate 29375.66 40833.81 33692.86 47355.2 38076.54 30863.56 18531.26 20557.49 63208.32 44957.07 20041.88 19686.49 185360.44 250957.5 143837.62 163256.98 165528.8 207409.38 188520.56 221204.42 223202.88 211601.19 143219.39 222200.83 35934.43 22679.13 26002.6 22500.31 22000.82 32415.46 41662.68 37119.28 70463.98 24210.44 36261.61 9259.848 187235.7 60914.46 173838.1 111350.6 251785.9 262484.5 184296.6 98799.29 190827.6 60780.5 77422.37 79641.8 glucosamine-6-phosphate 908.7753 990.0587 253.549 542.8068 883.6311 1005.097 616.595 1229.759 1163.185 763.7313 572.0366 745.6006 940.8337 1092.592 955.4282 765.8508 766.7046 733.5159 893.3329 823.621 970.5242 711.3279 574.613 1246.513 916.7717 737.989 1111.044 887.9179 687.0435 684.9464 862.2651 1269.442 1045.329 865.3216 1045.879 800.1072 850.0731 731.4488 825.4455 863.2989 825.879 Glucose 7460366 3581731 4163724 4455974 4092631 3674339 3945497 3090494 3736091 3055639 2219576 2485139 2312516 2898673 2441362 2609624 2778721 3941351 3508410 2429513 3970295 3582295 4733234 3530420 3347105 1954530 7834538 2496791 2494744 2072136 2588839 2766443 2245869 1998128 2535525 3717403 2879143 3250977 2847496 2611236 2140705 1360609.5 877071.31 1279042.88 1358687.5 1055665.62 1223691.25 1547216.5 1801599.62 967168.31 1477093.38 1325273.38 1131510 19213438 20543290 12377309 17859814 18432350 20658984 5256601 13762683 23109008 17920440 2717783.75 9124410 506220.09 857570.19 384517.97 438060.47 444559.75 454762.97 435338.16 693129.81 501906.16 458570.5 394078.66 421371.53 1149262 1199526 1105228 1088260 934172.7 1460766 1800476 1557918 1219452 670405.5 1646128 885719.4 7901880 3059559 8152786 1874456 7617702 3701110 12399450 10888590 11907060 1492386 7489438 2352292 646175.1 694612.1 491509.6 905011.8 733147.2 985937.2 1063189 1166470 732207.4 1076672 628173.6 1164309 glucose-1-phosphate 1467.338 1425.95 3412.459 2431.184 2258.884 2425.067 2667.38 2844.268 1437.277 826.41 1731.492 2527.668 2168.922 2069.606 911.7112 1283.187 1422.691 2699.822 2271.567 2924.075 1403.209 1304.708 3167.536 4153.116 2838.193 1772.595 4257.829 954.889 1223.712 2318.618 2642.352 2758.125 1401.61 1435.017 1431.492 4414.21 2801.827 2555.169 2766.2 2485.683 2633.228 glucose-6-phosphate 17687140 6232304 18242020 9537099 27673490 23342880 18996350 8010092 16178430 5444196 6167600 6366254 Glutaconic acid 521836.53 276553.84 638263.19 581399.06 350672.47 490912.97 887597.5 1119818 977669.06 1052800.38 1019796.5 879871.06 343847.84 310686.34 210748.88 244896.81 285687.09 162363.48 139522.3 128305.03 432026.91 207569.5 157906.69 191443.95 183813.45 191706.02 194909.12 295717.88 230508.86 195595.61 218400.45 261474.17 287221.56 260095.8 238265.98 180914.05 136929.2 102505.1 90527.23 111682.1 105281.9 122910.2 100105.8 127572.2 148861.4 102028.8 106544.6 89557.96 1383878 1815574 1816998 2402348 1856016 2374661 1610468 1134830 1302721 1971880 1009701 1801160 15106.15 37111.7 7483.186 18569.76 11545.02 14893.14 17885.53 16905.02 16497.27 27364.81 9658.453 26010.64 glutamate 44482.86 39350.9 41068.82 35944.64 45046.86 36316.37 33356.66 38219.67 40529.68 37011.1 20933.51 42143.29 36461 41932.74 44378 34830.02 34853.01 47634.61 28028.43 26372.52 28877.14 24653.54 37067.97 32500.3 38901.02 28439.66 20496.51 30371.01 16959.15 18790.78 28343.51 27551.16 24999.76 26695.94 30705.99 31644 32691.32 45128.22 44743.91 36744.24 24989.82 1414480.5 1987410.88 2219245 3435578.75 3128879.75 2633017.25 1745214 1511089.88 927830.75 1492883.38 1958016.62 986382.69 3827473.25 3059468 2140347.25 2257957.25 3180741.25 2728701 1519209.38 1881339.62 4095450.75 2949538.75 1828520.62 1236629.5 1383209.62 1303162.12 1590249.5 1578786.88 1296123 1347809.5 1262371.88 1493137.62 1953128.38 1707255.5 1337237.12 1413535.12 16841160 18430110 16736130 16021370 16903130 16762710 15402650 18242580 16949760 19038200 14480790 15151210 63464020 75813080 71182150 87674840 69466250 86760420 71325540 63034570 56936010 73849000 46174880 61141230 227131 196430 161406.2 297753.3 330616.5 226166.4 573557.7 294593.5 308254.8 376131.4 300366 212612 glutamine 1501318 1434091 1337218 1376665 1353760 1218782 1259258 1262178 1389034 1167186 1035023 1260330 1212528 1157543 1003675 963880.4 1064768 1210220 794139.2 662392.1 925789.4 833056.7 852700.6 813946.5 893965.2 798306.5 808271.2 831112.8 1028610 581476.8 964273.3 879688.2 712465.6 625270.4 739004.5 612288.6 769135 1096723 1130336 817901.1 717534.4 1025474 881718 1002154.69 906217.5 892997.25 1213677.12 632855.06 763591.69 1123520.88 1232371.12 972553.5 564802.81 4385596.5 4435309.5 3431134.75 4940388 4667003.5 4677782.5 1717030.62 2157442 4780140.5 3782841.25 1576541 1344406 1334125.12 1380037.88 1090059.88 1421275.62 1233370.5 1533764.5 795220.56 1000748.81 1266588.25 1089917.62 854013.69 928828.06 12238830 8352142 11549990 8323074 11176200 10128190 10475580 9718207 11437780 7339244 11658680 7214962 52595910 28873050 52198110 34290720 50349240 37234540 54307650 37482140 50742840 21767590 39734400 21910380 203298.5 190266.2 126513.7 158687 188521.8 199900.7 307017.4 266806.5 244775.8 346469.2 190706.6 242968.6 Glutamylaspartic acid isomer 56312.11 32066.52 55040.31 40527.89 51328.84 53689.17 61019.39 51596.27 47393.67 34318.31 44388.19 30601.98 Glutaric acid 90409.96 76560.61 99077.65 104666.57 75912.21 97553.79 110810.96 124593.13 67713.71 103593.82 103976.65 95563.28 1015843.44 1081538.88 729277.44 953100.75 983367.69 1068343.5 811027.31 820215.69 1163380 993257.81 859573.19 873298.19 49268.82 104541.62 49089.66 59028.24 62022.38 63540.03 61255.28 92516.52 72545.7 62807.73 53572.74 56910.74 95925.34 79279.71 89671.91 100903.4 74776.19 123627.7 150013.8 117834.3 103138.6 56589.89 132679.2 59911.41 255709.5 115902.7 257046.2 64614.41 240683.7 116968.2 350630.5 341554.2 338722 60432.3 228228.9 99462.69 glutathione 1571.45 1727.82 2011.63 1934.95 1529.38 3016.59 1070.04 2544.86 2357.74 1630.61 3878.63 1433.78 951269.31 661634.56 535382 1564516 1136132.38 931672.75 444721.72 906275.44 2937721.25 1562489 1132496 699574.06 4103.64 5590.09 5598.41 8758.59 10413.13 5775.9 5533.02 3072.76 7018.1 7587.67 6139.34 3005.68 glutathione disulfide 44404.07 39584.54 19405.22 14780.88 18244.56 16418.41 12119.67 20948.71 11711.6 15519.42 17771.98 7079.28 1095053.75 647288.62 442659.03 922497 673136.25 543774.56 532441.94 810419.69 1526631 946753 650703.19 621795.19 27268.48 33591.62 28823.1 31451.81 35578.12 35819.98 39137.14 25774.75 33472.57 33739.07 25927.47 24744.63 49105.23 33439.62 37673.71 34574.18 38820.2 35710.55 51523.01 46921.76 59115.18 38722.5 27368.25 31696.83 1037178 600409.2 860536.6 649168.5 902184.2 553552.2 1304581 996836.8 1216380 482878.7 513671.8 408761.7 Glutaurine 5429.494 5648.172 3666.814 5512.783 6557.095 7132.612 4486.034 4134.787 4921.494 5632.717 5467.012 3841.688 3569.614 5675.194 6500.724 5198.012 5779.88 4962.595 5201.147 3768.46 8672.145 4621.198 4325.314 5695.631 3921.875 4066.736 7876.459 3374.783 5118.947 3692.601 4316.827 4115.145 4420.314 4423.719 5925.745 6246.226 7025.969 5218.741 4987.004 3619.373 3241.841 23003.46 18014.1 21888.02 18935.87 27538.6 19436.81 25724.23 26115.56 28805.26 18579.77 23848.04 20258.76 Glyceraldehyde-3-phosphate 33155.34 59545.6 30369.91 18282.38 33368.57 18820.38 5354.89 18087.11 13118.23 9773.68 7400.95 13258.74 45336.77 48140.42 37563.58 56689.78 83673.2 40257.06 17495.53 38369.93 76356.5 57316.25 9101.11 24944.28 342052.09 404947.41 214495.38 266636.78 270297 342775.41 338888.28 387104.09 384835.91 343572.16 236197.83 361334.97 74189.92 40750.66 54383.45 47988.45 46380.56 69545.72 79763.49 71201.95 135615.2 50170.29 70316.07 15461.57 730067 371077.8 696092.3 433316.9 902271.2 586795.8 726484.8 322100.9 641790.5 276391.6 299190.1 296177.5 glycerate 45557.66 37232.48 29952.41 29556.71 43038.92 30190.91 23232.3 23417.29 26639.11 26340.03 17535.11 19694.09 22279.63 27544.46 33942.61 27555.61 29677.68 30696.16 26789.45 20743.44 43018.52 23976.74 32691.38 33044.8 30141.74 18497.49 31224.35 23299.84 29695.04 21313.21 19010.8 24738.98 24948.23 27582.78 33846.23 33947.79 29937.33 25163.18 28157.67 28776.67 26973.44 97464.6 104894.1 94667.21 97469.99 91953.78 93122.45 104416.1 95482.56 104117.6 79595.91 96784.57 98174.12 122917 74368.77 89846.16 114879.3 91885.26 114377.8 108965.3 116310 127629.5 65701.66 90271.21 119814.2 Glycerol 3-phosphate 714803.69 1338220.5 1394935.25 1376793 1289457.12 1343493.88 340652.91 978003.31 599742.44 1127081.62 318278.66 607725.44 7785440 6936600 4284722 6421820 10101767 8545371 5705406 11155853 12474656 8951345 3069886.25 7157626.5 3564542.25 4012957 2605877 2816556.75 3218951.25 3467500 2761156.25 3817290.25 3160567.75 2418775 2694862.75 2912192 4176538 5416234 4508745 3815977 4375120 3787688 4368602 3949855 3815769 4611134 4434210 4996886 17188930 11287050 13187740 13541740 15425210 11722920 21397180 15075810 19824120 7584220 13269930 8412839 131328.5 119583.6 98126.24 122468.8 110430.5 80238.96 127097.9 94449.24 131897.9 147481.7 88150.78 96762.65 Glycerophosphocholine 8511.07 8218.93 6478.99 6488.96 6700.26 10071.79 4434.44 4994.61 2958.06 4565.63 5201.05 3610.37 31842.77 28196.7 12242.78 19997.33 16961.32 24329.26 11078.85 21669.15 21473.22 11594.44 10531.48 8049.97 130620.4 136211.5 118983.6 83665.79 108288.1 82201.54 114861.8 139371.9 124246.7 120984 108556.3 91604.98 3535.21 3342.511 2840.056 3087.702 3585.277 2395.716 3508.312 1929.289 3384.165 4661.824 2095.318 2044.84 Glycerophosphoglycerol 145001.88 140972.03 112574.57 122848.74 142717.02 185467.62 92860.96 101226.62 120954.95 119169.24 111818.23 94361.66 373126.75 326123.84 206141.77 316891.28 251461.48 260585.88 305752.41 380033.72 566748.31 331314.72 228151.58 215810.86 18000.15 19737.24 16223.49 16620.54 20053.22 17248.81 19380.09 23881.09 23261.93 23067.28 19651.95 23195.01 Glycerylphosphorylethanolamine 5681.064 5411.392 4421.689 4735.086 5004.455 4639.956 6682.736 4627.904 4290.711 4454.283 4003.251 5167.46 3761.196 6687.644 3936.612 4386.229 4578.461 5752.952 7974.449 6050.921 8142.273 7178.299 7531.06 8682.748 7220.732 6839.887 5170.618 5715.879 4378.086 5254.576 9595.971 5373.307 6838.219 5226.873 6123.402 6298.293 7059.518 6548.223 5113.161 5520.418 5261.487 1725693 1389616.38 1434583.12 1792406.12 1840616.62 2310656.75 799327.44 714536.19 636014.31 761698 884346.19 490459.59 5522178.5 4572858 2436118 4981148 4394024 6679974.5 3019776 5274875.5 4647912.5 2946581.25 3240146.75 1901522.5 78454.45 121832.27 93796.81 84381 98736.29 98002.77 177073.77 162751.67 150670.86 134524.19 143925.45 139408.67 3276553 2836583 3469379 1462744 2793670 1471770 4208618 3771468 4062689 2374948 3639910 1631797 449182.7 328648.5 299281 427074.6 311404.5 281223.6 323973.2 321275.7 495013.2 611967.2 246154.1 367676.8 glycine 53914.11 45210.34 45928.62 70905.52 60644.05 60467.53 57187.34 68623.95 60447.37 55013.63 44519.86 72586.01 66880.65 67554.43 51377.35 52900.78 57516.09 61619.89 34419.05 30021.1 26498.93 24935.12 32231.47 31109.58 68813.18 21615.95 30013.05 30553.49 35342.47 23323.9 35604.46 33347.15 24378.38 25589.18 26611.62 32045.93 30638.32 52990 67262.71 35969.81 34904.76 109620.66 97421.27 118443.62 110905.18 90370.73 116922.28 53901.71 70337.44 71334.41 100836.66 69384.97 49831.62 659289.06 593122.56 467347.25 543703.31 640873.56 638499.75 599960.44 729659.56 1119071 872204.44 474166.75 479593.59 718269 635537.56 509564.59 913942.5 692228.25 835039.19 510797.75 434375.03 471343.5 632953.19 576802.31 539549.94 293685.3 226866.2 267116.5 210066.8 333905.3 202047.1 270302.1 257876.8 274077.7 185211.2 287493.4 249706.6 3520030 3804925 3510747 2558058 3360538 2441860 3933404 4004936 3482217 2900105 3199317 2662386 17870.63 15509.31 13441.35 15612.92 18358.58 14019.09 38701.61 18393.54 22992.32 28241.66 33372.47 17412.37 glycocholic acid 4278.1 2894.894 163.0173 953.4246 604.0304 410.2336 856.149 123.4028 503.4996 853.5287 447.4781 9616.594 890.207 2583.393 103.4608 1998.117 489.8358 663.5242 1539.459 186.6534 15733.07 10426.28 586.9998 748.2319 137.9121 575.6208 701.7891 1503.48 2967.736 564.4948 940.0566 1167.827 3459.355 507.473 2686.076 172.6649 176.6001 136.7315 121.6012 235.0925 407.7011 glycolithocholic acid 16293.08 8466.513 19110.14 8166.97 16936.9 8520.954 9271.069 4101.154 6924.167 4836.904 6966.654 10419.35 Glycyl-glycine 60227.16 68852.01 64879.18 69405.88 69213.45 80821.54 84632.13 89690.98 59023.11 69480.41 49470.49 58618.16 Glycylproline 162290.9 100706.3 145250.2 125871.3 154867.7 123000.8 243852.7 109576.8 191288.6 63000.6 149426.8 65068.77 GMP 308650.75 397706.25 251970.52 275565.47 312975.03 351955.41 71682.16 103185.06 106869.91 116719.12 103717.62 79368.57 506740.75 271784.41 305258.72 422127 362979.12 430655.72 1234546.38 1100315.38 996089.94 791921.81 1740597.88 1127028.5 17120.85 46694.81 15891.4 18231.95 18222.16 22298.28 31408.48 89314.2 25900.9 13375.54 49945.26 18639.53 258138.2 218229.5 286363 254126.5 293380.7 292269.9 299340.1 275558.9 259614.1 227419.6 214024.3 245587.1 678136.3 826842.3 434957.6 742263.3 562112.4 451185.1 825699.2 925001.4 742063 489101 768498.3 423650.5 4685.206 13871.5 3041.356 3592.073 6684.484 4857.311 9286.567 6719.104 2823.514 22917.28 4699.638 19413.3 GTP 5234.36 4149.715 2150.246 2690.174 4049.847 4524.881 5296.207 5230.662 6709.173 1603.503 3611.047 3754.869 Guaiacol sulfate 32920.03 81482.84 198676.8 98085.62 3689.493 50264.94 19765.86 4201.996 9774.315 6103.976 7336.91 4052.021 22295.86 11933.99 16375.47 13624.9 4022.477 8866.884 8227.055 3965.327 25893.45 74082.21 0 13379.38 50825.58 1522.799 11011.79 5377.032 2971.226 1109.005 6123.894 1623.297 3797.228 8483.054 10777.02 5094.484 10345.91 18305.14 2783.699 5004.925 1257.393 3381.307 4508.936 1964.122 1678.981 1986.065 627.5118 4672.707 3502.064 1968.275 2597.372 4227.107 2084.204 Guanidoacetic acid 1015.044 1312.554 955.0179 955.5506 901.4193 1073.849 1031.029 727.479 928.3626 1123.976 1033.348 2008.739 989.5945 791.1413 1183.187 733.0593 1393.308 955.4387 1057.742 99.46881 1513.619 1028.925 707.9431 839.0034 595.005 690.8234 1124.801 906.5092 3507.748 796.2062 1166.564 863.3782 851.7546 430.7968 852.0016 675.9879 1037.67 421.9869 216.6166 538.4515 248.5241 36988.93 38751.18 30318.78 25850.18 24410.06 26467.74 37492.37 30153.8 34221.57 29779.86 21383.55 30369.68 Guanosine 5434.8 6554.79 4954.05 6634.98 8002.49 6500.93 2146.21 1948.8 2034.94 3621.18 3010.25 1455.72 48829.39 22907.52 19362.84 36270.72 24934.69 32518.13 54913.33 33867.43 56375.78 58371.19 84543.62 38412.52 855.02 1030.38 314.14 358.58 709.41 724.8 3483.95 3516.53 3989.46 2695.42 3467.4 3228.03 41171.47 71782.01 40292.9 55286.36 43608.05 29808.18 63054.92 113941.7 48238.42 65717.05 75384.79 44225.42 1076.897 753.188 860.4555 1094.648 1168.036 1274.25 2408.795 1003.005 1108.38 3965.064 1609.33 1050.251 Hecogenin acetate isomer 2 10402.6 43824.72 2712.061 36248.55 2383.633 17562.19 10368.21 26918.97 9165.995 44782.22 17930.69 28286.13 Heptadecanoyl carnitine 19020.29 83775.2 14322.88 65996.99 8063.209 44084.33 4094.554 53876.38 6762.585 67665.44 8170.846 84764.46 hexadecanedioic acid 26744.37 31407.33 23309.28 19645.42 27676.53 18176.29 23634.99 20146.89 26251.31 21327.05 22506.85 30037.31 14443.04 18564.52 25908.3 22669.97 17906.83 14618.41 37815.44 38862.05 54850.22 44260.8 27037.1 29481.36 26897.14 20691.55 34179.25 29439.97 54444.71 27557.9 27640.48 43946.17 33690.15 32275.14 36100.5 22769.58 20115.32 22710.1 21559.21 34606.32 22025.95 31267.38 16730.49 24939.22 16828.35 24548.18 15540.05 115464.66 69777.16 85243.49 137818.11 183604.61 63278.75 43528.26 43068.91 28074.99 35494.71 66515.76 38141.82 411974.75 335951.34 278929.16 479863.47 809225.56 249205.44 22175.41 25037.21 26475.47 19497.29 25744.64 23431.71 22790.18 18067.65 21933.91 24981.17 38318.26 23722.97 Hexanoyl Glycine 289746.1 146963.7 70933.63 191825.4 352390.3 199100.4 238343.4 207574.6 212124.8 226642 372878.9 384162.2 110252.5 248838.3 215982.7 240167.6 237445 198864.4 607929.5 198251.8 353824.3 481562.9 499555.4 523193.8 599129.8 103291 712575.3 343962.2 188762.9 496263.8 758404.2 485512.5 346469.5 476607.9 675639 473460.8 645049.3 191001.9 162204.5 443380.1 317989.5 259672.17 297585.84 259355.88 252758.44 216045 268128.25 904711.81 799553.25 498721.91 633769.25 1031563.19 717372.31 1137574.5 1123321.88 831493.31 758708.81 1004553 1399003.5 2082253 2311636.75 2154083.25 2146078.25 2141686.75 2586079 61526.75 135023.59 93086.68 975468.69 129966.73 145811.45 421118.41 272262.84 230007.45 253001.77 396249.72 275564.03 359640.2 1562134 488664.7 1340824 469739.5 1021103 486483.7 1221596 398755.8 1353095 484409 1241871 356924 952716 488464.1 728570.7 439780.9 480804.4 428037.2 1355621 521512.7 985816.2 541967.5 915314.3 123305.7 189888.5 75371.13 240863.1 90091.27 143158.9 106173.4 309221.2 80915.23 494484.8 80540.9 521910 hexose-phosphate 235624.75 764736.31 588556.75 246761.75 232789.2 224439.86 164154.28 296423.38 206888.56 243942.38 194148.25 163836.77 5464336 5981242 5368036 6873113.5 5933695.5 5123053.5 783717.56 2614859.75 9964197 7161020.5 287620.66 1797758.62 32627234 39262464 20846114 25070168 24822186 33059048 33057496 37592836 36721108 33379534 21568038 33253686 4859714 2996012 3520356 3079830 3156683 4529840 5306640 4750398 8805601 3560053 4717532 1121548 21169.95 18568.42 15084.8 18697.01 22016.76 11500.22 24237.8 9479.855 14890.57 22844.01 16075.27 10350.09 Histamine 48716.06 59883.48 51245.11 50467.79 59275.12 64522.09 44281.22 40949.84 52467.52 49718.38 52785.94 67600.87 histidine 12682.84 9884.39 14502.98 15037.07 17047.2 14391.07 16415.61 16666.79 13400.03 8780.816 13569.31 13693.92 17006.79 17722.54 8472.512 7260.371 7142.781 13797.36 7894.071 6870.562 8370.128 6932.059 15767.04 16208.46 15127.46 12793.58 19344.19 7566.35 11590.62 13992.8 16418.72 19907.68 8813.161 6982.776 7962.738 12109.65 6751.195 8666.381 9763.649 8262.731 7742.062 3645.06 4300.02 4726.92 11107.23 17368.65 20787.6 3302.28 1792.59 16223.77 15351.96 7375.75 10526.89 288513.22 307935.16 248418.12 249702.48 316860.25 364451.91 256487.56 197766.81 264297 296277.12 264695.22 332724 11730.63 10021.03 8375.25 7182.855 11015.72 5725.215 10161.06 6984.732 7798.352 8522.394 6058.824 8437.669 371060.3 230180.5 222753.9 204717 228526.5 185024.5 261228.8 231890.6 232011.7 153820.5 179434 149365 Homocarnosine 9272.245 7209.561 13523.45 16945.58 13182.26 12287.7 12210.9 11688.93 8516.786 6423.094 8745.942 9679.077 11721.47 10191.64 6961.318 6935.918 10967.27 17642.65 9260.368 8134.707 7964.375 5800.891 12659.6 13589.7 11276.25 8983.681 10302.8 5620.58 2443.849 8766.262 8342.197 7967.258 6383.233 5051.837 5354.381 12443.46 12496.52 15062.9 13635.51 10937.51 14716.89 30045.96 447583.41 671362.06 160455.33 30459.08 134929.8 37202.95 34490.66 64282.25 62273.78 108178.52 57729.22 21442.19 22108.02 15557.41 20154.6 23564.91 14233.64 28536.43 14680.99 15111.76 13187.55 17880.33 15323 47427116 45869620 44512900 48372788 49589396 48139356 46153500 44217708 46660304 47862416 41860848 46829716 Homocitrulline 6556.264 6509.077 5418.592 5373.332 5142.068 4825.77 6624.416 3515.003 7717.667 6128.961 7474.416 7050.359 6006.174 6912.582 5182.535 5105.941 7258.75 3771.04 3654.756 2091.223 5569.422 2927.084 2587.16 3303.556 4433.408 6436.868 4928.073 2323.237 4210.05 4866.665 3117.341 4434.07 3880.553 2859.461 3575.15 4609.068 3121.045 4427.468 5580.594 2764.718 2644.616 Hydroxycitric acid lactone 2836611.25 2409463.75 1959041.38 2066515.62 2189372 1770727.88 2534600.25 2237113.75 2226978.75 3236422 1716817.12 1704766.88 3407126.75 2980669.25 2029338.88 2815839.25 2628778.75 2641493.75 2342184 2510700.5 3224548 2543703.75 2520037.75 2222028.25 1088742.88 927094.81 1002750.19 1045919.81 962743.44 1133848.88 1128856.62 989057.5 958414.69 949299.06 946286.44 837510.19 85306.3 82171.82 102367.6 129380.1 122770.1 46060.66 123430.4 158537.5 75870.92 202658.5 203284.3 123585.3 Hydroxyindoleacetic acid 2501.693 6756.082 4449.656 2728.243 3638.185 1687.113 2837.986 3199.265 2954.085 4885.522 6526.426 5317.183 10373.82 7738.64 2667.724 1896.086 3745.753 6727.461 3883.439 2911.679 3328.783 2156.547 3059.115 893.857 2015.857 2112.64 1964.144 1727.608 2626.79 6298.119 2809.793 3954.07 1730.179 2099.994 2154.467 2239.645 1567.633 3814.784 1678.296 1697.792 2242.794 hydroxyisocaproic acid 183805.5 94152.4 119862.44 123603.44 98160.65 94915.68 146242.86 160621.89 177396.19 198913.33 206008.89 162807.2 126449.04 93608.2 96121.84 111196.68 105627.04 96008.34 141026.39 134784.3 179551 137168.52 199816.52 148509.94 128676.48 105866.27 98435.23 119563.46 115331.46 91483.26 144668.94 118707.51 124761.54 129326.79 174291.72 129326.44 70040.76 92831.53 52044.34 82672.04 70714.28 105615.8 87448.41 143485.8 94440.98 108772.9 63050.28 80953.29 727881 531245.7 395268.8 508697.1 503165.2 534992.1 619922.8 650391.9 581986.6 593426.5 474335.5 564163 48443.79 53228.64 39081.86 52994.56 41487.14 61311.07 59545.29 68208.03 38050.25 75510.41 40875.69 75844.95 Hydroxymethylphosphonate 48274.26 52799.25 46902.02 45689.75 40005.78 44583.16 44103.5 50394.72 34919.5 50923.79 40216.19 33430.48 381975.53 268580.19 191640.75 233031.3 279249.34 235683.58 232518.31 188624.62 295127.25 264578.59 230898.8 224525.67 84202.88 97618.85 95878.82 97924.12 99456.34 84670.49 113205.54 72788.55 85085.22 110076.77 93735.59 89701.4 138391.1 164901.8 216226.1 140308 215933.6 97173.38 221205.5 149880.4 187575.6 133470.3 162190.7 118059.1 hydroxyproline 6942.21 4439.81 5706.17 7389.76 5961.16 8358.38 3179.84 3486.51 3550.38 4275.26 4601.4 3154.12 8377.61 6092.61 4031.07 6267.16 6099.6 7664.79 12976.79 9000.52 11219.87 11021.87 16982.4 10997.7 56427.29 65368.69 54721.73 128365.52 95818.48 112878.66 78228.55 63546.97 57414.31 76159.41 81532.5 63470.44 413120 398639.6 373517 342947.8 318373.7 237854.9 485551.6 341633.8 388700.4 378993.7 320552.5 269682.5 hydroxypyruvate 201738.9 194042.7 188989.7 180309 188762.6 186700.4 218121.9 208114.3 212007.5 144920.8 187080 192603.9 Hydroxytyrosol 4'-sulfate 29477.69 28715.94 16293.41 17358.08 8336.29 12098.26 90123.69 78400.81 28426.73 35139.38 61661.08 40740.42 2020.81 2348.88 955.68 2203.46 2208.3 2424.81 3747.54 4126 4972.02 3522.46 3161.68 4359 566.22 1244.21 982.46 4899.99 1202.94 1286.57 7256.89 4585.5 3151.78 1124.66 5672 2130.49 Hypotaurine 377274 247645.55 243737.19 307303.91 135359.27 157228.67 389230.38 944347.81 603204.88 822395.56 910642.31 509591.41 43626.57 25581.97 19927.92 37279 35190.8 41329.12 906631.31 836477.25 627873.69 817171.25 311876.75 796036.44 18216.37 18613.05 21510.3 18354.49 23232.09 26563.77 17809.7 17960.77 17900.5 19303.53 28260.22 14300.57 595326.2 534715.3 487420.4 525154.8 571814.6 481987.3 491050.4 454918.8 567994.2 583785.9 533578.8 469080.7 hypoxanthine 10785.51 2595.19 26877.04 2987.149 1397.942 345.9012 8243.925 1120.056 21477.93 36791.17 2742.665 1234.139 6643.475 4430.384 82054.59 63769.34 181277.8 32833.01 16695.35 57712.96 3452.702 240.357 2953.839 1592.818 975.0635 291.8321 246.8356 242.4702 12894.07 3266.606 2295.053 11970.53 1729.384 272837.8 18353.2 128685.5 3510.573 26065.23 31585.7 62568 4811.096 71342.86 173576.27 123929.16 151621.94 139876.52 105713.71 49263.18 184545.83 60576.36 61204.88 140249.64 62380.4 134677.42 124140.96 95566.32 212149.8 184244.67 251481.75 239196.56 384419.97 129360.38 155553.27 253880.88 240302.5 4366.65 14752.19 5583.19 5903.84 5913.16 7261.39 14861.9 13268.65 12220.18 7754.13 13479.77 8925.05 232413.8 221279.3 294754.3 269194.4 258219 180350.9 306206.6 187389.8 252746.4 292299.3 225256.2 408528.4 3540670 6051464 2547211 6660082 2809474 2548397 6359256 5663346 4496662 3712135 6805300 4203536 Imidazole propionate 29847.03 51440.41 23319.41 14513.91 11781.78 12492.9 28982.29 26524.68 43156.73 15596.69 15933.88 14048.5 IMP 450045.03 1010946.69 855426.69 691831.44 499290.72 763252.44 323521.28 685860.5 595916.44 773867.81 633127.44 463399.16 1532653.12 1202203.38 945604.81 1574954 1775069.5 1804251.62 994758.69 1777921.12 1126927.5 1478707.5 382024.34 1541867.38 156728.3 1686366 200767.98 314824.38 164748.48 505187.97 155941.72 2321909.5 340853.03 80293.49 996157.81 335249.97 91829.99 253280.4 129144.4 158961.3 110417.3 172095.8 228006 186073.6 129168.1 195763.3 203476.1 262487.2 13101350 13807140 4448210 17767750 10748970 10920560 24357960 13611420 15176070 6214302 16799900 6628176 Indole-3-acetaldehyde 637655.7 1775383 3367545 1995478 2253232 2239239 3016539 2203814 1976330 1339687 2122314 883395.3 2786370 2494312 1460908 1097937 2094527 2567461 2174303 3003613 888437.3 786667.8 1955321 1463911 2705217 1381827 1990162 1554299 1955159 828760.3 1220621 1981744 2388090 848065.8 1256478 2090392 1356420 3543272 3797669 5372764 3199038 Indole-3-acetylaldehyde 485027.09 458436.28 469567.09 477831.16 499564.22 508658.12 672706 829205.75 659955.5 657506.94 715240.25 684458.19 354883 476622.16 343190.34 371766.88 501402.03 500397.28 479944 606033.94 415173.72 514713.97 722522.69 498355.41 369708.78 574257.25 442286.5 477085.12 513093.25 445499.59 910349 978282.06 888248.56 769959.81 1086776.5 1024290.75 19304.05 41281.29 24937.86 47729.53 18629.79 36101.27 40947.81 36656.86 46808.31 32654.25 31102.72 44392.16 1035967 1370438 988543.2 1940737 1298596 1629605 1444582 2293297 1330344 1451326 1284671 1915204 14860.1 19631.05 25328.95 41098.89 11261.72 56847.55 19070.16 43526.01 20111.35 37142.61 35690.2 72012.93 Indole-3-carboxylic acid 66209.21 229964.8 116864.9 47362.7 65591.9 37741.07 77407.66 59123.77 173011.7 112717.4 61796.69 26318.65 43534.4 110537.5 121471.7 42695.17 97081.53 46727.49 41375.39 144467 52363.14 64252.77 69393.91 113697.2 97773.07 38757.21 89772.84 72138.18 36604.95 21101.12 38065.25 42712.84 81422.4 69316.79 81475.48 49628.98 57285.62 132896.7 178571.8 114736.5 115153.9 Indole-3-propionic acid 63915.24 26630.73 37243.4 24436.82 26725.08 29202.22 40939.92 96157.04 42140.14 39928.25 41801.48 29099.94 20798.37 21311.13 6798.56 12298.2 11821.89 11932.88 13236.31 29548.42 13315.38 12727.85 11121.62 12801.33 10904.29 9069.51 8612.05 8431.32 11413.29 11248.62 9051.41 8620.72 5577.2 7174.7 7715.41 7063.55 70584.49 59832.65 43881.85 92841.34 47748.25 46419.5 67007.28 52865.11 39055.53 42151.13 67075.04 35284.16 36284 12625.49 8421.851 36024.95 20393.44 22483.36 28201.25 17888.62 28655.91 13919.58 28936.57 28081.16 Indole-3-pyruvic acid 92001.21 109173.6 109234.1 74612.58 48910.67 60087.91 57214.68 37059.95 41879.9 33757.7 48653.53 60685.88 51140.98 44893.67 47759.43 28661.77 49625.32 46476.93 70940.82 62592.25 110434.3 50971.83 145403.5 122188.1 80412.85 44936.03 91505.48 45476.54 38273.26 39787.36 43810.23 49030.45 66898.88 42493.1 49149.64 61872.09 50074.75 37570.38 40562.79 80660.48 90797.05 12894.64 38822.16 19876.88 51853.19 17912.98 27040.41 25349.98 28218.58 15505.37 31672.76 13316.27 46385.44 Indole-5_6-quinone 488489.2 338998.8 438171.1 615073.7 386371.7 616398.7 450689 533868.6 460300.7 371937.4 452776.8 611644.6 Indolelactic acid 23505.26 76019.57 26742.96 60193.58 20392.75 60092.52 26402.61 53339.38 15493.23 48185.1 26125.33 58380.81 62263.79 101647.5 65036.34 116433.4 54550.32 84606.16 99825.72 132486.8 202209.2 77868.53 298287.6 100434.9 7710.822 10502.76 3743.316 11707.41 4701.623 8820.485 6952.054 23491.66 7366.337 24202.73 5508.189 18631.78 Indoxyl sulfate 866691.56 643816.25 628763.56 794415.69 554700.19 555091 1319793.62 2548051.5 1387130.25 1281812.38 782169.06 1357792.38 1031109 608291 405102.59 843976.69 606601.81 472902.59 974997 1280766.25 1517900.88 808970.25 376081.66 1392815.12 226314.19 233010.73 189784.48 1069162.38 262869.41 221660.89 388258.34 477548.84 324001.91 276261.16 204441.25 291845.72 950445.6 1544170 734801.4 1953324 557278.8 1405420 1605543 1357614 706768.3 663281.4 838885.2 1502152 935191.8 1048272 687566.7 1319098 674368.5 755868.8 844363.6 859120.3 683125.1 478252.4 664250.1 1118516 248776.2 255421.4 79635.95 413159.2 96518.73 167512 475370.3 281412.6 157792.5 242586.6 80794.8 333455.7 inosine 76518.52 13556.91 33242.42 23404.92 33981.97 4692.482 37741.84 1942.301 27855.75 80887.7 16639.91 13977.19 26837.97 21960.7 354728.1 83138.74 571293.5 108794.2 49514.31 61819.5 18573.59 2512.304 32452.4 15424.49 3656.798 361.25 1453.702 2868.164 18658.48 14657.62 14779.35 40413.71 10188.39 246439.2 71719.87 267522.2 27844.14 60146.83 46271.31 104927.1 30164.23 25673.18 87622.87 55478.99 59703.11 61171.11 44279.7 22423.8 69413.52 24900.9 39841.95 50415.67 20891.45 400404.28 324901.84 163915.08 434522.78 482134.25 655855.88 250773 671336.81 235996.69 365474.28 192566.55 321167.12 5720.33 30416.6 7213.29 7842.34 5705 9370.8 14350.23 66535.28 17516.12 7955.35 21678.39 12696.49 301578.6 425935.9 488545.4 400226.1 333536.5 306914 536614 345455 403450 558318.6 434168.7 744041.7 2346284 4435514 1230048 8070374 1800670 2071989 7393556 8995121 3271594 1814582 7090722 1920636 inositol 18070682 11596773 11812132 16307268 11530185 13018667 12530141 11358739 10696857 14241344 14978625 9687190 1474868.5 1533744.88 1005703.81 1541489.5 1464816.88 1379173 1261995.12 1247322 2072825 1607105.88 1390792.38 1278106.62 433658.34 680624.69 516111.75 523536.41 642104 539671.75 754336.69 554189.44 628062.94 554709.06 765611.25 462487.59 2275545 2315496 2235769 2185581 2764430 2495436 1930522 2629809 2096037 2295689 1993936 2646673 538154.2 673926.4 671673.4 914015.2 1243497 763443 1403042 881739.8 979993.2 1741254 1520989 997797.7 isoleucine 279438.7 625395 650752.7 314731.6 294006.5 230539.4 258483.3 223734.7 292048.7 215987.2 355771.4 170822 228861.3 260496.6 269637 201118.5 204656.4 202160 549116.8 432771.1 577736.1 723059.8 486479.8 447927.6 447642.8 422456.5 469551.6 365597.6 654189.2 321438.4 456362.8 394683.2 444135.3 364094.7 402993.9 401911.4 451948.2 225188.2 335951.2 483591 442564.7 205955.1 392681.2 230550.4 266368.9 237705.5 361889.4 309066.8 399604.6 269535.6 509157.4 234681.2 301721 3878922 6365094 3749183 4437560 4169358 5246242 5916882 7897544 5147024 7117998 4201434 4842086 16704.96 34111.21 10821.9 33945.5 21623.99 41302.16 39537.5 54790.66 26376.31 99598.02 20177.79 55222.89 Isovalerylglycine 153286.4 364866.7 226557.9 240397.6 176392.9 183136.3 228106.6 381911.2 218406.9 504577.5 184621.2 354640.8 Ketoprofen 10160.91 9323.92 8314.52 9369.71 9734.72 10285.98 34307.85 23983.53 24042.48 29528.47 36018.42 41492.12 L-(?)-3-Phenyllactic acid 29575.47 34183.79 42458.39 26596.7 54487.88 23127.16 22722.58 20536.87 20782.94 18973.49 25411.3 25906.92 63632 22241.2 15958.75 20946.05 24205.81 38215.81 31619.07 30131.14 34554.7 30569.2 31917.39 36382.35 26020.55 17848.97 51022.72 19318.58 24150.65 27285.19 35624.05 31387.16 19709.17 24246.08 26129.7 25621.57 24299.53 12423.08 20488.4 23476.36 34880.36 L-arginino-succinate 2679.44 3095.53 3251.54 3033.26 3238.28 3223.82 2654.12 3910.01 3102.88 3466.78 4201.57 2502.73 20992.22 13507.98 10436.72 17513.44 17983.76 13080.25 40505.5 25497.41 36021.6 23524.71 43949.14 42812.76 2515.53 4590.4 3491.15 4290.25 3512.89 3775.29 8347.1 6878 5968.65 6721.87 6575.35 4896.33 5943.477 16030.29 7588.617 12276.41 4932.08 10767.34 5161.383 12530.76 5035.586 14124.2 5330.527 10071.12 L-Fucose 205808.5 263292.2 284483.2 165841.6 173606.6 132960.8 183061.1 132116.4 229140.5 136809.1 175369.8 53015.79 23142.09 178047.2 146414.3 148195.3 161090.7 187572.1 140698.7 131811.9 200259.5 187049.8 203168.3 147192.4 185896.6 167063.5 171114.8 176218 127002.6 112865.9 84440.93 143736.7 165193.5 161329.1 176321.2 192729.2 180204.8 93917.03 150740.5 170002.2 156723 41506.36 37109.54 43912.03 43322.85 35745.47 29778.37 52750.39 52636.16 46929.58 56169.7 39411.83 35905.48 73625.51 66529.95 52180.29 67758.25 64289.95 45221.21 62736.43 63587.73 95630.84 72995.38 45939.14 55300.13 66216.88 69028.26 71985.85 78104.51 67134.53 51866.18 75958.69 68382.1 74795 76525.96 52927.5 58399.17 281067 331231 229243.4 259261.6 295468 261047.5 320105.4 280587.7 256997.8 224309.4 204663.2 241764.5 140501.9 170082.8 127679.9 150125 165988.5 152740 165214.7 136692.3 120682.9 106269.8 102790.8 120486.5 25236.79 45642.43 17382.38 41390.83 36538.92 43166.27 52985.37 53863.31 28481.31 50376.95 18714.82 51195.48 L-Rhamnose 1553.024 1835.038 1794.364 619.2732 1366.431 1112.976 826.5223 1599.604 2252.064 1997.132 2060.293 2287.101 1605.748 2650.299 2002.084 1322.326 2141.848 2854.352 1735.345 1335.188 1640.879 1358.975 1092.182 1324.949 1037.918 650.8992 726.2083 2197.468 2885.701 1715.585 1674.943 2067.392 2147.28 1720.091 1811.516 2474.862 2159.721 1213.797 1936.19 2025.667 1646.26 L-Threonic acid 110159.4 68078.11 61998.5 68619.84 72519.28 61111.14 67725.72 61692.64 76390.8 68497.29 54424.38 51996.51 60966.28 76092.95 70666.76 69310.98 80828.57 82487.79 78683.95 31163.33 70006.38 49936.31 62043.32 66879.07 59831.31 38812.87 92412.07 51429.64 44279.95 49874.02 59158.67 65420.14 63299.23 72659.65 71997.23 72610.02 75455.74 53118.59 50546.89 42115.03 45852.53 lactate 5048560 4491572 4488161 4053263 4361542 3480503 11157080 2923121 3411251 4655036 4126313 3498685 3198086 3684875 5410842 3941417 6011492 6618490 10231980 4560606 5950334 5878164 10327140 10342240 8411605 4437072 8855027 7030572 4188567 8597727 5326594 5707996 5318698 4528214 7543558 8242064 5876122 4791396 4141177 6301490 5711766 1571.085807 2479.585948 1758.229912 1320.455654 1173.103195 1469.42804 882.0774199 1735.93456 2036.237107 2042.428355 894.865349 1366.914349 5483.843194 5000.552006 2099.119308 3132.578159 4358.055913 5233.065316 2212.861789 5755.013088 5063.759694 4358.818749 1129.024027 4229.404076 6268.160019 9574.990842 3873.367745 4015.153261 4578.260786 5974.019588 4380.404995 10859.5563 5338.23314 2880.827704 5730.975202 6612.83822 381282200 256043300 229951100 290673200 284267000 321234200 533937300 355136200 390234400 159705100 416521600 220417200 904965.8 1152862 766318.2 1221199 901774.7 794747.8 1064101 1441018 1154413 3580572 730365.7 2229488 Lactose 32702.47 6350.24 6633.491 7168.267 8955.22 3671.164 5929.582 3578.517 3763.313 2863.773 3046.341 4757.345 3153.799 23154.77 2852.827 2900.911 2856.642 4066.519 536.2117 3378.194 7189.041 4045.666 5007.042 5057.976 5096.808 4012.849 9524.355 2004.485 1766.546 2826.135 4041.968 4071.34 3149.581 2598.003 2836.169 3930.91 2734.427 8638.556 4869.864 3089.723 3669.735 5743.948 13205.75 12220.08 1858.769 25153.79 8218.004 6693.877 57605.69 6940.129 20905.38 80886.66 19168.3 Laurate 9937523 9665883 7607710 9417969 8391301 11672785 9242919 9036797 12189117 9467599 13682093 8505257 4030291 3986461.25 3927761.25 4240287 4258802 4250283.5 6149994 5863383.5 5873226.5 4268214.5 7146771.5 4526698 4309509.5 3717113.25 3546468 3382799.25 3223970.75 4862632 3600088.75 4845864.5 4145935.25 3758439.75 4084877 3746698 7266134 7361202 7011166 9860311 7807680 9090864 7593530 7672770 5908572 8309578 7027484 7181222 leucine 554801.3 1285671 1419520 593856.6 591662.5 425543.2 497181 460828 582573.2 426872.9 723266.8 352912.2 510583.5 508436.6 506268.3 374705.7 393325.6 405821.1 1095476 874262.2 1191393 1415067 959641.7 930915.3 891691.7 914729.5 1120950 695562.4 2280597 640582.5 997922.5 833705.8 932690.8 713503.2 1036483 812517.5 1112896 468768.6 652807.4 957700 899078.8 361450.2 723381.9 427970.7 474260.4 421789.4 639790.5 538054.5 692927.1 474362.3 1060109 417083.1 566484.2 6349946 11961940 6794176 7983572 7513100 9253072 10228460 13959310 8930191 16693270 7851326 8800319 28141.97 55012.39 19951.1 54738.73 42111.27 66646.77 71197.66 91571.7 43373.74 192813 35233.04 91147.69 leucine/isoleucine 92.55839527 127.0907231 100.5557602 122.0882314 109.0674978 106.3355533 130.5953458 134.5069708 122.2900035 151.6584839 293.4725212 123.7058294 308.3243284 442.0415753 279.1383264 418.5078016 502.1118005 510.5264333 1077.147871 690.3285776 985.3523525 893.9687962 1651.175081 702.4957822 184.4261553 172.5440397 168.9016412 221.010067 179.172047 180.7683948 294.6739342 221.866399 306.292311 330.2096435 445.2752879 270.8765219 Linoleic acid 355452400 178224500 141430900 251511800 252951700 228539700 285279200 212630300 169175200 219671900 297125400 317836800 174550500 185901800 210238000 177036500 171315300 200408300 405775200 291214300 487376000 451640700 432316200 447298600 514052100 291408000 393269200 273760600 314573300 365190200 421243200 294724100 230581100 183712900 226256400 281001000 291936100 262406300 169745100 297986200 272980500 Lipoic acid 517678.6 155728.8 237576.5 375733.2 185180.2 391684.1 283975.7 590717.1 698606.9 164676.6 250861.7 449021.7 LPE(22:6) isomer 2940909 958319.7 1705503 2346179 1099384 3718545 2158101 3176737 2426106 893927.4 1361902 3326155 lysine 28617.51 33244.06 20470 39229.02 31086.77 45320.29 37430.23 44774.34 37048.93 39829.22 13996.88 22997.51 60234.25 43048.41 40062.39 24718.23 29913.3 35557.14 36938.3 41610.17 40396.81 21616.97 26143.49 25252.46 30013.31 32689.49 54425.24 30650.16 114126.5 28088.66 55905.05 37767.06 37563.97 25867.17 31160.05 19127.42 38066.29 43740.06 47029.53 44974.76 30869.6 75.60947093 101.0681416 131.988748 126.849138 84.93051441 112.3332602 107.1307252 135.2062846 88.77070072 147.5257273 198.8534014 97.27745926 122.3328378 391.8864585 284.764314 426.8861902 499.2572228 452.057298 1883.323602 1295.078961 1163.040489 1303.978671 2746.316038 1318.454945 444.322581 521.249517 521.4233309 862.2566972 702.1723682 880.0974803 980.7893919 1049.691408 868.0314978 1249.337312 1767.363792 908.4256198 35710.48 37891.47 48295.52 29420.56 48004.86 27767.41 42035.47 34220.29 36606.69 56192.74 43205.86 25604.6 LysoPC(14:0) 10018.03 7644.56 6971.99 9302.2 3674.79 6727.84 6190.62 5373.27 4927.76 7095.46 6450.07 5457.83 20400.37 21218.64 17725.21 28942.37 14131.85 22505.16 31725.46 20546.59 43380.04 39413.82 38749.36 17028.81 3354.84 4654.37 3492.25 3844.54 2875.1 2989.78 2823.74 3871.14 4073.25 3194.51 4267.96 3368.42 lysoPE(16:0) 80667.2 90568.96 61162.71 73414.32 73102.1 64431.53 106653.27 87536.41 65700.75 92267.77 116956.72 68251.14 7014.27 7363.35 5037.13 10826.13 6416.09 5961.54 3936.91 9420.15 12020.27 9325.44 8818.18 5559.02 15091.91 17371.46 16987.84 17006.54 19653.63 22917.69 41649.91 39966.36 35128.69 36715.7 39206.9 35942.41 LysoPE(16:0) 79435.41 70143.91 75168.84 86419.74 79217.91 86536.68 47539.46 55457.06 65327.03 60831.43 48182.01 42543.71 250722.75 309483.25 276098.97 448729.47 438000.78 342370.72 355814.12 321419.47 636271.94 676190.25 520586.12 245429.58 32774.25 37995.9 31554.9 38973.84 41494.9 43181.62 25293.93 29909.76 38843.58 35850.7 29846.46 34737.64 LysoPE(18:0) 50230.05 43251.58 42859.86 57043.06 43892.61 50967.82 36476.32 38447.84 32160.97 36092.64 36416.89 28374.54 95595.84 129957.56 105182.77 182629.05 193682.95 150368.38 177476.3 138377.78 242055.52 266180.66 350209.84 107864.27 22453.21 26416.13 26193.69 27500.36 25407.18 31516.61 20103.99 26694.21 29533.45 30689.3 24623.48 25179.38 LysoPE(18:1) 53565.34 53884.48 47861.95 55966.4 60211.79 65566.4 29161.97 42858.03 49638.61 45888.51 34119.18 35242.18 88791.04 88388.48 108185.55 144576.86 182997.39 98239.69 129307.62 135949.7 218203.83 231436.98 220765.62 103106.23 7931.57 13077.04 13579.67 9483.08 11271.87 11101.01 14589.89 9140.43 16100.01 11435.38 11243.61 7906.79 LysoPE(18:2) 172190.23 124957.95 93974.22 132265 131857.95 141349.95 79324.7 86717.9 105704.27 118706.63 73423.52 84890.04 174060.2 145613.17 108360.21 205294.83 145116.56 158679.3 230924.42 177869.12 332048.47 344674.53 334593.06 183069.88 14188.19 22028.3 16026 16139.16 18575.19 24127.4 15949.31 21706.04 17451.63 15957.09 25518.52 19868.21 lysoPE(20:4) 99421.06 73604.43 53367.43 73656.6 75404.42 74748.43 39126.8 54493.95 46116.41 59613.76 44892.06 48391.93 196594.31 146503.89 126014.03 171913.86 135744.06 158022.23 195629.33 148270.33 260971.52 228258.17 244828.12 161418.64 9127.05 15789.48 10120.38 9407.21 11096.89 15990.55 11061.85 15984.12 12576.91 9245.23 12455.97 17138.86 LysoPE(22:6) 116515.94 81923.23 63367 79709.88 80398.59 95507.06 49284.5 63648.79 50467.36 56057.86 52424.33 40645.59 176008.81 130083.59 116572.12 177498.02 182647.92 138312.92 157287.14 155792.08 281026.22 239617.58 269536.41 114684.62 52155.03 62257.2 64965.57 56843.93 65065.25 82607.71 81005.85 105941.41 103767.5 100970.47 97291.55 137794.39 LysoPE(P-16:0) 284360.88 303178.66 200098.89 239627.12 230083.23 209728.14 334472.16 289465.25 216942.48 357598.12 383153.91 247573.55 26444.4 21402.99 14665.48 31709.55 15349.37 25686.51 22703.6 24245.23 50977.65 29478.43 23766.99 24907.41 46350.14 63023.18 55124.14 55594.09 49793.91 75498.41 111555.81 135464.19 104864.4 100665.88 150881.86 120902.13 LysoPI(16:0) 10634.74 16286.82 11896.05 15894.87 21245.29 26225.99 8161.98 14876.96 13756.09 18736.63 7060.31 17402.7 26069.8 25878.01 20951.87 49923.39 31545.45 35760.89 58534.08 36579.02 94350.04 72236.53 87505.52 45924.74 2203.48 3064.31 2846.93 2415.74 1840.44 2757.01 3495.71 6776.34 8309.28 5879.52 4507.1 5469.61 LysoPI(18:0) 180541.5 192009.52 150398.3 253517.83 197066.25 208450.95 99430.68 180187.38 101322.06 165414.17 67309.45 126604.29 251013.48 254370.3 159934.17 370970.12 228663.5 305771.53 597082.19 390702.84 674624.31 541291.19 887958.44 431737.16 13899.56 16193.32 11626.14 13062.47 11105.45 17353.67 20489.62 27718.89 22495.9 11289.01 28946.48 22943.81 LysoPI(18:1) 18386.62 34607.89 21308.86 33009.46 31686.69 48553.18 40994.58 63447.17 50927 72680.41 18293.63 89998.12 15733.71 13635.2 11849.91 20704.5 18482.3 14677.57 35659.96 16435.72 53693.12 42420.46 60106.25 23236.98 2246.29 3166.04 1137.29 2125.32 1662.06 2035.62 2953.15 4796.25 4172.35 2396.51 3101.98 4571.47 LysoPI(20:4) 72284.45 60421.86 49316.12 66978.54 59947.26 74097.62 36642.71 45194.54 43746.66 68761.75 24719.74 41318.2 71466.52 108458.98 84256.46 169214.06 98647.66 120016.34 260690.45 132499.55 487235.25 468563.34 403812.91 141946.27 4799.86 7488.81 4271.31 5045.6 3553.67 5299.84 10520.46 18204.04 19062.38 8929.45 14195.44 15846.84 m-Hydroxyhippuric Acid 2816.732 1505.385 2067.318 1833.599 2632.26 1650.91 603.2023 1620.932 1281.125 2483.651 651.8834 811.7077 2171.701 1861.386 1427.473 1393.446 1545.852 933.7722 793.8436 1284.613 2499.21 2001.093 1264.49 1438.255 2358.803 1207.419 1785.68 2576.377 2209.587 732.2111 587.6446 1363.748 1507.06 1281.013 875.9255 2530.562 464.7147 752.6902 911.4185 899.9849 748.3152 malate 62377.27 42163.88 74707.62 53694.53 54528.06 53506.82 96183.8 37933.18 36875.75 73450.93 66273.39 109595.3 65954.13 75533.88 41845.32 62626.06 48084.24 108133.9 198724.5 71647.41 90847.48 71295.69 82147.01 125961.4 122832.7 30894.45 130007.6 66875.45 79085.8 95261.38 149930.5 71970.6 68659.55 56607.55 71974.96 91495.21 86708.7 95158.91 121176.4 89494.01 114539.7 3984756 1888215.38 3649252 3547634.75 2603723 2596323 2268803.25 3551293.25 3225740.25 4076205.25 2779211.25 2092584.62 5425263.5 4415172.5 3227889 6412689.5 5694092 3113412 2312209.5 2756776.75 5953512 4136397.25 2230953.75 2631457 1755699.62 2735350 1728948.12 1854517.62 1986754.12 1902863.88 2601112.25 2287701.75 2155331.75 2651751 2312349.25 2567905 8178592 10679230 8794635 11116800 7866300 10339860 8220474 12049600 9553005 9825135 8067906 10718980 86869860 88755450 77211490 104763700 88648660 100085200 108332500 78489650 83984480 68449290 69913440 65777650 125067.5 124200.7 353289.2 170474 108699.2 105734.1 125857.9 112922.9 101356.1 254115.9 83884.68 147020 Malonic acid 25893.83 12982.05 21582.69 24179.13 20129.7 17981.64 19325.68 17385.77 14936.68 8943.032 14028.13 17537.78 16174.14 14431.74 9290.128 8212.784 14372.53 16480.07 23090.99 15595.01 18399.04 17971.21 22310.6 22152.82 19954.04 20160.35 20750.85 12722.72 11382.29 16678.29 18922.67 16563.6 11908.5 7528.784 9137.646 17105.32 17856.07 18271.05 13851.03 16589.68 16309.08 Mannose 76423.57 66723.13 65219.27 54058.14 52210.83 49057.58 45667.93 44912.12 58293.92 52284.93 42446.98 37968.24 33508.05 38844.31 44097.96 49196.67 72536.87 45525.32 40646.56 39537.86 51661.07 57692.77 44713.05 40748.14 36060.69 41767.06 42807.55 42632.14 41196.1 28925.24 33583.77 35098 35535.18 37477.06 44584.81 45260.19 40044.4 2621.3 49077.37 49382.73 39919.67 Mannose 6-phosphate 1467.338 1425.95 3412.459 2431.184 2258.884 2425.067 2667.38 2844.268 1437.277 826.41 1731.492 2527.668 2168.922 2069.606 911.7112 1283.187 1422.691 2699.822 2271.567 2924.075 1403.209 1304.708 3167.536 4153.116 2838.193 1772.595 4257.829 954.889 1223.712 2318.618 2642.352 2758.125 1401.61 1435.017 1431.492 4414.21 2801.827 2555.169 2766.2 2485.683 2633.228 Melibiouronic acid 55205.25 65027.12 40447.32 58202.13 67264.07 60631.89 52704.89 54994.36 95010.12 66643.15 32508.51 55868.46 methionine 25002.9 34807.87 35412.87 31710.48 23830.17 24578.24 23598.94 23532.16 27796.31 27262.39 18552.58 15466.5 25920 27881.66 37235.36 26704.35 33512.82 20193.02 13631.78 12695.33 17483.77 16637.33 13763.61 13928.2 13443.79 10094.84 18226.84 13964.54 20213.87 9161.352 14822.19 15058.97 14921.4 15435.24 15341.17 15138.67 11724.77 26947.83 38466.64 14033.34 14908.34 16552.59 17899.87 13067.89 16741.63 15628.74 15783.92 7955.35 12752.15 11665.2 11384.64 11859.07 10276.79 22145.43 22566.55 15600.36 28364.99 32375.81 29009 61573.42 45509.4 49196.33 39321.7 92793.29 31753.53 42924.71 33445.95 42867.11 48086.61 47034.3 44543.02 30422.67 33292.22 44457.11 42063.85 36400.85 34367.02 112369 65314.84 105912.1 81614.74 125311.8 74062.68 112199.4 67253.87 130124.5 60146.67 110180.9 107185.8 475607.8 311446.7 479034.8 376952.5 524917.2 327178 588674.8 339777.5 519594.8 280576.2 438907.7 317014.4 4772.334 2878.989 3288.076 4955.654 7038.059 4806.41 9332.379 5535.921 7009.807 6861.25 5252.719 6539.064 Methyl 2-acetyl-3-oxodecanoate isomer 511522.9 495296 536068.6 533126 560248.2 526570.1 586498.2 548239.2 534455.1 485875.6 497547.9 510070.6 Methyl equol sulfate 3522.54 3567.01 1210.85 2967.16 3997.92 2829.04 11507.28 7651.19 6276.49 6583.28 8107.1 4896.6 21800.76 32902.88 10223.61 18564.15 44518.14 25728.34 54717.38 34104.53 52489.36 35502.07 43582.16 40914.47 2357.61 12407.17 5822.532 4558.008 968.5428 6346.555 3837.182 7283.588 5065.187 7617.932 5910.098 8547.321 3674.186 14514.21 5326.458 1446.782 896.8434 775.6782 3865.77 12679.99 19015.18 6502.863 15974.04 3911.728 Methyl farnesoate isomer 220427.9 905665.4 272821.9 551166.6 227101.5 665388.4 226179.5 623828 234157.1 857495.8 297376.2 894618.4 Methyl geranate 92883.32 110550.2 83924.95 89712.19 112177.5 123151.3 112101.8 104594.7 111087.6 94926.23 102545 116240 Methyl-Histidine 1702.88 1652.19 1806.46 1439.55 1751.73 802.75 2546.38 2027.6 1703.11 2098.64 3869.98 3476.29 344822.22 338555.91 340704.91 361895.5 378442.91 368577.09 333311.72 325813.38 346725.84 348645.59 315757.12 341488.22 39769.9 28600.52 57732.18 29160.62 59991.79 33352.73 53076.94 21456.13 38004.73 27403.72 37830.08 29300.27 methyladenosine monophosphate 11678.12 6840.944 7859.38 10149.73 12012.96 7691.44 21628.08 12175.7 15590.04 18025.47 13180.38 9945.67 Methylglucoside 65495.23 60288.32 61821.61 73648.18 55770.36 75947.44 72698.56 70498.55 65890.73 76335.62 99224.49 54629.77 104336.38 114675.37 70315.93 119972.62 106520.98 120093.1 79057.74 83677.07 131286.19 100971.74 104187.88 89766.94 89564.68 103528.97 89855.35 108037.72 94518.34 134034.52 94875.59 84125.18 98041.8 98875.62 110545.07 90267.26 31491.12 47577.69 22318.97 42666.53 40439.07 44554.78 76135.28 63488.26 41108.06 114555.8 43497.23 66931.1 Methyloxovaleric acid (Ketoleucine) 2312889 3656436 2336110 2027918 1674078 872673 1897845 1410170 1666651 1872842 3070378 1417831 1267700 1923444 1655054 1383591 1614356 1958606 3104289 3033889 2922337 2824288 3223592 3527967 2575695 1998306 1842073 3162775 2134610 2985526 3326452 2760700 2664484 1876343 1961933 1968474 2331726 1886570 2422280 4112909 3153512 Methylsuccinic acid 424942.3 258812.3 310620.1 346120.9 321043.1 309588.7 335589.6 275606.3 315162.5 277678.2 215848.2 228631.2 212203.4 277018 251997.1 244836.9 254986.7 341908.2 298649.3 292975.8 263311.5 257314.6 353448 283790.5 280354.8 183106.8 618948.3 223919.2 240914.8 204008.9 243079.4 267108.5 231052.2 205822 255451.5 329139.6 243923.2 278656.4 246688.3 322793 378239.5 MG(22:4) 5000.58 27263.4 8625.916 14084.78 20509.57 27500.15 22148.37 12488.43 6848.075 26426.35 19356.06 35503.18 119868.9 91079.97 128876.8 166747 89490.77 170576.1 184567.2 223641.2 167571.3 156544.1 172036.9 215469.3 42517.51 33660.26 36098.42 34490.23 28010.27 37795.46 28033.91 35163.02 43275.08 29556.07 45433.78 45192.6 Mucic acid 50514.84 63818.5 65914.07 65980.44 75039.24 58517.22 63556.95 62373.2 69705.59 84286.35 65709.49 69396.01 11232.72 14498.32 17713.87 18664.99 24532.23 16609.84 25540.29 21688.04 22189.6 13350.96 15522.32 8461.942 myo-inositol 155479.7 150215.8 170631.4 194479.6 190470.8 209737.7 152138.5 157996.3 140056.9 133099.8 118916 141658.6 249932 172220.5 145206.5 133930 137358.6 159959.3 207991.6 175488.4 158507.4 154566.7 241877.4 249517.2 187280.3 220741.4 266238 114563.3 142929.2 170172.4 223021.7 204666.8 156425.5 152959.3 153147.7 175566.7 224737.9 186833.4 221104.9 199547.5 203994.1 Myristic acid 23363720 9646031 6486894 26338350 25703680 25062130 26883080 22028270 20219520 11333100 20325510 37121020 13318820 28034160 14563220 18951070 20114650 28019150 48160910 29200210 31215910 35185430 36160780 39629660 53464820 22701990 35686800 24706140 19568780 27259230 34550920 44588990 29172590 28033000 37742360 33516250 40170080 22327950 16750260 42174220 40683710 Myristoleic acid C14:1 6797599.5 5405328 5824366.5 6927146 8505889 10079968 7823310.5 7372854.5 10503474 10518638 11895780 7504853.5 879340.75 694022.81 345097.81 540228.69 541001.88 435066.84 2359463.75 842476.94 1418007.62 1567232.5 7739312.5 1315517.12 77953.1 160308.22 174707.8 177446.14 305994.38 317751.41 1051948.88 921006.94 607186 494245.75 1401798 447614.09 486998.5 2984973 511052.4 1022195 450403.2 1404961 424779.4 1802374 659704.9 3579833 1521180 2541588 1917116 2678242 1378883 2088913 2142512 1926206 2329639 2628395 1383580 4167031 1964437 3115261 Myristoylcarnitine C14:0 isomer 2 80324.05 201317.3 72088.96 201464.1 45947.62 149251.7 37636.21 199850.8 52979.14 248580.1 49936 214145.3 N-acetyl-aspartate 5254326 6010626 4654816 5814910 4132052 7568164 7765298 5503506 5704294 4093347 5500694 5230216 N-Acetyl-cysteine 2061.5 3176.443 1159.912 2929.578 2860.687 4384.659 3413.447 2684.527 2738.923 1982.479 1909.977 1981.421 3442.514 4587.928 1369.994 4224.36 2613.845 3813.049 3127.092 5611.345 5255.502 4707.414 3639.717 3864.225 5505.798 2585.427 6531.619 3319.237 5993.307 2409.985 4413.529 5006.099 6036.313 3450.658 5448.402 8041.575 3167.046 4054.147 3718.416 5617.419 5792.57 N-Acetyl-D-glucosaminate isomer 1308.336 1086.718 1425.152 1547.228 1589.561 973.0363 2921.444 1740.334 1436.487 2823.24 1423.944 1689.9 N-acetyl-glucosamine-6-Phosphate 1220.401 1105.619 1009.916 1191.114 1542.922 1055.947 3016.454 1285.751 1895.243 3363.711 1694.917 1576.065 N-acetyl-glutamine 11134.17 9288.69 10109.75 11444.98 7561.06 16229.44 20193.02 28510.62 24629.81 31357.57 40364.83 22788.88 529738.69 420285.53 357059.78 507572.03 476841.75 514138.25 235654.33 373827.47 796029.56 550487.69 185864.67 264099.94 1620.21 3259.48 1910.84 5521.81 3034.1 3243.09 2322.87 3042.91 2317.49 2345.23 2719.7 2262.74 421455.8 209004.1 393003 75970.22 414086 75707.46 591006.9 677816.8 625975.8 134694 324954.4 94129 N-acetyl-histidine 1519.33 1099.25 1700.4 2159.18 1620.62 1851.61 1972.74 2883.32 2217.18 3233.96 2589.97 2502.66 101831 96491.16 90175.54 122145.48 108453 99644.43 90976.77 121295.3 254768.39 135564.31 67689.31 123849.46 N-Acetyl-L-alanine 7551.182 13975.29 10646.33 6486.229 9533.864 6337.497 6139.363 5329.104 6856.377 6473.725 7082.51 5182.679 7238.173 4561.566 5199.092 5456.774 10079.95 6151.32 13844.48 13379.39 21483.64 20653.37 18226.25 15132.19 13302.76 11597.23 17140.17 9578.429 13068.12 10434.13 16366.74 16050.76 11806.58 12962.54 12993.7 16997.74 16220.54 7316.617 8601.673 15659.99 16940.1 N-Acetyl-L-citrulline 26625.87 11832.9 11547.88 16470.77 20418.24 16764.61 118428.13 89327.49 96339.44 47017.07 119196.95 149321.89 N-Acetyl-L-lysine 4292.112 5433.583 4137.658 4359.014 3813.836 4027.96 3524.047 3840.474 4609.017 3975.522 3721.745 3411.444 4729.281 4352.387 3772.687 4047.895 4098.391 2863.224 1766.155 4585.411 6735.778 4044.241 4801.019 5870.69 4043.327 4674.245 4937.298 3621.672 4811.578 5012.579 5139.402 5252.061 4235.327 3778.045 4825.146 4716.31 6001.508 3122.851 4722.528 4636.688 4189.559 N-acetyl-L-ornithine 23079.33 30780.59 26644.94 25943.61 20987.18 22912.53 28516.59 26188.82 38328.52 21093.88 25015.51 16139.92 18222.39 21325.09 24702.92 25189.85 22811.22 18617.41 32645.96 29223.73 21602.02 26588.52 22008.57 20602.27 24059.46 24067.37 28034.58 19939.7 24071.48 14382.07 13470.84 21491.91 24289.98 26497.89 25808.24 23112.28 16436.01 23246.1 35509.26 31864.12 26033.16 N-Acetyl-L-phenylalanine 26849.83 78314.37 83627.29 64026.73 51202.5 39293.7 49728.42 40232.01 49144.41 34658.06 67667.65 67907.35 87751.19 47875.24 47683.74 34206.13 46194.93 30223.42 114680.1 27154.27 77179.8 167976.7 110179.7 63745.78 103646.9 75619.7 322244.2 41170.45 82735.44 103011.8 176202.6 90927.16 66300.57 51822.88 117158.1 65600.7 75288.22 14489.41 32938.43 39276.53 37385.45 N-acetyl-leucine 4571.189 3207.542 3259.071 3503.677 4441.144 4213.6 5374.493 3755.038 4139.571 5108.758 3369.787 4137.779 N-acetyl-ornithine 9761.72 10463.45 9038.9 11432.41 8761.45 12615.42 7653.18 11936.21 12863.78 11520.91 12007.76 9960.22 10845.08 10641.15 6241.93 11213.92 8255.39 10059.06 22765.21 17531.21 22934.77 23335.59 37463.14 24661.14 30880.53 30781.86 27730.1 42584.63 26361.74 42799.14 23217.14 28377.42 29866.78 29158.12 29987.82 26811.42 1435.15 2157.608 947.1487 2112.481 1617.192 1846.953 2529.788 2252.052 1427.504 4462.057 1385.005 2812.099 N-acetyl-phe 10416.94 14645.44 16741.31 27923.23 11685.3 35102.51 24661.02 35461.19 16011.88 22947.5 19249.01 22436.54 55115.27 84842.34 87164.24 60117.68 69064.44 67155.96 116246.9 247340.7 152466.7 86835.52 102984.6 97373.5 N-acetyl-tyr 31682.9 36349.75 35633.36 24099.83 44456.03 23924.84 42814.48 56383.31 54442.3 42725.55 53117.4 31166.62 N-Acetylasparagine 4312.78 4881.96 4606.69 4321.17 4543.77 5319.71 3961.18 4773.68 6339.36 7931.25 7564.82 4821.07 60079.12 56984.48 52486.61 65277.14 66806.63 69399.55 71662.28 94929.24 124703.82 94831.72 69205.66 81812.05 6556.9 6514.81 5433.15 7640.89 6420.05 8754.09 5458.2 5609.9 5151.5 6226.85 4952.86 5443.7 N-Acetylglycine 308876.1 194386.8 89886.23 140639.9 208457.4 113223.6 141185 215887.4 238243.4 206527.9 254328.8 182414.1 104932.3 143413.9 141374 206538.4 183740.3 116299.6 166221.8 180280 166134.2 166120.6 175972.4 124841.6 197541.5 99605.12 256926.4 227788.3 158702.8 124499 187434.7 279488.7 129361.7 203257.2 145260.3 189923.1 196255.8 176509.8 194656.7 237973.9 254621.8 N-Acetylserine 410.786 91.54539 280.3915 342.4749 236.127 0 608.6131 261.0227 75.73315 167.3018 254.8344 342.6822 N-Acetylthreonine 8016.53 9750.16 8102.28 9140.7 7749.12 10903.08 17870.44 16402.22 20745.81 20334.91 24324.26 21796.27 58247.02 63423.58 36818.67 42251.26 37843.98 77231.04 138370.08 155096.7 257557.92 227901.12 105836.75 131587.06 48832.73 47462.07 48215.11 71142.41 57670.06 61190.85 54920.16 48787.3 62394.78 56068.32 68080.16 61124.23 N-Alpha-acetyllysine 1465.74 591.46 1015.88 1573.37 1395.91 1801.92 1487.55 1965.92 1767.66 1876.61 1675.43 1585.43 36342.38 27583.81 22934.22 32437.49 27550.77 23044.53 47032.34 57016 63772.97 50544.69 42604.3 54795.79 2345.14 1336.92 1796.82 2527.3 2269.02 2510.78 2054.71 1049.33 1939.73 1898.25 2625.08 2549.39 1721.561 2086.757 1752.446 2273.921 1465.269 2186.28 1951.052 2088.466 1783.988 3026.952 1781.045 2258.125 N-butyrylglycine 11003.29 57522.5 17843.92 37202.05 13330.21 42229.59 11814.07 43193.48 14870.02 49842.34 15268.82 36029 N-Butyrylglycine 66431.77 36926.71 30236.17 31123.69 71844.12 57421.09 61825.07 76812.71 55618.91 33746.1 86014.48 57362.97 59834.5 64787.62 28377.15 59626.36 63069.07 49443.41 129356.4 1339.385 86423.12 91808.93 112975.3 118272.2 193765.1 53044.77 213313.4 82533.06 129964.1 75379.88 141505.8 152878 71383.7 59340.62 133011.9 225239.9 144843 129844.3 109361.5 231631.8 1402.721 N-carbamoylsarcosine 1399.15 845.97 1065.36 1346.79 1157.46 1608.15 5170.07 2158.89 2053.9 3277.82 8671.45 3654.44 10262.59 13809.91 5325.46 14255.72 15908 18393.86 46328.03 56157.89 37602.55 35345.29 62126.08 45356.86 613.79 1443.63 1169.14 2239.24 841.91 1332.2 2958 2040.78 1004.17 1898.99 4189.15 2141.23 N-Formyl-L-methionine 9294.337 12125.87 10219.5 9823.423 8909.866 9162.974 7120.453 5777.064 6877.257 8506.847 13675.84 5303.159 6272.792 9103.41 7159.541 9440.228 7962.214 7125.768 29875.55 17088.68 24651.34 67061.95 34780.67 21232.95 14553.67 14903.29 51218.86 9626.261 33642.73 18976.52 28970.7 13592.6 10308.67 15603.37 23049.86 34240.36 32941.26 7274.146 8745.771 16185.99 19415.14 N-Glycoloyl-neuraminate 17782.16 14227.62 11730.49 14240.02 15503.18 15469.38 33747.93 27527.83 28288.83 40198.39 29342.51 23479.95 91405.98 69106.6 44692.53 77951.7 73056.83 80284.93 47001.75 78197.45 72107.79 78402.57 55842.18 57219.41 1751.67 1350.42 3991.65 3918.6 3151.7 3933.58 3289.3 1879.26 3480.37 3120.86 1937.25 1368.97 N-Heptanoylglycine 156267.25 131298.95 81580.02 156134.8 86521.25 137256.94 299909.28 250894.25 156445.83 239434.08 348894.34 275650.28 601142.56 431578.78 322998 411019.62 336240.22 530989.69 729489 1262560.5 778214.19 776700.06 764872 918174.19 14459.91 24898.24 7765.41 286251.53 29664.04 36478.48 77543.66 38758.96 35466.48 45033.16 56271.57 41252.01 83206.38 208561.4 75488.59 216486.8 74126.95 146438.7 161599.2 204561.6 99550.56 182021.6 100999.3 220795.6 N-lactoyl ethanolamine phosphate 73513.5 57184.64 52635.54 75459.07 55898.22 54939.81 43966.56 68273.24 81199.52 60132.75 51445.95 79886.66 262118.33 191314.31 277442.12 300264.38 286039.78 253512.38 252536.81 113295.23 217192.56 280637.56 223845.92 227429.25 N-Octanoylglycine 68836.61 66986 94204.34 82881.62 100444.6 83401.84 80201.78 85962.12 76678.56 70291.76 112570.2 115832.4 160863.5 155269 93258.69 150139.5 148878.2 126399.1 253968.6 170651.8 186036.1 184890.5 223790.5 214366.8 138511.8 90548.15 231146.9 116535.2 98657.25 142933.8 334848.5 317150.6 140526.4 222504.5 244821.1 244433.2 261444.4 115069.8 130993.9 322692.1 294883 5585.538 30688.99 11138.28 27363.61 6823.361 21604.6 9109.84 33936.44 10764.43 37800.14 7980.625 24385.11 N-Propionylglycine 32600.9 24320.63 25916.1 21156.27 20082.54 15108.62 28734.86 14423.77 20118.31 18118.1 29034.62 21631.29 413120 398639.6 373517 342947.8 318373.7 237854.9 485551.6 341633.8 388700.4 378993.7 320552.5 269682.5 N1-Methyl-4-pyridone-3-carboxamide 22142.66 20534.87 18669.6 22487.58 19380.73 27162.23 21625.94 18000.2 26553.01 15097.09 29379.94 21175.49 13888.52 16034.12 22243 26971.72 24687.63 22776.24 16059.1 14018.56 18504.02 14684.12 20006.56 20672.45 NAD 587585.62 406932.09 386712.97 444625.78 437865.22 502529.28 474319.75 490297.22 391216.88 656375.75 525645.44 313004.5 627044.81 453269.59 321455.66 504411.5 475118.38 491350.75 409521.75 395891.41 854503.81 500513.09 405407 400833.91 561615.56 600172.94 581651.5 593717.94 594511.19 656289.94 647934.56 589426.62 658756.25 652267.75 521824.5 557701.31 14876.02 9316.94 9055.301 11915.54 15401.83 7788.727 25387.94 15383.41 16763.57 24598.53 12149.32 15082.49 NADH 2584.01 1820.96 952.31 389.7 683.72 1417.98 1644.83 4948.84 3037.62 1498.89 3738.51 1106.58 154847.77 66907.7 56524.61 116101.94 114720.16 124842.91 32141.22 81399.96 291145.22 133730.33 48783.5 63631.8 Neoabietic acid 2853733 7328544 12236200 6455102 2748730 7759406 11013990 8755341 5818472 6702604 8652335 7061892 5992626 13844910 4583636 10207680 9415903 9177160 10157660 15511180 5464354 19186550 7383342 15122460 nicotinamide 1718.872 2036.015 3275.721 3727.738 2618.824 3559.301 3464.879 2369.759 2726.37 2496.627 3262.696 1954.373 1945.738 2134.327 1714.491 1168.595 386.468 2314.892 3864.19 6408.75 3758.409 5507.927 2393.181 2494.947 3453.041 2233.634 6874.846 1974.413 3627.842 1927.392 3383.026 3318.001 939.282 1486.225 2113.015 2293.422 1185.64 2788.129 3843.946 4650.62 3764.339 632899.81 696752.94 373042.75 474397.97 359891.12 313019.28 303203.47 516327.22 543035.19 275553.62 400104.62 391655.34 259184.67 253345.38 194449.52 305853.91 173051.48 153204.05 431369.25 697807.94 161623.27 350125.91 261223.64 349750.03 84549.24 84570.91 71827.84 76850.93 72704.46 68178.89 99432.85 109935.16 113612.41 70363.4 71879.41 53199.12 388420.4 660251.2 532479 568730.9 601724.7 572453.1 454052.4 562909.2 402662.6 568965.6 429180.4 438405.8 1232950 1291250 1117065 871712.6 1325033 689435.1 1332738 1371892 1159293 950758.3 917592.6 578697.9 8493.055 13884.17 7324.102 4876.509 15082.42 7826.886 22354.49 9892.55 7841.25 23438.63 10944.52 10701.97 o-Cresol 6524.034 5420.932 1928.563 3767.603 5263.93 3030.037 13942.34 7133.963 2435.031 4469.498 5751.973 3648.77 O-Phosphorylethanolamine 171452.3 159643.31 172951.42 191450.86 169462.06 198674.88 194118.39 162088.12 157941.67 190062.25 230939.3 141561.92 272549.34 256081.92 192286.38 296273.66 294185.94 360787.84 296625.09 345196.72 393660.59 339059.97 411448.88 317104.78 36069.65 57070.59 53929 48014.86 57352.2 49134.23 93418.34 71459.77 69231.9 55345 103016.59 58124.78 443334.8 582204.2 407449.2 459482.6 435775 524822.3 422000.8 610238.4 430216.3 627356.2 410439.4 496257.4 107905.3 127178.8 82863.55 115891.6 148497 94195.21 209338.8 177927.6 154944 247454.8 112102.4 172154.7 Octadecanedioic acid 661487.8 557514.2 549003.3 639289.2 523110 545061.8 594101.6 607507.2 566892.5 463834.7 494869.5 560657.9 Octanoylcarnitine 11012.67 14361.04 6510.682 10042.4 4580.711 12072.17 8813.947 7671.629 4557.39 14660.84 7895.107 10705.01 23461.96 25049.46 13637.68 37398.61 11240.37 32430.39 3078.604 27264.51 8317.392 41952.5 9528.11 35501.24 Oleoyl Ethanolamide 33156.5 56101.99 39282.94 42636.57 30293.87 18132.94 30651.26 41764.3 48977.81 36302.69 39471.1 34218.4 orotate 26280.72 20778.5 24560.55 23775.9 24662.63 15459.15 16478.18 14615.33 22943.73 21665.47 13279.9 10342.02 24242.96 20950.85 12473.33 16363.38 19943.03 20928.1 11567.62 9085.579 16235.54 14654.36 20853.08 12890.84 18678.21 11761.75 29682.16 7078.812 12691.28 13108.59 15433.31 18429.77 12233.95 9947.165 9894.431 16915.87 16975.46 14339.56 14824.88 10445.59 13620.21 p-Acetaminobenzaldehyde isomer 326620 301982.4 495051.8 290631.6 341542.4 436279.8 504886.8 151449.1 272112.2 212966.1 302516.5 369858.2 p-Cresol 7478.811 19501.66 16796.87 11623.35 19367.25 7182.191 23414.12 4446.81 6817.405 6201.016 12867.4 9337.116 4131.797 5940.042 9995.251 4834.067 9737.961 8281.224 10357.11 12054.39 35852.75 23720.17 36603.98 34750.46 17094.68 15877.33 43916.59 12856.09 30147.06 18534.81 38334.95 14116.43 20478.64 6775.494 27910.93 25090.44 32434.07 6815.982 7604.83 23452.34 23932.35 p-hydroxybenzoate 713125.5 422665.5 432419 380469 330253.7 548046.9 382594.7 266437.8 684458 389140.6 487579.3 356473 PA(18:0/18:2) 12036.02 1844.845 10511.46 8152.392 19804.24 8502.93 7203.568 2467.127 10520.1 7611.674 7317.323 7379.163 PA(18:1/16:0) 4299.519 1295.303 3423.242 2022.019 4937.363 2432.946 4416.508 2902.588 5500.402 1493.028 5817.5 903.1813 PA(18:1/18:1) 8682.983 1516.409 8911.422 3420.064 14795.29 5661.105 9558.665 3032.593 10847.46 2261.151 11519.65 1399.778 PA(18:2/16:0) 3630.696 1214.464 2139.149 1435.044 5535.043 2436.624 3679.723 1076.599 4105.806 733.4792 3806.658 975.8278 PA(18:2/18:2) 7277.879 2163.906 7760.564 3262.871 11154.7 3075.491 7950.219 2124.846 11270.27 1661.265 10434.74 1829.502 palmitoleoylcarnitine C16:1 isomer 3 80759.43 311316 103222.5 282247.3 39008.71 187900.7 46621.04 290386.4 60768.28 351164.8 69454.05 392766.2 Palmitoyl carnitine C16 175522.9 608360 201609 514432.2 86517.37 308203.7 86732.95 478088.5 93171.74 762688.8 113418.6 665128.1 palmitoyl carnitine C16:0 isomer 1 10238.78 46721.04 12908.12 46645.93 10544.55 44986.77 4721.375 53468.14 3023.173 64242.62 9986.554 59217.8 Pantetheine 6787.191 4551.364 4639.301 2707.365 11387.22 6413.75 6439.499 5537.103 7441.759 4033.178 2851.947 1532.499 pantothenate 19699.66 31103.83 36992.02 30642.92 25632.47 24125.17 23650.2 29011.5 35781.55 19852.85 20202.78 14874.89 36408.18 29692.64 29169.26 21005.77 39459.04 32349.67 15121.96 10241.19 10639.85 6243.285 19381.81 9965.543 15480.17 16447.65 21028.59 16919.99 8187.434 8184.949 14894.38 11794.83 21345.04 15852.48 19266.38 30553.15 13730.72 17659.1 26163.76 22034.97 22132 Pantothenic Acid 530996.38 705716.81 1209154.5 2205906.25 1105752.12 1237933.88 107237.91 429135.28 791080.25 434674.38 50346.8 716841.81 170709.78 125115.84 183559.7 202968.98 174626.95 160977.11 91645.98 91169.75 205853.55 120590.47 94672.77 88248.41 289506.66 334703.59 375042.75 391024.34 321604.31 331159.78 218970.52 215017.02 263767.66 200344.69 189200.95 233077.55 1554145 212460.5 1572794 445380 2378819 748320 2360188 430800.7 1352960 176598.7 1572449 502190.8 PC(15:1/22:6) 568503.44 432144.84 433930.53 679432.5 393418.84 722057.69 506515.22 488788.91 566525.56 536957.44 585040.31 451978.5 486190.5 413309.5 455873.72 515162.09 490220.09 486645 314201.47 534688.31 579070.62 387027.75 295331.62 318956.31 158060.75 132366.47 141274.86 122353.88 87721.96 151233.52 79025.02 249192.33 222905.11 107850.28 85927.37 89650.72 PC(18:0/18:1) 55386.75 41998.96 41611.07 58222.44 28327.59 64879.98 49326.39 52606.87 53806.38 45203.28 50014.58 37079.37 40974.88 32795.15 31765.51 42057.27 37072.33 34759.79 34241.61 41542.81 48535.18 36776.03 34083.57 34706.71 104826.2 80612.44 92423.16 81308.25 59806.89 101100.06 47315.76 162360.11 125265.82 65472.82 52394.48 56187.62 PC(18:2/15:0) 458213.03 332580.03 332521.16 482786.75 292074.03 418909.91 410664.25 470532.25 496464.09 464173.5 414824.22 417076.72 446514 396221.09 440336.75 494717.59 389204.5 491847.5 466815.16 532527 476621 448094.03 528079.19 425716.28 54557.17 63988.21 86159.82 72331.62 51789.97 56102.97 57725.28 94013.15 70734.06 57119.47 55021.81 46899.2 PE(16:0/18:2) 400320.66 435752.53 368232.03 500130.97 475500.62 649955.94 421835.28 503328.91 809065.75 556284.94 481633.25 625078.81 770008.69 735915.56 734971 966984.31 841401 967685.25 799455.19 979377.44 957387.75 860480 907328.94 768636 26884.06 36354.22 39603.49 32133.89 36898.26 32832.86 30785.84 48107.62 30234.32 29095.23 35042.8 30910.79 PE(16:0/20:4) 347826.41 361532.75 321875.53 429115 381137.91 533636.56 313084.38 451202.22 669575.19 482955.25 465124.41 513139.28 999687.69 1014380.94 1033263.75 1052029.88 1057475.75 979051.94 960856.5 1091670.5 1312618.12 960664.56 984978.56 961816.69 41816.32 52613.78 47308.76 38799.66 47114.75 42417.99 32084.55 71282.49 45267.78 38491.43 31223.56 43786.4 PE(16:0/20:5) 72430.69 94143.91 88893.4 136306.64 119206.84 195219.88 79623.73 101160.43 180573.33 131149.11 139145.64 137933.55 150829.77 200423.42 189807.33 254081.7 206671.42 209901.38 155201.61 167729.95 276061.78 197035.95 164611.94 163942.45 PE(16:0/22:6) 876544.06 920576.69 731666.94 1112467.88 810049.19 1287492.12 824411.5 1042533.69 1428542.62 1172422.62 1201964.62 1030674 2826600 2578252 2546536.25 3020067.25 2731532 3123923.25 2360311.25 3278712.75 3437683 2508733 1894707 2096331 810016.81 811047.25 694563.44 705401 668372.56 683332.81 460940.91 1068295 970140.06 644423.5 405320.88 680272.94 PE(16:1/22:6) 67739.11 93211.71 86376.45 123197.76 123355.9 206388.7 82291.52 91506.72 146187.88 93551.25 142185.05 116436.23 76532.49 92951.41 77163.3 83477.79 89900.96 87763.56 74512.31 92605.84 139047.7 96619.29 78880.29 79326.72 14276.19 20242.31 9495.49 8906.41 18280.95 18193.55 7786.14 29730.8 18367.08 18182.11 7417.36 21402.74 PE(17:0/18:2) 14609.1 10353.98 11563.14 15316.27 9158.9 15368.96 11672.78 14524.89 14434 14339.49 11523.19 10998.98 16863.45 15055.13 14233.59 18728.84 16007.36 20493.99 18358.89 22249.75 21509.28 15581.05 19135 17257.06 PE(18:0/20:4) 842933.69 593559.69 504992.91 809095 551929.44 774250.06 649364.06 909889.06 934881.25 865722.19 794406.56 706312.75 2020675 1717752.5 1949088.62 1949446.38 1719938.5 2036886.62 1767416.62 1899780.62 1955890 1624006.38 1679590 1587974.62 120051.77 126294.6 148302.05 113913.98 76732.79 103270.01 75641.15 190857.42 135255.5 91018.65 70069.08 81212.98 PE(18:1/16:0) 35368.75 50202.11 46259.64 70036.7 60906.08 83915.68 65259.89 60490.44 123662.04 71378.26 69973.62 87020.7 39935.79 39147.97 49965.62 49886.67 53257.23 46732.12 60729.27 69306.77 73353.43 67537.22 70455.34 53897.27 13910.66 20912.01 19396.87 14848.53 13952.86 15446.56 14316.69 21552.28 18239.46 16000.24 17687.53 15495.19 PE(18:1/20:4) 500505.47 430832.16 436889.34 623342.19 439213.91 611542.19 429788.59 526844.12 622924.56 582076.75 557614.31 473432.16 749723.31 754072.81 812085.69 850592.56 751384.69 700817.69 589422.38 715386.56 961021.19 654677.81 555975 616094 39259.4 37352.19 43220.25 37876.79 33252.77 52185.23 29692.39 60155.95 47885.23 28823.78 25464.39 37334.91 PE(18:2/16:1) 85168.62 133994.83 108937.59 139553.11 197012.89 272567.34 91664.48 116497.51 238460.19 121130.15 152142.77 164245.94 50079.73 56452.52 46107.46 52990.52 60756.95 54344.42 72038.57 81422.82 94790.46 86443.43 96899.38 78412.45 PE(18:2/18:1) 684368.94 576883.25 583712.75 753426.19 601577.44 848597.19 568644.44 656013.19 893814.19 717731.25 637036 668161.44 448562.09 404766.84 470092.03 453674.5 441549.91 355331.12 404434.25 510206.03 557100 468215.75 504002.41 434418.62 13605.12 21713.88 24219.05 19247.1 21510.37 15160.7 16056.68 31832.92 25246.15 14798.71 20437.68 14416.55 PE(20:4/17:0) 16229.06 10953.6 11973.7 16178.61 8997.36 14910.25 11265 15211.35 12033.77 12892.82 15589.7 12845.79 37499.23 31828 30415.94 37629.15 27581.79 33354.89 28875.13 29400.33 30589.85 27259.69 28187.58 27604.07 PE(20:4/19:0) 6748.49 4867.38 4587.1 6063.41 4566.74 5690.1 6446.66 6614.91 7184.43 8186.55 6729.33 5787.26 22340.88 19577.8 19097.86 18069.83 14471.08 18603.1 15979.76 20143.71 18227.55 15097.47 18760.51 15980.91 1958.09 1671.06 1302.82 2331.79 1131.66 1385.13 352.44 4701.93 905.58 1928.57 1005.13 769.75 PE(22:6/17:0) 24795.8 13969.91 15455.97 21124.35 13000.15 22291.76 19188.6 23894.31 18068.63 20565.1 25445.36 13150.18 24626.83 19962.71 21386.05 25807.26 18881.88 24025.2 23574.68 26499.93 26189.57 19410.15 20866.25 17218.85 23929.56 21418.81 20680.09 22534.31 14237.39 23465.05 14186.77 32598.07 26410.46 17173.67 14039.11 14472.03 PE(38:6) 90118.96 107709.7 93212.15 76310.6 80003.5 71596.95 57076.62 108930.73 193917.2 76469.85 98877.78 62168.22 1711604.12 2005485.62 1364329.38 680812.81 3189485.75 1418360.38 962621.19 2188069 1085708.5 639234.31 1591264.62 352774.22 60910.18 119310.57 51648.14 55391.22 138194.61 247787.58 25791.77 116611.77 56357.26 53194.33 29370.22 55513.48 PE(P-20:4/16:0) 438880.91 368641.59 367795.5 521761.91 410425 444540 396394.75 446794.84 439151.09 481450.66 497378.16 426169.66 71516.38 75505.43 76959.22 75098.31 72566.05 64523.07 70358.52 65666.26 99425.35 69050.52 60566.89 69768.12 32917.02 37750.44 39663.31 38164.22 34283.23 33376.04 36284.01 61790.96 38504.63 32432.94 38454.99 32180.96 PE(P-38:6) 855592.81 692160.81 676882.94 1081311.62 650998.81 912319.06 797790.44 769213.5 739666.31 874516.19 944456 665100.5 51376.88 57365.8 45728.57 62902.22 55259.62 56021.79 51055.08 54238.25 74112.68 48558.58 49327.96 47976.77 560747.69 591568.44 582376.19 589754.81 480502.72 540039.5 412020.62 711715.44 676669.69 532155 419910.53 463007.34 Perfluorooctanesulfonic acid 51267.19 45942.46 40910.75 41184.52 31207.69 29898.38 108175.43 89189.34 80031.28 84004.8 116752.03 70474.96 1901877.12 1683514.12 1308326.75 1406858.62 1536467.62 1782835.38 1267168.88 1335647.88 1780646.5 1216645.62 1034496 1388069.88 14722.8 24332.69 15013.25 14021.83 15611.42 13268.27 27577.17 19904.2 21930.42 20574.53 21186.58 21344.88 280569.4 267912.6 258169.5 76493.98 258303.3 73161.95 523162.4 558143.4 450137.1 163828.9 226074.4 114617.4 PG(16:0/18:2) 2761630.75 2326938.25 2137277.25 2170673.75 1930498.38 2128354.5 1802717.38 2024965 1810518.38 1935199.38 1718176.5 1573051.88 859198 798023.25 792448.56 1112595.88 911756.25 1011596.56 1272604.25 980762.06 1364716 1232548.88 1122697.25 1139690.88 723062.31 677313.56 584000.38 497781.03 683719.62 510445.09 615998.5 814162.31 699373.81 501132.72 758875.31 490689.25 PG(16:1/18:2) 109581.19 125115.04 103131.48 103684.31 150700.8 171982.67 79624.51 90690.13 99470.43 74150.12 85945.19 90883.94 34822.5 32416.31 30881.59 46467.64 42942.97 44107.8 54318.78 41526.77 56564.36 52632.38 55172.31 52873.21 61755.46 50328.11 33403.14 33241.63 70955.89 37344.32 36803.67 101887.75 57971.86 40268.04 49909.81 42260.01 PG(18:1/16:0) 2682430 2740658.75 2433250 2336662.75 2208071.75 2409185 2098204 2646384.25 2384982 2286900.75 2201145.75 1870293.88 1961876 1870827.88 2072672 2891766.75 2508942.25 2944811.75 2786228.5 2572409.75 3447176.25 3036889.75 3310449 2753022.25 3362099 2832266 2683832.25 2602058.75 3188874.75 2640959 3046145 4287926 3567437.75 2834891 3866534.25 2561676.75 PG(18:1/18:2) 639304.31 692048.94 695804.31 721673.69 588367.81 808224.25 474910.47 599235 685031.81 697032.5 620645.75 516110 140929.81 112472.16 110274.02 151695.73 114901.16 123654.21 317180 249063.45 379974.5 310112.5 355208.03 349079.28 134559.44 99144.98 94563.07 85122.09 120448.65 92759.71 134084.8 191567.05 141934.05 88778.34 173033.58 88245.59 PG(18:2/18:0) 871526.25 883291.19 955537.69 816015.69 772985.19 920708.44 705421 911117.5 921857.31 901210.56 827208.19 741740.56 420343.34 332491.56 349369.5 570610.25 397377.75 497996.34 1163347.5 910748.31 1038496.81 1066675.12 1222343.38 1108098 330771.25 247229.36 253327.5 237040.05 273824.78 225262.67 315610.41 418775.66 321303.22 266278.16 428099.75 225540.95 2603618 2291674 2782585 2014252 2135304 2367061 2815821 2702369 2773504 1810612 2320191 2309792 PG(18:2/18:2) 214233.5 259540 276911.8 198202.4 217967.3 223478.3 257086 223468.4 214275.1 219551.8 200449.8 254836.3 PG(18:2/22:6) 241647.5 178529.6 248147.1 128415.4 261094.6 225559.9 248720.3 298576.6 216235.7 154685.2 165215.8 249342.8 PG(20:4/16:1) 15718.43 24727.53 26570.72 17325.12 16005.38 20847.5 20991.95 24281.31 18976.13 21240.15 17507.22 23082.45 PG(20:4/18:0) 110535.7 119791.4 128292.4 98955.41 88195.62 112616.5 122131.3 114618.8 111215.9 79594.4 90636.32 114288.1 PG(20:4/18:1) 38207.11 52169.43 63187.23 56668.54 49660.81 54475.36 62543.14 57590.28 57990.6 47945.81 54109.28 67682.93 PG(20:4/18:2) 174047.5 170668.9 191243.8 137711.6 160407.5 176660.4 168979.9 172880.8 162825.5 125631.5 134293.8 166363.8 268910.7 269693.2 188413 239816.3 190681.8 259324.8 154979.6 197154 161409.1 163870.8 155018.1 249822.7 PG(22:2/16:1) 38179.38 50888.31 72701.55 37328.78 41238.45 43179.81 61910.92 57930.2 50380.74 38498.93 49786.47 36743.96 PG(22:6/16:1) 15216.3 17956.77 17727.77 11022.3 20510.53 19418.98 16175.21 24539.2 15653.5 19738.89 12159.75 27204.94 55947.55 56733.45 52127.28 36462.7 57162.96 42364.58 71111.82 95206.84 67210.5 54585.88 43283.76 41494.33 PG(22:6/17:1) 1545.663 1441.478 1292.138 827.2795 1015.64 1308.295 895.0654 2355.668 1380.417 1030.867 701.4788 1922.057 PG(36:2) 106846.3 68013.28 92212.15 78513.1 144150.9 110979.3 124639.7 106717.9 98874.98 91550.73 115246.6 118465.6 520629.6 383833.1 402367.7 582139.7 488693 627421.1 442231.4 422832.5 427534.5 376606 331347.9 439291.6 phenol 97461.96 116022.8 55411.25 127548.1 64912.95 94733.66 120267 113586.1 53853.83 81888.07 83068.14 124386.6 30314.36 32006.64 14385.92 39540.28 20712.12 33443.52 39191 36542.69 19074.71 39366.33 17692.34 63606.32 Phenol sulphate 2553387.25 1236605.88 1644993 1764315 958595.81 1131514.38 2545891.25 4140255.25 2652729.75 2692788.75 2171867.75 2714435 2463433.25 1330670.88 1007865.06 2180389.5 1342321.88 1273894.88 1647758.62 3181404 2451040.25 1823868.12 1108062.25 2234040 678975.94 434653.41 527784.19 1850868.5 407045.72 527086.25 890600 943427.19 691357.31 668108 609745.81 663933.69 1900664 2140845 947062 2432919 1175374 1807491 2334119 2154217 869692.4 1458494 1434374 2178453 3111796 3088767 1657211 3368453 2318936 2201828 2662400 2968801 1586095 1952476 2089467 3792240 416961.6 458899.3 104091.3 610437.1 272927.6 427594.1 601524.7 587694.2 188105.6 557935.8 207121.3 952564.8 Phenylacetic acid 10805690 6617558 8824331 11496150 12298210 14097130 11464710 13190440 11358370 12072620 12665800 13543080 6492850 6235350 6162328 6101646 5893324 5884496 5532746 6108400 5885766 6135668 6108682 6382884 Phenylacetylglycine 54971.69 31605.55 69041.4 46985.14 81581.59 50767 70716.72 33332.43 40792.38 31247.38 36857.65 17577.15 100752.9 35499.71 60146.2 36777.35 23240.17 30795.26 41559.68 8279.528 38616.56 54759.46 43471.07 56705.73 67033.71 34367.36 71741.01 13440.66 23623.13 32749.11 16860.78 68734.44 18070.53 26347.97 33739.73 30420.03 22552.19 15812.72 14331.34 5482.831 4080.586 88818.09 113561 104274.9 99611.04 92404.59 112791 144893.9 111445.6 124018.3 87202.57 99842.07 107412.4 59659.77 22468.14 24667.45 52115.39 27459.05 28520.74 54700.21 47495.61 40504.92 38022.61 25302.6 74831.25 phenylalanine 370063.5 604028.8 637752.7 387684 363261.8 303405.8 354528.8 323649.1 387853.9 342975.7 372175.8 326442.2 314290.8 341773.4 358035.2 291359.6 329513.7 277411.1 488671.4 401261.7 515311.3 581332.9 477278.2 453114.2 462009.1 410753.9 725264.7 413269.1 718551.5 350471.6 495546.1 449256.8 444832 356624.2 499286.4 418792.8 425148.8 335676.8 442766 426334.2 452361.5 112729.72 129959.37 100838.95 104014.98 99044.84 106479.04 128264.99 149953.8 127927.51 170235.36 167887.36 124711.74 225786.3 284316.88 182918.75 258896.61 308494.22 331924.66 431346.78 375851.09 556023.5 441483.38 508028.5 331241.16 208633.42 199496.27 205972.05 215574.02 199357.94 243523.5 262219.75 284430.25 320063.81 324577.25 293803.62 314484.34 328019.1 456861.4 339943.8 418693.3 354365.8 438790.9 338499.5 470166.3 342724.2 476198.6 355558.5 441556.3 2633095 3604363 2887229 3651370 2987910 3372504 3204554 3960753 2923873 3336000 2876978 3461391 17218.4 31642.97 14849.05 33954.91 26129.89 37229.98 38227.47 49590.34 22661.44 73746.02 23195.67 56840.8 Phenylpropionylglycine 18601.31 16798.45 20736.52 18513.22 18677.96 17890.61 29644.57 40283.12 39569.32 35182.38 30128.16 36662.91 239916.83 297274.22 211221.7 315633.47 287529 354153.09 377598.16 545104.69 554093.06 504541.34 345390.56 552082 10917.22 14986.22 12743.17 21806.35 18545.63 13521.59 18402.91 20518.93 22735.93 24188.5 18775.46 22854.17 29166.6 48055.27 39555.46 68152.96 31401.97 100148.1 65131.04 111695.4 39374.19 54193.35 42104.62 58485.17 67749.45 82549.85 81951.97 59991.86 80464.75 75906.75 108254.6 265334.4 138682.8 81816.59 89791.32 96243.07 8804.813 11335.3 4231.366 15288.39 7948.915 18587.14 15630.27 31188.01 8893.536 46070.68 7753.194 36942.46 phenylpyruvate 37386.2 28214.02 41704.29 21445.83 30136.8 28015.58 37270.59 29330.46 31853.04 23495.33 27690.54 24300.7 phosphate 3055117 3059391.75 3090058.75 3170950.75 2817720.25 3027618 2757026.25 2841238.25 2925709 3287614 3318259.75 2772381 2871608 2745226.25 2392911.5 2999960.25 2704562.25 3232528 5495118.5 4655768 4625801 3840237.25 7201706.5 5716114.5 11342561 9340614 13028404 14241395 13185757 12385595 11458357 8435107 10266841 12857885 11175751 10742413 13715150 18775400 13224990 19480460 13749190 14188530 21125510 13246920 14735060 14280750 14410500 11687740 Phosphocreatinine 19849.65 17890.51 22821.63 13181.73 13029.3 11617.98 5599.39 7974.83 6589.24 10844.23 3536.03 3459.75 5201039.5 4248231.5 6017886.5 6487479.5 5909654 5666731.5 5327783.5 2412491 4621217.5 5888510.5 5091624.5 4934226.5 86563.06 86214.09 66742.48 63878.09 74805.3 73573.26 47554.36 47253.83 143476.8 44960.89 100272.9 60006.89 290210.3 98067.02 394776.1 249604.9 396574.1 442966.9 292506.2 123666.8 283015.4 187316.2 124093.2 117377.7 Phosphodimethylethanolamine 72007.72 42980.72 38664.46 53300.06 33682.4 39227.9 214504.42 206157.33 161922.8 192316.75 249426.77 185044.95 219801.12 289439.28 154257.31 155362.52 163563.22 182203.02 271854.28 275479.34 374241.66 246935.5 265250.62 306601.34 15592.53 19282.03 11368.43 14080.88 15250.39 18164.4 18319.25 14769.11 8438.13 8387.05 15676.52 16224.98 170270.1 269740.5 171915.1 204930 132853 172867.2 177028.4 229129.9 154974.5 268614.7 163377.4 199472.3 495139.1 622016.5 452007.6 406726.7 426944.5 287130.2 544048.6 714759.1 522476.2 657103.8 402660.8 422858.8 phosphoenolpyruvate 4419.271 4201.343 4031.836 4729.845 5247.916 4938.717 6041.027 5084.097 4973.822 3704.725 3711.779 2459.24 Phosphoglycolic acid 18581.23 12881.91 18973.5 17103.23 20629.47 15264.26 19609.42 14990.27 16408.6 16397.56 16943.23 8331.509 209711.8 139909.3 179230.9 184044.5 245245 201893.6 188850.6 83732.19 140620.7 106612.4 124544.4 131485.1 Phosphonoacetaldehyde 31254.16 39830.63 29266.64 24940.05 29482.55 15148.13 32822.94 41341.91 30549.79 33280.76 28712.51 21678.44 Phosphoribosylamine 1267.48 2649.17 2717.63 2201.02 2212.48 2009.06 1163.8 1913.61 905.84 1720.26 1956.67 1422.64 7730.45 9656.12 7973.62 13114.2 9645.03 10450.99 8780.09 15461.4 7207.76 9700.51 8284.34 9880.62 46882.52 58637.34 35116.62 35172.77 36974.02 45173.17 44839.92 60379.34 53499.42 50150.41 38330.53 50062.04 Phosphorylcholine 1840.345 3408.979 1855.413 2202.694 1243.345 2237.314 2293.162 2561.544 1655.064 3277.378 2091.784 2360.783 41116.78 61283.96 39870.2 37009.86 32767.76 22246.63 45297.04 62360.88 44354.56 56086.16 40473.75 42736.86 PI(18:1/20:4) 46299.12 24188.99 30299.4 35411.71 85706.84 67736.31 50525.72 62831.36 69145.13 20181.77 50043.07 83022.85 PI(20:4/18:0) 411031 173319.5 238348.1 245830.8 702226.1 588554.8 498293.4 567007.3 703409.2 156066.5 400540.8 563884.6 PI(22:6/18:0) 28413.22 12306.92 18992.8 18827.11 48024.56 40051.42 32277.61 40111.19 40594.11 8762.553 24667.84 45059.82 PI(34:0) 3813.853 3933.276 3069.839 3568.425 1915.597 4634.235 9586.923 5628.957 11693.27 1630.695 5235.93 8615.281 Podecdysone B isomer 21157.66 2979.89 11838.17 2929.987 5413.506 10960.78 5896.732 19788.36 47648.97 9854.782 63670.95 7271.444 proline 94690.77 103703.6 120698.6 100682.7 82080.53 88538.22 75425.51 71929.91 85557.48 88295.71 77039.88 91925.66 108679.2 82764.73 92337.69 70622 99554.81 86335.65 61706.08 41746.73 57892.22 59202.45 56307.15 57303 51213.25 42010.79 64824.75 49556.19 81765.57 47456.64 73139.69 55811.16 42803.07 50699.54 48781.22 60365.47 51087.14 83240.26 105359.7 58892.02 54035.14 70942.72 58654.75 67996.25 66851.95 62268.01 77678.34 43706.88 60377.72 54480.04 62537.66 55256.72 46897.2 101122.1 112147.32 74371.16 115041.27 138548.11 164159.52 284604.19 285989.34 301446.81 270936.66 308429.34 216500.92 215022.62 170388.2 182184.98 292997.97 188125.23 259999.8 313868.34 264840.16 289919.09 313759.09 341339.97 301558.22 153167.8 156196.1 144708.1 156927.9 159175.1 128223.9 132073.6 137639.3 141774.8 131381.6 152205.2 205241.3 13745.73 11674.1 4030.733 11423.31 10217.91 10070.97 16046.83 12920.65 9833.999 28016.34 7571.445 18144.46 Propenoyl carnitine C3:1 4444.14 4717.85 4064.94 4329.15 5259.97 3888.87 5723.86 5249.7 5098.02 5296.82 7590.31 5403.88 21464.13 21067.02 20403.55 19816.02 25493.41 26231.82 8945.6 8041.09 10584.6 9332.02 12523.37 9625.67 1682.01 3298.49 2491.21 3201.63 2888.21 3768.19 3438.99 4125.48 3613.81 3055.91 4383.98 3095.27 prostaglandin E2 360055.4 884818.8 736293.8 640214.7 543043.8 997918.2 534582.1 734640.7 469403.4 983147.7 891705 867352.7 PS(16:0/22:6) 28889.72 24957.57 40842.4 7406.657 27262.75 8778.234 52366.39 50714.89 58782.25 21235.55 42883.81 11895.77 PS(18:0/18:0) 519066.8 630727.8 543892.9 598417.5 574094.4 679847.9 453581 585224.2 625949.4 723970.1 644614.2 783328.2 PS(18:0/22:6) 852597.5 861200.3 1206469 816939.2 810452 1053345 992931 726323.8 985767.9 678058 792134.7 720827.9 PS(20:5/20:0) 282236 541064.8 400799.2 225789.3 939507.9 629386.2 315990.3 348469.6 469612 144950.6 0 337561.8 PS(22:1/20:4) 10110290 8600630 8381536 11248340 9090591 11367430 9489543 9218109 7645010 6214830 7115430 8415647 PS(36:2) 218205.14 201553.38 176871 133098.61 122420.44 89021.4 211764 208052.05 195795.2 170580.75 142535.83 199001.05 122706.19 113917.18 74725.76 35036.31 146220.92 95816.65 50695.4 81771.41 64898.32 34952.98 103467.15 62778.82 12512.03 41565.41 46829.91 36564.7 35750.62 32478.79 38442.86 35195.59 35966.29 32222.18 32370.68 28558.12 PS(40:6) 3797645 2073954 2798251 3920614 3233317 4240312 2907446 2877666 3518304 3000888 3339989 2795029 PS(42:9) 38295.5 44103.69 42419.32 46036.16 22796.71 44578.03 50044.74 20313.41 38918.84 39030.14 25391.35 38829.81 Pseudouridine 118865 164791.7 119626.9 131879.8 136797.9 111504.2 135419.4 148021 133069.9 180640.2 128402.4 135737.6 Pterine 1953.59 1841.51 2223.27 2041.67 2657.49 2016.25 1916.04 2418.48 1717.92 3186.34 2793.91 1754.91 64033.49 52330.89 40196.82 47108.2 52054.45 53446.99 44653.88 46452.94 67417.03 52392.25 54646.63 52226.79 Pyridoxamine-5'-Phosphate 11944.8 12884.27 11237.57 10611.99 15097.77 12978.08 16125.25 12215.37 15489.13 14284.51 11931.19 13604.17 57934.78 64273.89 63588.04 76626.96 70917.08 76426.91 85437.32 60852.18 56748.15 64083.3 47082.62 62735.98 Pyrocatechol sulfate 58739.14 39974.55 31633.68 73156.18 24865.78 40437.93 74635.09 93646.41 113160.71 60029.89 47417.41 27024.9 75350.26 41426.75 24147.47 73032.29 64445.97 32103.75 52028.27 112029.34 151979.72 67227.78 16093.45 39505.39 13751.66 15871.32 7856.48 93665.52 17380.7 18467.22 35872.86 39553.57 29760.51 15684.18 18912.41 9691.42 121839.8 176351.1 270217.7 155235.2 163247.6 198620.5 275498.1 285136.1 247398.8 60098.96 137599.2 112363.1 30467.07 14302.75 5570.201 16005.66 5853.893 20170.8 13566.82 14995.25 6297.539 14694.59 6498.899 24734.35 Pyroglutamic acid 1870054 1164724 1696401 1270069 1601395 1424678 2015565 1661392 1859112 975792.8 1771095 1062757 173194.2 32880.5 33585.35 32310.67 33878.78 28249.44 43111.39 30010.67 34002.33 60933.01 37243.51 67864.55 Pyrrolidonecarboxylic acid 117572.4 133134.5 100607.1 87232.71 119970.7 79897.98 84231.78 75487.29 79351.21 79863.56 91135.38 76354.09 84522.4 82033.87 82251.52 66880.5 125285.5 105278.7 87506.12 96620.6 104103.6 56649.57 79384.74 61219.34 110047.2 101774.8 59758.01 67080.58 67865.8 54722.02 83778.16 119122.5 59438.3 67694.32 76398.19 136531.3 99408.6 123451.4 126995.8 98797.77 110506.3 Pyruvaldehyde 313675.53 248215.42 338903.16 340549.81 275414.72 315969 387673.62 436649.47 246592.45 361845.41 335006.38 286957.34 3957950.75 4145064 2795048.25 3706664.25 3727930 4081712.25 1558413.62 3105370 4629899.5 3708090.25 854198.31 2193406 149073.86 294837.44 131530.62 155453.67 162432.02 171302.17 158109.23 245304.2 184226.38 166906.77 141747.66 151746.08 pyruvate 1115727 1215317 452731.2 348204.3 600041.2 498472.2 1906611 649687.1 974364.8 1396218 391093.8 399539.7 315191.9 1104494 2042697 785878.2 3676839 802202 729534.6 1018974 1160208 1270398 1530544 1486900 1736315 760551.8 1890707 2633294 458164.1 1290530 433866.2 823763.8 1243531 1064280 1985839 1803245 922613.8 1079550 1054119 1315658 1124683 3276317 3153042.75 7330170.5 6062727.5 2830799 6050988 2077695.88 4239194.5 10371523 5024510 3190269 3912329.75 4825235.5 2984020.75 1651074.5 1980362 2263374.5 2157742.75 1193670.25 2419344 2375018.5 2098221 982906.31 1695291 32512458 25382138 19279834 27239166 22645478 27655138 15332128 41653452 35892388 14913905 22515802 20219266 1076117 1470732 1445407 1539813 1243507 1969801 1709666 1709880 1773122 1423697 1343834 1177710 7765122 6892502 10688140 5299584 11351000 7923212 6121672 4043463 5988708 8978103 5999568 6480638 1953728 1787391 1927330 1911519 1981219 1994230 2054606 2309586 1971127 2145159 2110396 2156007 Raffinose 87734.49 87744.31 85131.09 88375.93 106769.4 110314 132694.5 208524.3 568146.9 55878.86 339562.1 75228.39 Retinoic Acid 79959.81 75116.41 76596.75 97334.65 72481.59 89005.91 70922.48 68184.66 44153.09 45713.37 68406.12 71785.09 riboflavin 882.8484 980.133 645.2797 521.4539 622.8485 643.0988 700.326 687.8943 557.8265 676.2289 600.9355 836.8065 723.1902 428.0439 800.0038 995.7241 680.9035 620.1519 876.7722 864.2082 868.7595 592.5764 687.062 1115.3 1032.964 649.1853 987.8552 486.2217 820.7776 611.0222 915.699 1201.419 582.799 782.4295 1258.569 889.1214 581.5533 646.2534 785.5467 1034.954 1716.504 Ribose 10204.62 8168.591 5493.353 7234.685 10606.15 6755.439 4928.682 5145.311 7373.919 5519.942 4494.592 4335.386 6361.029 6991.059 6302.407 5263.928 6121.916 5868.309 5884.691 2473.125 6675.404 6467.596 6349.395 5985.594 5351.191 3551.529 7610.301 4134.408 4564.183 4579.602 4475.129 5179.771 5028.346 4854.431 6035.28 5635.785 5924.746 3473.971 3356.18 3498.318 2818.779 35847.85 22022.83 34802.07 36672.71 30579.78 28685.7 40690.45 53656.57 27538.86 40525.54 37230.02 30173.24 618327.5 646829.44 398224.72 590805.81 595951.56 646566.12 161588.47 437489.38 731908.56 573808.69 82004.63 291585.91 12564.8 20649.53 8973.2 10222.91 11064.88 12224.02 11012.75 16497.84 12280.75 12125.63 9426.2 10651.65 26492.47 30358.95 35068.65 27704.24 33870.85 25775.78 38570.82 36138.45 31832.57 23077.96 26246.92 27256.91 15454.03 15858.47 10737.37 20988.15 16930.22 24596.01 25632.34 28818.73 14123.75 25100.54 14385.47 28383.69 ribose-5-phosphate 22106.1 53087.85 38790.34 29357.13 29912.38 25838.01 14251.97 39031.11 19368.81 22286.52 29304.47 18715.68 451057.34 391630.66 287714.41 446238.78 426312.72 535136.94 412738.25 549895.06 608552.56 563194.06 371324.59 509567.91 325755.84 389632.38 247649.08 258987.45 293945.59 299982.03 323446.03 401608.53 352972.78 333358.34 267687.12 322037.84 83119.95 202075.1 105573.5 120977.8 78810.56 110794.7 132172.1 128250.4 124668.1 180421.5 114060 162601.4 416475.6 330288.9 428643 285437.2 633703.3 418045.2 582876.8 445483.8 489765.1 212631.1 293085 156522.2 ribose-phosphate 745.1259 1393.276 2649.939 680.8162 1031.274 773.6797 1524.928 621.1763 641.1693 1935.822 862.3968 534.2083 623.3959 761.8599 1854.946 1269.077 4580.279 754.4062 592.0352 605.9676 1261.63 821.4349 818.0704 1330.628 2205.935 313.6583 655.8735 443.6466 548.9343 705.767 724.2925 681.3032 941.1808 3341.325 1929.085 1885.14 754.2675 1680.577 1018.875 1975.258 2118.511 Ribothymidine 2521.039 2848.578 2323.56 3279.936 3215.475 4331.891 2453.06 2937.9 2147.282 3839.252 1860.331 3814.969 1712.406 3175.455 2753.044 3254.661 2666.406 4155.032 2781.466 1831.532 2499.656 2940.887 3243.391 3083.403 4213.466 1970.102 2284.26 2470.391 2724.838 2156.682 2391.042 2615.376 3577.176 2893.228 3237.713 3027.637 993.5421 2341.485 1153.293 2169.392 2824.419 S-adenosyl-L-homocysteine 1779.82 2658.68 1792.99 1971.2 1929.02 2005.97 1979.02 2833.57 1681.64 2489.29 2469.74 2166.77 37128.08 44188.09 28189.81 27652.97 36123.44 64207.84 84404.09 99653.9 70984.97 60135.71 98949.23 90461.12 S-Adenosylhomocysteine 27920.1 56472.42 40161 16390.72 41733.32 7541.106 36215.87 82849.48 54199.07 53919 33027.61 7181.262 Saccharopine 93458.19 88331.51 51655.32 49266.25 75969.95 108979 289996 239491.58 294170.09 235373.3 347749.75 299022.47 sarcosine 360990.1 572074.3 493332.2 409018.1 417734 489542.7 361872.5 309067.4 296828.8 316663 398209.5 296329.3 444107.2 453492.3 388789.4 348361.1 487737.4 376937.5 680913.8 461685.7 664715.9 585387.8 542055.6 528046.2 458938.2 447583.6 513459.3 438522.3 635837.5 402919.8 603854.7 452140 505237.3 505465.1 537376 563072.9 543341.5 470622.1 576316.4 543969.2 573642.7 Sebacic acid 17242.26 14011.62 13227.05 11081.81 23109.89 36537.82 14653.55 18407.61 15572.78 11022.06 11946.25 29362.21 9866.247 12612.12 15765.14 23840.81 9374.499 14250.48 28646.21 59766.89 24235.99 14473.44 14992.7 29074.22 15894.6 15820.26 39372.91 12813.84 22893.53 15670.2 21848.23 38387.21 18600.75 18063.97 21617.43 19556.03 24246.78 41839.02 37360.77 65445.39 44670.33 sedoheptoluse-7-phosphate 6790.83 11631.67 7574.31 8081.39 7909.8 8328.85 6297.24 10703.93 6452.4 8977.18 8720.93 5678.09 657010.19 658017.81 495476.75 752765 681937.69 693663.94 187654.25 468374.84 978882.5 765722.69 99058.45 345396.84 757.66 2107.81 2842.55 2094.68 1176.52 1437.25 4351.44 2322.1 4426.33 2149.97 2011.5 1288.04 106194.6 55817.94 109019 33046.27 117371.9 33936.24 191893.6 171065.2 164506 32228.99 81263.48 29127.61 Ser Thr Glu isomer 16853.96 17642.35 15430.71 6302.936 17628.85 7228.98 16328.99 24802.2 13109.17 17477.96 14895.38 12906.14 serine 66662.92 87061.84 112466 95416.1 65151.11 78240.26 69416.81 75475.82 75282.3 85293.28 68309.77 82796.52 87314.62 81844.88 79631.05 79174.21 110318 83849.38 62548.29 48172.11 53205.47 55091.59 56289 54005.55 60222.26 41871.29 46047.85 47764.98 67376.62 40140.08 59632.62 52795.43 48159.89 43485.85 54109.61 62391.91 55954.89 85710.59 121214.6 64952.96 59605.75 95768.4 72841.71 99672.82 82891.09 91602.21 120217.6 48585.55 74890.18 69636.84 77881.23 75780.74 60333.66 136602.33 158778.23 158438.81 148102.75 205584.19 186345.62 195030.17 169396.55 225960.94 213999.12 265088 178232.8 92081.69 81263.32 92808.56 122784.19 117552.41 135812.48 56436.62 55531.65 75843.1 83849.54 73049.87 65740.66 219661.1 126466.5 224003.7 154456.4 236292.4 103523.6 205339.6 154055.6 289010.3 121842.2 292177.7 193787.7 1156100 759332.3 1160122 817540.1 1414404 655684.6 1259871 969229.2 1339730 766096.2 1061752 634419 17592.04 9326.548 5266.812 6959.486 14449.84 8269.78 20075.6 12194.65 13671.71 18272.22 12541.32 11937.82 sn-glycero-3-phospho-1-Inositol 12195.8 13564.13 10291.78 11760.7 12335.98 16431.56 9859.22 9626.6 9871.91 16464.14 11948.98 9927.5 50822.78 59904.39 37211.39 56005.49 53560.22 70095.88 78333.45 61748.65 99630.7 72534.01 99267.32 79079.05 3222.73 5076.47 5189.73 3335.97 4820.1 4864.28 8655.63 8366 8004.82 7271.11 7717.41 8468.49 38202.34 49118.44 38727.5 37119.25 52417.73 41306 43778.31 41476.24 36149.07 42052.57 42220.07 53254.12 77643.5 91229.41 96714.35 73856.65 72227.18 76740.23 112689.3 125368.6 94462.68 92187.96 80134.06 66188.57 sn-glycerol-3-phosphate 15465.89 13499.07 12279.17 12367.65 8514.501 11072.38 11230.33 11108.75 12732.83 17447.33 13271.22 13544.43 7359.822 15029.32 25559.81 18598.33 20161.93 17570.04 22521.81 20628.63 28218.98 22868.69 19737.9 18947.78 14315.59 10633.73 9165.329 21474.6 25277.01 15805.72 19452.67 16459.35 21056.87 26487.51 28248.91 30889.35 24378.23 23053.98 18214.36 22646.27 19780.01 sorbitol 3524.29 3635.14 4393.88 3332.13 3068.52 3529.94 3059.65 5132.64 3292.98 4946.4 3986.72 3871.04 9873.59 9493.37 6398.77 9392.67 13200.96 12878.08 6600.54 14441.25 14506.11 11056.21 8229.62 10090.6 58269.86 61384.82 66719.28 79118.34 64673.25 75502.43 71896.57 69449.53 70519.13 73613.8 68978.3 58040.55 181450.8 187613 145308 169959.4 159424.1 163572.6 143872 176917.4 155305.6 196597.6 152896.9 220791.4 201646.5 743194 213517.8 595504.2 243816.3 406813.7 272716.3 482811.5 237967.1 441656.3 183647.5 637273.4 Sorbitol-6-phosphate 8881.206 31163.85 8637.993 27689.28 6769.288 23192.49 8812.261 24558.95 9414.366 26020.08 8707.567 36245.45 25903.42 49124.45 29134.89 55403.9 22101.51 36739.12 22894.08 38353.75 24205.49 52581.42 15736.74 48651.59 Sphinganine-phosphate 5520.797 8036.402 7528.207 9095.921 5679.119 8806.473 8894.735 9845.332 10423.8 9102.479 8197.774 10868.99 Sphingosine-1-phosphate 9584.29 12752.07 10691.08 9319.16 7356.14 8623.78 7716.36 13923.95 11187.11 13454.41 9158.08 8960.28 23932.33 28293.77 15016.82 24114.43 24397.15 26616.47 38382.6 34035 37053.8 32789.75 32782.87 43442.92 3560.87 4633.4 5128.31 3357.37 3864.62 3432.54 5089.62 3747.76 3625.8 3066.31 3290.76 3885.52 55391.04 51876.17 59912.98 57184.53 67021.27 65516.52 63814.67 55395.6 54836.56 57187.25 47508.74 64413.01 sphingosine(d18:1) 20163.35 31745.2 19836.62 29720.72 17303.46 19100.73 16033.8 22659.08 14686.93 22449.88 15280.51 22301.17 26361.79 25390.52 18023.82 23699.82 21148.44 20835.51 27501.71 23983.07 31259.07 27640.18 20464.33 30413.77 sphingosine(d20:1) 19304 29567.13 21174.04 24228.66 8988.38 15878.48 9733.437 24021.3 23929.33 27061.3 9595.122 28949.29 18867.18 22287.16 16695.34 17138.22 20489.34 10389.69 25987.51 18149.62 24248.11 16594.57 5117.761 16475.74 Stearamide 2453.528 33616.48 45629.44 58675.3 4990.189 40840.67 58181.55 34052.86 39060.98 46074.74 43068.79 57865.44 Stoloniferone C isomer 43360.21 34320.58 32207.83 29943.89 41401.07 21634.8 29260.16 25884.64 27816.96 37016.21 31237.34 31919.43 33020.25 31742.12 44793.21 73986.8 70028.64 44674.99 16378.84 31863.27 42582.36 29967.96 22639.49 15494.96 Suberic acid 198345.2 158462.7 224929.5 189388.9 180874 184957.3 215989.5 175919.2 210930 152896.3 210090.7 186727.8 Suberyl Glycine 1821.331 12048.35 1418.107 7584.195 1415.932 7581.199 1892.018 8737.752 2328.592 9514.895 2125.516 10936.74 succinate 612963.4 404547.9 326478.1 267985.2 303518 203587.5 280327.7 203293.1 431877 760174.8 357584.7 354909.5 200792.5 253069.6 446842.4 551703 314475.6 376724.8 1350754 412006.7 884415.9 581350.1 418506.1 479094.2 553128.7 156768.1 444281.1 947265.3 467191 414550.2 649671.1 291042.5 661348.7 717680.3 803355 565838.2 451250.1 344617.8 381187.5 497201.1 650948.6 22534592 11734008 15540548 17101286 17903974 16515272 17140736 20210518 19622046 24052094 18843594 16369876 15276611 12483943 8141135.5 10731829 11571683 12905015 11295011 14637875 16582664 12657131 11424873 14800669 4609152.5 7013624.5 4401205.5 2873135.25 3682277.25 5179674.5 4954321.5 5570495.5 3601684 3889301.75 4824073.5 6449206.5 870452.2 805887.1 630305.7 393418 359204.2 313458 308852.6 442934.6 279856.8 374518.1 217367.6 381854 153345900 147233000 122374100 205574500 131977700 166321500 162758600 158872700 126344500 119366000 134235700 162791200 sucrose 66082.37 130230 81861.44 121711.8 93094.5 144765.5 97207.59 192853.5 416765.8 110555.8 389031.3 129634.2 Sucrose 7192.805 5853.716 2888.872 1492.327 81663.77 1576.493 1875.5 1488.428 677.3134 1855.881 969.894 14063.29 2077.26 1944.655 1747.235 1200.688 2195.733 1816.964 3696.428 1063.754 2813.723 666.4531 2884.838 3466.211 113327.5 6490.908 1246.009 3854.304 1196.499 747.6357 1427.511 6189.12 2876.252 723.2581 3207.193 2063.209 921.8492 1323.834 1027.12 1339.716 3322.952 sulfate 1655378.38 1243629.88 1284471.62 1607625.62 1162260.88 1020886.94 1900082.38 3117306 2392984 3135279.75 3116760.25 2595985.75 1168487.62 838077.81 919321.19 1011952.69 1110888.5 992484.69 2199282.25 2217227.75 1927581.5 2173119.25 2046528.38 2673657.25 397653.47 405224.22 442063.91 503490.09 432493.03 478296.66 464920.12 410383.84 410123.09 398297.09 490516.62 440017.41 12815720 12170420 11663470 10545500 11514860 12305130 13727960 10125330 12699580 10281040 10436640 8208506 790620.2 785169.2 773001.9 836656.3 936892.2 753056.6 914964.2 850909.5 870624.2 1021916 777746 1145266 taurine 3185874 3831173 2684061 3690771 2621565 2924406 2647531 2701417 2869187 3189716 3218880 2756767 2570534 2349166 2754157 2304151 2504485 2440763 3229519 2987869 5543524 4537172 3328160 3537549 3065902 3724353 5633342 2468455 4604098 2921174 3674840 2545604 2666157 2279428 2753226 3016116 3723899 3279562 3078413 2897779 3566052 53327600 52750596 48450380 47450524 45563412 47270044 43763428 45619232 46208732 53805572 49967348 40924464 34745120 36232536 44018320 27207400 39456108 34933700 58182960 57743792 69838752 56151708 61872060 71945824 111400808 116763800 115476760 115259832 116817912 122306600 113719736 111536256 118270952 121958168 113039752 117431296 157464200 169387100 162790500 154265600 175063000 159151100 151645500 159633100 156772200 163920900 156008100 166204000 1117846000 1085164000 1127236000 1247449000 1198206000 1188244000 1169320000 1057995000 1037736000 1097467000 978807600 1096109000 11111540 13445000 9383597 12405900 12169120 8894021 16448000 13261500 14328250 19956680 10029630 13872730 Taurocholic acid isomer 2097814 1194062 4317114 3739133 889213.8 129892.3 1407894 19851910 92743380 3132981 191285600 4756088 Taurocyamine 58995.05 37665.12 59381.29 45783.84 48364.98 52951.96 35799.13 34491.4 27877.12 28760.98 49868.28 26538.17 219145.62 167615.44 151793.83 199777.67 208027.48 208831.58 192805.64 251150.39 257039.06 187250.42 239900.55 256048.12 140450.28 154655.47 156674.95 144832.95 165459.73 197296.25 141360.92 152985.73 144303.36 138390.67 165773.56 152862.58 270015.4 258041.6 233739.9 256676 288643 202595.5 216100.2 205770.4 262643.1 289519.1 288028.6 238030.6 867045.2 849876.7 807455.7 1053509 939462.4 788560.6 911634.8 769880 921708.2 902142.2 811958.7 787428.4 38421.73 34433.93 31171.37 46736.95 54360.02 31514.42 53369.72 43296.14 53910.44 65594.22 33738.6 60426.11 Taurodeoxycholic acid 57648.22 59439.68 33627.66 49064.7 87686.85 9494.743 61531.07 32836.86 38502.68 22228.21 20734.39 280523 52158.23 21395.7 19129.71 13847.03 23730.41 42290.52 35744.03 31185.58 85698.49 56436.77 95589.65 104156.5 46885.92 61638.62 38516.43 26815.12 18679.46 47947.87 49780.98 50699.08 35738.22 24181.63 52349.69 32173.64 26684.8 13046.29 20100.08 49122.45 108931.2 24282750 15169417 21441506 17119546 32049942 20164896 18113278 26648394 20761634 18404232 27985240 17322170 4414982 2611151 3816185 4192852 2877101 310613.8 4900883 30249820 60385980 4380928 121122000 3386141 Taurolithocholic acid 267570.59 206234.92 100741.68 110924.02 228696.77 126250.41 168526.95 243832.02 162930.3 143546.75 135347.7 170073.69 Telaprevir isomer 19162.91 22408.08 28094.45 22556.13 35569.54 36047.93 18795.31 9720.994 24123.65 18075.95 12450 24231.35 Terbutaline isomer 16246.09 28295.05 4505.346 23230.65 21937.99 10816.27 18059.61 27679.46 31791.39 16694.93 22045.03 16375.34 tetradecadienoylcarnitine isomer 2 31463.72 85569.58 34877.55 97618.79 24297.84 71406 36367.85 62608.49 18306.64 90021.02 29101.93 93334.18 Tetradecanedioic acid 130096.1 397460.6 139228 176448.1 140938.6 181402.9 166663 552062.3 154530.2 514568.6 186638.2 208867.9 tetradecenoylcarnitine isomer 2 93884.15 179624.9 56487.42 182547.4 37405.67 115491.9 40709.01 150171 38064.98 218954.5 38388.91 187311.4 Thiamine monophosphate 22859.12 26809.06 20170.67 15755.67 28776.63 15092.91 23612.95 22218.13 30869.67 23497.06 29170.17 24836.24 Thiamine pyrophosphate 27077.1 23097.18 28117.71 36640.19 29369.03 32930.55 25183.07 26112.44 25506.72 30164.62 34800.47 24781.77 32411.04 25964.96 22606.67 28010.48 28735.94 29580.57 22999.98 25485.08 35342.08 26643.49 22959.12 23311.99 5760.99 4470.42 6361.59 3914.89 5455.44 4630.52 9375.5 5788.92 6711.02 6602.29 2160.83 3848.22 32113.22 29848.8 27462.53 23169.84 39619.94 31235.38 43992.45 39674.77 44114.32 38444.25 30714.28 36605 Thiomorpholine 3-carboxylate 142205.3 213007.2 123105.5 168426.5 142617.4 120774.8 182143 458286.5 339312 175355.9 135074 101852 threonine 53641.61 44678.47 35383.17 40099.29 43364.83 61025.22 38077.31 59647.06 63259.16 71609.45 74354.75 39873.12 53522.64 85993.35 51370.54 78684.06 114669.06 98474.71 162186.98 123967.88 179441.67 172741.44 212000.42 124750.65 62406.54 50654.17 44114.91 86339.52 70735.5 80594.32 44007.92 50113.16 65240.27 73030.16 56771.53 52107.75 240735.2 195697.9 191776.5 233030 252318.8 261180.4 288319.3 249893.9 314880 236243.4 288999.1 186841 1057748 1021790 1087731 1109236 1006277 983022.7 1315279 1239039 1234922 899492.8 1084774 955915.5 4937.795 6091.112 1964.358 5418.77 3393.924 3820.83 5877.904 5537.652 4389.629 12087.4 3145.854 5601.442 thymidine 435736.8 307553.6 255633.9 259995.2 264320.8 355146.8 214532.2 268884.8 234861.7 317230.5 218152.5 238395.6 191240.7 336485.9 380141.8 457026 484917.5 317046 348110.7 411260.8 489121.1 314419 404782.2 394529.1 245397.9 278571.3 209181.9 309991.2 209964.1 253935.6 332949.7 526698.5 300859.8 273826.8 356368.3 516775.5 397780.8 295599.4 297504.8 376916.2 290196.1 113978.24 108456.38 92030.57 103964.59 88847.06 118067.27 124006.12 129044.6 124410.5 115602.59 137116.2 107945.12 117624.12 101618.25 59678.39 97417.3 83149.32 103300.52 53441.39 62753.46 111480.34 75334.59 72710.38 54274.54 147588.39 194663.88 143026.59 170813.33 165004.83 194292.36 179278.31 183358.08 179168.36 167596.78 159274.06 170820.33 433215.5 716975.3 550011.9 509057.2 409449.5 566607.1 459950.1 485553.2 423713.4 547741.9 513100 624618.3 706426.2 931657.2 762418 928635 711288.8 829554.3 826366.6 750451.3 638731.7 735441.4 950810.7 832496.7 39476.89 48497.7 26675.88 50674.92 37000.8 53526.69 62703.19 58329.69 34027.04 93875.59 37795.11 81787.35 Thymidine-5-triphosphate 409.9363 1287.431 1307.767 692.7471 677.8616 642.8863 808.2705 570.6874 552.5835 1079.463 1006.819 926.6582 638.7092 510.5073 1211.203 1410.567 1610.516 674.665 986.2889 550.6577 1586.183 1305.152 770.8344 485.0435 841.2876 801.3357 577.1226 1306.885 1421.705 1081.672 736.5825 486.0182 1056.479 1202.564 1351.32 1234.095 1051.297 733.8896 577.3021 785.4512 731.0783 thymine 77807.34 72252.02 60979.19 68280.45 61177.64 72772.54 81339.01 65774.98 70164.64 66993.97 72873.16 54317.47 72267.25 60445.56 41465.75 57431.46 47555.73 62386.89 34001.53 38684.54 64024.29 43037.32 45428.94 36128.77 123163.81 135537.38 110948.09 138561.45 133201.98 155193.41 143768.05 130853.49 148694.48 136892.81 134038.55 136390.55 108077.4 148908.7 131580 121368.7 106020.1 134736.4 108840.4 111045.5 104318.3 142162.5 119663.3 138522.3 360445.8 477113.2 403735.7 519152.8 386098.5 461069.2 424231.4 388396.7 321039.7 394937.1 421356.8 455891.5 14432.93 17774.49 12471.59 21068.01 16173.33 19126.5 21742.22 23337.46 14792.86 31361.41 16627.47 24986.87 Tiglylglycine 53797.16 84509.02 67369.42 59929.66 48800.42 77762.51 91383.99 126998.2 69353.77 75827.41 74768.13 63806.55 trans-Cinnamate 17324.38 69700.82 16656.78 16247.53 14892.21 17198.11 20456.49 25305.12 21181.02 29193.51 29054.5 20480.14 38894.25 51204.16 32273.09 47113.98 58104.18 62490.38 134733.72 69552.66 103283.59 83289.54 97017.31 64956.64 84014.73 35438.83 38827.38 37439.88 34804.55 45374.54 49223.48 49902.36 55441.2 60495.61 52492.09 56902.85 54156.04 84314.35 59374.72 74141.37 62858.25 79070.51 59753.81 82921.79 61743.97 87124.41 61908.8 88231.29 86907.27 114098.1 90882.57 119540.6 101444.3 104205 94198.41 128453.5 84964.3 109565.4 89625.37 106811.4 2390.403 3417.344 2062.49 4864.732 3124.117 4296.092 4938.887 6547.121 3276.981 10816.79 2672.535 7520.693 trans-Glutaconic acid 238047.8 132674.9 108439.8 97737.3 130670.3 109119.9 99971.19 136971.5 147892.7 120949.5 117199.5 128605.6 125211.5 83025.73 100477.1 140323.8 135530.8 110443.5 48817.02 163351.9 139578.6 137393.3 116150.2 189697.6 112196.6 131942.5 173413 163224.1 92429.31 104176.6 149452 95894.8 124756.5 108189.9 157767.1 171894 200225.3 290391 219468 194563.5 255169.5 trans-Hydroxycinnamic acid 81844.7 95385.38 61735.93 110572 125836.8 128561.2 61732.36 86650.6 83589.81 119202.5 126989.2 98478.99 Traumatic Acid isomer 514713.8 424589.4 459046.4 520953.9 489002.8 728912.2 472519.9 578935.9 449570.3 470106.4 532918.2 605834.7 Tricarballylic acid 3871.409 3651.269 2312.759 4088.586 5884.04 3065.586 3726.16 2427.024 2532.451 9136.747 3220.199 2203.013 9180.465 5427.085 4859.854 9025.576 3130.766 8044.075 11845.78 7734.395 1663.447 2124.437 3467.93 2675.739 3607.393 2059.192 2078.648 1436.363 1575.354 2987.385 2384.321 6014.969 2911.905 3791.259 1270.086 3158.495 5789.895 9763.733 8822.704 5493.861 8098.457 108714.5 187667.9 126259.3 66746.66 103498.7 85631.88 105466.1 113369.9 167031.6 107246 111956.9 86844.1 Tridecanoyl carnitine 10264.04 21502.69 3229.154 27346.86 3028.21 11891.75 2601.699 22643.01 3833.103 31455.76 3813.763 42330.32 Trp Lys isomer 1584.677 1774.59 1094.013 1314.377 2029.896 1035.948 1708.276 1838.391 1288.296 1627.04 1104.125 1216.426 tryptophan 34.15983439 33.84731367 30.57199294 29.60941285 26.60345008 30.83985675 26.62394074 32.11063651 32.57400881 19.53264101 31.97144523 28.64028543 30.09940478 39.29791096 26.33399351 35.83557446 45.13150767 41.84102439 59.81525134 63.37230151 84.15701861 65.67239274 64.07118346 47.14256608 41.19246813 43.12866704 43.04558676 42.9496748 39.72124324 38.05773721 42.40974267 39.4097714 43.06847104 40.97114984 39.08263498 38.80702255 146309.9 299605.1 194588.2 272394.9 142337.2 236028.2 162714.1 230492.1 168718.7 261067.6 167806.4 275892.5 6651.268 10104.69 3263.172 11289.38 3351.903 5869.691 4611.379 8031.526 3177.493 9814.874 3440.87 8571.838 Tuberonic acid isomer 1041057 734018.2 1024536 959904.2 942546.1 1035360 993828.4 1032924 970503.5 790756 1009669 911585.9 tyrosine 174758 76885.51 43601.19 21956.89 17904.93 11040.1 13499.01 9492.32 17429.18 29894.3 15018.2 8712.316 7362.647 14315.46 28153.57 20979.54 20109.73 12596.52 9625.356 3584.607 120805.3 54414.36 28400.65 15867.22 17115.06 8085.999 40097.55 18428.69 45222.67 11862.39 11872.5 8656.68 17508.83 17315.46 24097.13 14219.16 8668.755 7025.738 5450.72 4337.575 4618.647 22.72488885 27.57659492 26.98100963 20.23188414 23.45411922 23.10725986 17.29979372 26.00047224 16.79935656 15.60659807 28.96373208 19.51095715 77.10550679 86.36517338 50.20561385 82.85536321 106.1905963 95.43227443 99.83272266 99.02045854 153.2597054 114.7252709 125.1311324 66.77281082 49.5541338 43.76476417 49.83510316 51.96618348 63.67366549 52.07830792 41.4802504 42.93730799 43.24949296 37.07047676 53.52883483 45.89630643 152795.8 146894.8 184256.2 146443.5 204935.5 134936.2 190318.1 136947.1 203128.9 169809.3 165398 160255.1 14996.56 11551.94 8665.718 8609.444 9801.138 6565.956 10362.95 8752.195 8673.465 12392.68 7814.626 9813.476 Tyrosol 4-sulfate isomer 10830.96 16680.19 10088.03 11053.95 5156.132 11850.88 13022.46 13216.92 13912.73 6566.039 11315.37 12083.77 UDP 21385.62 18905.76 15996.03 10985.75 16007.87 10818.84 8413.8 11487.12 11847.48 14835.8 6360.48 8363.25 310312.41 137788.48 171548.47 194247.69 203883.5 205990.2 76835.34 98798.9 364342.28 266215.91 77348.62 161548.75 31158.73 20400.9 34266.13 34312.42 26337.67 37264.07 46576.25 17513.23 28118.99 24090.74 24314.62 30767.25 74061.41 49051.27 41235.88 37581.82 82070.15 55307.52 69603.04 61278.75 79399.87 21767.94 65789.84 36555.69 86466.51 69490.3 111251.6 52029.2 56685.82 88778.09 106056.4 56955.36 115037.1 41896.25 39130.77 25720.63 2173.796 1380.792 1388.083 1559.246 3165.148 1111.994 3750.25 2714.537 2118.027 2428.368 1860.527 1992.052 UDP-D-glucose 677360.9 508160.8 558635.7 281042.9 493880.5 260404.8 943645.8 567461.7 801453.6 326944.8 499295.7 191451.4 UDP-glucosamine 16319.77 7705.27 12021.85 9327.356 5545.909 10145.54 14564.73 4911.756 8734.449 6882.883 7743.01 3016.224 UDP-glucuronate 10039.72 9080.58 5453.01 3268.17 7807.51 4190.05 8275.76 9266.41 5356.6 8665.41 4506.43 6265.89 656129.56 171343.36 196215.58 133748.02 332443.16 338848.59 166502.98 216098.14 620048.81 304226.91 346736 360285.97 1789.9 1948.66 2207.03 2407.75 1529.04 1875.17 3836.62 1045.14 1435.87 726.97 2210.48 1550.43 178780.6 98608.62 184093.4 28833.41 72028.65 51748.9 181513.4 126040.9 262049.9 29743.06 96477.02 8456.733 UDP-N-acetyl-glucosamine 120749.15 97704.38 85329.04 94669.66 117751.15 99261 48194.73 56329.3 55558.78 66001.88 37968.09 53017.44 607956.62 417903.12 305580.22 573716.06 427021.91 403201.38 431241.34 450206.16 698354.5 606664.69 508894.66 454548.66 17221.95 24542.93 19106.48 21432.64 21147.33 22941.37 23963.42 23305.81 21717.84 20127.87 27484.47 19128.95 829048.9 844487.8 788596.7 457649.3 736761.3 486006.5 1101716 1255986 1101320 533475.4 684169.8 366646.8 37764.18 25897.67 28432.58 36387.61 48233.28 21745.33 73094.34 45933.41 53411.93 66178.03 37910.39 46170.16 UMP 656860.44 567357.38 460092.41 592253.56 539360.94 608233 335162.41 458487.47 541481.44 589193.56 386679.25 398185.03 740421.75 513065.34 549873.69 772180 735713.81 828507.56 1752755.38 1656024.5 1677449 1374315.5 2452298 1632971.38 7869.74 11570.3 7628.95 7934.48 11999.17 8095.29 16651.43 22414.39 11588.86 7305.87 19719.65 5679.15 375390.3 485652 381135.8 414900.5 567897.7 448798.5 444351.8 415511.1 333558.4 379868.6 413538.9 489154.3 765582.4 905220.8 658014 418813 730646.2 341325.4 1220604 1588943 1217313 754903.2 742036.5 385006 11834.42 52992.57 8346.861 8298.265 17177.8 22332 42818.16 22479.04 10892.53 77752.46 15828.2 72772.24 Undecanoic acid 71613.68 98810.66 85057.77 77564.6 116114.3 97867.91 77376.54 75573.2 69777.04 69642.95 85742.88 144287 61458.47 61128.61 52586.16 75304.22 52402.78 51611.17 128359.7 120563.6 143136 96857.66 104400.2 128124.8 105195.9 75940.65 110338.9 77212.01 109036.5 82981.39 108777.5 151881.8 98613 88919.73 96242.68 100915.4 125561 77916.77 62169.55 100188.6 73140.72 Undecylenoyl glycine 35253.66 50194.75 30026.63 39170.86 41872 27382.26 41507.27 64166.29 58507.21 54212.28 14596.57 36821.62 uracil 22623.58 37771.47 21224.9 23322.19 24284.08 24798.54 24782.16 31140.69 24938.32 17142.67 22292.31 32675.37 19444.31 48986.9 57145.84 40269.7 59726.54 28760.44 48864 56955.54 96912.81 40205.58 43488.01 61389.47 36558.02 56262.11 32230.42 49026.39 35436.98 48151.11 62360.12 82064.95 88466.69 47543.19 44013.64 64035.25 63558.53 22827.81 19444.46 54161.57 59159.75 2.097125081 1.683099709 1.626248634 2.159675336 1.930856458 2.631364892 1.960456973 2.206298086 1.462295546 2.118165132 2.265484283 1.757278792 1.624392897 0.951780986 1.517897104 1.161463468 1.05564197 1.155778931 2.367785034 2.278720123 1.427483033 1.522817783 3.280142783 2.239599806 0.595536365 0.833617003 0.814773068 0.963703415 0.901632164 1.173391602 1.18628421 0.883641842 0.850713589 0.955881139 1.515961692 0.876011814 398469.2 591828.3 513387 560660 388651.3 500710.9 553140.8 449367 415544.9 533057.4 430185 643659.6 195337 399516 194334.2 361631.3 216906.8 178700.6 298422.2 453041.3 288077.3 323858.6 332425.9 230503.2 11834.32 28402.28 8918.383 9101.934 13300.42 20491.43 33970.85 30975.02 15646.28 124564.5 18218.83 42567.91 Uric acid 11399.71 845.8146 2427.549 1056.897 791.6972 0 979.7942 75.28629 752.9566 797.3039 317.8946 551.0203 566.7835 592.105 2069.14 494.9945 2784.226 1833.106 1994.049 1926.7 5556.158 313.633 1413.299 873.3787 225.974 83.46226 84.98443 0 430.5505 296.0321 520.997 1167.709 117.9345 1969.028 496.3531 4835.75 641.0664 1560.884 1702.484 1947.056 735.3387 4899.57 6047.84 5220.37 6729.44 6713.21 7477.23 2442.7 7486.14 4714.57 3703.73 4471.27 5774.76 21658.38 22157.37 14278.75 21616.09 22719.85 32089.97 15395.45 23019.83 12266.15 12556.77 9764.09 24476.41 859.03 1728.19 495.83 1104.4 1964.44 845.19 2133.39 1308.29 1185.33 999.9 2426.08 1210.68 uridine 82593.82 112323.2 77818.94 51586.62 79633.93 80924.82 50265.82 81503.53 58778.94 49941.55 66594.83 68961.02 39768.94 79983.32 59142.36 76247.95 55457.14 72804.34 114221.3 145007.7 190738.4 118079.4 142268.6 154401.8 120895.4 78121.5 74764.68 140373.5 101699.5 92636.4 137069.6 161451.4 164806.4 120983.2 143712 142461.4 140624.1 103369.7 78032.15 158803.1 180253.8 631352.44 652526.56 484424.03 620236.06 550201.56 611604.31 358509.84 614813.5 432053.75 535552.12 415720.53 405225.72 805173.69 665893.75 503834.78 939097.5 819887 969687.81 822661.75 1230946.5 1039938.5 972572.94 737041.81 878093.69 66179.48 97296.7 67469.59 83481.6 86317.8 78218.85 133832.44 116328.32 122118.72 118893.99 139287.61 85212.26 1679556 2840845 2425089 2485176 1700094 2480382 2314118 2126444 1873296 2583563 1860248 3105343 1430864 2521026 1411515 2278218 1301150 1266608 2057652 2937407 1880327 2031174 1988002 1564038 28934.65 75917.98 20559.96 26845.92 32844.58 52332.97 93104.55 76772.19 44691.69 336981.2 43976.54 104328.7 Urocanic acid 5286.322 11066.31 4329.09 2375.543 2847.704 2232.004 1510.967 2512.208 2718.331 1756.504 3232.313 3100.752 2054.118 1987.195 2243.669 1385.415 3242.372 3128.443 4325.648 2516.375 9256.716 3166.821 4114.855 3868.764 5890.909 6741.297 3853.3 3689.216 24146.35 3350.255 5067.977 3879.053 4634.253 3135.017 6112.041 13367.42 5969.756 2349.178 3156.468 2793.098 5422.736 UTP 3646.32 2797.51 3335.87 1421.72 1694.72 1682.87 1562.63 1839.37 959.74 1255.61 753.24 680.48 263178.75 53756.72 67474.34 72350.91 83858.03 77211.84 7973.63 11102.41 127474.02 63410.56 9348.72 25714.53 129959.04 82882.34 149451.38 155837.19 111382.65 138448.05 227698.23 60684.96 99064.13 90804.04 106960.12 112386.54 48847.76 21587.4 71262.4 20234.88 32367.8 60044.73 49027.23 6738.583 56956.38 15598.33 13968.04 2329.666 VaL-Gly 9761.72 10463.45 9038.9 11432.41 8761.45 12615.42 7653.18 11936.21 12863.78 11520.91 12007.76 9960.22 10845.08 10641.15 6241.93 11213.92 8255.39 10059.06 22765.21 17531.21 22934.77 23335.59 37463.14 24661.14 30880.53 30781.86 27730.1 42584.63 26361.74 42799.14 23217.14 28377.42 29866.78 29158.12 29987.82 26811.42 54549.2 36994.83 48622.93 41194.25 52682.84 47358.21 63629.38 41664.97 52162.55 41673.69 63557.95 53751.1 198603.1 157638.5 261872.2 248087.2 217393.5 204936.8 269425.6 205597.9 195612.2 176845.8 247181.5 229001.2 valine 351365 915987.2 1014099 420564.2 387069.5 316277.8 347470.3 294407.6 366220.8 322354.8 502543.7 251780.9 344779.7 354602.1 381164.2 294563.8 310628.9 309154.3 844425.1 655446.2 873596.5 1190005 797765.2 698224.4 678399.8 674526 771791.5 556459.1 1620870 512183.8 713445.7 564959.8 659786.7 589251.1 835607.6 692373.1 821971.3 299926.5 438241.8 726257.1 668216.7 85038.77 101214.85 80536.98 92280.56 88789.23 87207.54 126045.95 140261.23 117412.54 149204.77 244837.61 121882.19 233593.98 347657.75 207839.3 323670.72 441894.47 366655 1301935.12 828689.81 1001367.31 941951.44 2342223.25 1037450.69 210012.64 197149.08 181130.92 257706.42 210920.89 213638.64 309951.09 277654.97 321252.03 353718.38 448606.59 293311.78 348302.2 598227.6 352837 415467 355276.2 552354.4 426066.7 580458.7 385689 758975.3 363409.7 496712.6 6373224 11001720 6100130 7831158 6521278 8065134 9082929 12432500 7879316 13857330 6242776 8031844 26580.46 47844 18226.41 56046.31 30277.28 61437.8 53884.55 75013.66 38641.58 168635.2 25071.31 81123.38 Vanillin 4-sulfate 143638.9 132252.7 123047 90255.97 73038.37 85329.44 93336.62 68243.3 187351.4 51553.25 92355.9 48465.89 Vanilloylglycine 23374.74 10650.48 19983.34 17218.79 11739.17 25937.65 15740.58 10264.06 12069.58 11027.26 13736.98 18559.52 xanthine 124293.6 32263.13 101767.1 36034.55 5707.112 889.1833 35969.5 3204.681 21929.97 54573.28 24093.54 7863.014 12081.22 11110.94 69404.8 46197.14 140177.9 51960.41 42756.47 22016.74 39588.93 773.4557 24825.05 18491.21 1373.806 196.4335 331.6805 102.5439 29981.77 10759.95 7089.584 27382.91 3317.937 93055.78 29600.57 114604.1 13140.64 18647.44 19205.58 23904.75 7059.064 68402.22 146035.2 80463.38 107880.81 117899.04 89953.72 41293.93 146779.89 41714.63 51575.71 108526.62 56471.75 201556.2 193202.06 130175.97 326500.91 288643.78 395764.84 316383.25 540447.31 247625.45 263796.53 388624.09 313401.16 3446.46 10344.18 3665.47 3297.91 4921.67 3561.8 8382.57 7861.7 7471.99 4341.38 7566.2 5072.6 321529.3 244940.4 298772.1 284427 280602 210315.4 311132.5 221159.4 280489.2 353127.1 250452.8 378583.1 1168406 1723293 927162.7 1698684 996792.7 791196.2 2194247 1936397 1749281 1112600 1827012 1241746 xanthosine -5-phosphate 14095.35 18288.89 3692.31 17986.33 7795.073 12963.08 24324.46 11834.57 10618.43 9066.63 20958.2 15201.53 xylose 17356.8 19604.99 17615.46 15370.78 19826.79 14457.53 17350.29 14227.1 19369.27 14447.56 15519.03 14347.26 3003.387 2895.992 2424.176 3141.76 2633.117 2721.303 3971.795 2753.51 2918.966 3375.903 2428.86 3503.902 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name (R)-(+)-2-Pyrrolidone-5-carboxylic acid 2-aminobutyrate 2-dehydrogluconate 2-Deoxy-D-ribose 2-hydroxy-b-methylvalerate 2-Hydroxybutyric acid 2-Hydroxycaproic acid 2-Hydroxydecanedioic acid 2-hydroxyglutarate 2-Hydroxyoctanoic acid 2-Hydroxyvaleric acid 2-keto-isocaproate 2-keto-isovalerate 2-Methyl-3-ketovaleric acid 2-Methylbutyrlglycine 2-octenoylglycine 2-Oxoisopentanoic acid 2-Phenylpropionic acid 2'_3'-Anhydroadenosine 3-Aminobutyric acid 3-Dehydrocholate 3-hydroxy-3-methyl-Glutaric acid 3-Hydroxybenzoic acid 3-hydroxybutyrate 3-hydroxycinnamate 3-hydroxyisobutyrate 3-Hydroxyisovaleric acid 3-hydroxylbutyrate 3-hydroxypentadecanoic acid isomer 3-Indolepropionic acid 3-Indoxyl sulfate 3-Methyladipic acid 3-Methylglutaconic Acid 3-Methylindole 3-Phenylpropionate 3-Phenylpropionic acid 3-Ureidopropionic acid 4-Acetamidobutyric acid 4-Cresol 4-formyl Indole 4-hydroxybutyrate 4-Hydroxycinnamyl aldehyde 4-hydroxyphenylpropionate 4-Methylvaleric acid 4-Pyridoxic acid 5_6-Dihydrouridine 5_6-Dihydroxyprostaglandin F1a 5-aminovaleric acid 5-Hydroxyindole-3-acetic acid 6-beta-hydrocortisol a-ketoglutarate acetoacetate acetyl carnitine Acetyl-CoA Acetylglycine acetylphosphate aconitate Aconitic acid adenine adenosine Adonitol ADP ADP-ribose Ala-Ala alanine allantoin Allyl hexenoate isomer alpha-Ketoglutaramate Aminoadipic acid Aminolevulinic acid AMP Anserine anthranilate Anthranilate Arachidic acid arginine Asp Gly asparagine aspartate aspartyltaurine ATP beta-alanine betaine biotin Blumenol C glucoside isomer Butyrate Butyryl-L-carnitine C11:0(Undecanoic acid) C14:0(Myristic acid) C14:2 C15:0 C15:1 C15:2 C16:0 C16:1 C16:2 C17:0 C17:1 C17:2 C18:0 C18:1 C18:2 C18:3 C18:4 C19:0 C19:1 C19:2 C19:3 C19:4 C20:0(Arachidic acid) C20:1 C20:2 C20:3 C20:4 C20:5 C21:0 C21:1 C21:2 C21:3 C21:4 C21:5 C22:1 C22:2 C22:3 C22:4 C22:5 C22:6 C23:0 C23:1 C23:2 C23:3 C23:4 C24:0(Lignoceric acid) C24:1 C24:2 C24:3 C24:4 C24:5 C24:6 C25:0 C25:1 C25:3 C26:0(Cerotic acid) C26:1 C26:2 C26:3 C26:4 C26:5 C26:6 Canrenone Capryloyl glycine Carnosine CDP CDP-choline CDP-ethanolamine Cellobiose Chenodeoxycholic acid Cholesteryl sulfate cholic acid Cholic acid Cinnamoylglycine Citraconic acid citrate/isocitrate Citronellyl propionate isomer citrulline CMP CMP-N-glycoloylneuraminate cortisol creatine Creatine phosphate Creatinine cresol Cresol sulfate Cyclic-ADP-ribose Cystathionine ketimine isomer cysteine Cysteine S-sulfate Cysteine-glutathione disulphide cytidine cytosine D-erythrose-4-phosphate D-Phenyllactic acid DAG(15:1/22:4) DAG(40:6) DAG(44:6) Decanoyl-L-carnitine Dehydroascorbic acid Deoxycytidine deoxyuridine Diaminopimelic acid Dihydronaringenin-O-sulphate Dihydronepetalactone isomer dihydroxycholesterol dimethylglycine Dimethylglycine DL-Indole-3-lactic acid DL-Pipecolic acid Docosyl 4-hydroxybenzoate isomer dodecanoylcarnitine equol sulfate FAD fructose-1-6-bisphosphate Fructoselysine 6-phosphate Fucose 1-phosphate fumarate Galactose Galacturonic acid gamma-Aminobutryic acid gamma-Carboxy-D-glutamic acid gamma-D-Glutamylglycine GDP GDP-glucose glucono-lactone glucosamine glucosamine-1-phosphate glucosamine-6-phosphate Glucose glucose-1-phosphate glucose-6-phosphate Glutaconic acid glutamate glutamine Glutamylaspartic acid isomer Glutaric acid glutathione glutathione disulfide Glutaurine Glyceraldehyde-3-phosphate glycerate Glycerol 3-phosphate Glycerophosphocholine Glycerophosphoglycerol Glycerylphosphorylethanolamine glycine glycocholic acid glycolithocholic acid Glycyl-glycine Glycylproline GMP GTP Guaiacol sulfate Guanidoacetic acid Guanosine Hecogenin acetate isomer 2 Heptadecanoyl carnitine hexadecanedioic acid Hexanoyl Glycine hexose-phosphate Histamine histidine Homocarnosine Homocitrulline Hydroxycitric acid lactone Hydroxyindoleacetic acid hydroxyisocaproic acid Hydroxymethylphosphonate hydroxyproline hydroxypyruvate Hydroxytyrosol 4'-sulfate Hypotaurine hypoxanthine Imidazole propionate IMP Indole-3-acetaldehyde Indole-3-acetylaldehyde Indole-3-carboxylic acid Indole-3-propionic acid Indole-3-pyruvic acid Indole-5_6-quinone Indolelactic acid Indoxyl sulfate inosine inositol isoleucine Isovalerylglycine Ketoprofen L-(?)-3-Phenyllactic acid L-arginino-succinate L-Fucose L-Rhamnose L-Threonic acid lactate Lactose Laurate leucine leucine/isoleucine Linoleic acid Lipoic acid LPE(22:6) isomer lysine LysoPC(14:0) lysoPE(16:0) LysoPE(16:0) LysoPE(18:0) LysoPE(18:1) LysoPE(18:2) lysoPE(20:4) LysoPE(22:6) LysoPE(P-16:0) LysoPI(16:0) LysoPI(18:0) LysoPI(18:1) LysoPI(20:4) m-Hydroxyhippuric Acid malate Malonic acid Mannose Mannose 6-phosphate Melibiouronic acid methionine Methyl 2-acetyl-3-oxodecanoate isomer Methyl equol sulfate Methyl farnesoate isomer Methyl geranate Methyl-Histidine methyladenosine monophosphate Methylglucoside Methyloxovaleric acid (Ketoleucine) Methylsuccinic acid MG(22:4) Mucic acid myo-inositol Myristic acid Myristoleic acid C14:1 Myristoylcarnitine C14:0 isomer 2 N-acetyl-aspartate N-Acetyl-cysteine N-Acetyl-D-glucosaminate isomer N-acetyl-glucosamine-6-Phosphate N-acetyl-glutamine N-acetyl-histidine N-Acetyl-L-alanine N-Acetyl-L-citrulline N-Acetyl-L-lysine N-acetyl-L-ornithine N-Acetyl-L-phenylalanine N-acetyl-leucine N-acetyl-ornithine N-acetyl-phe N-acetyl-tyr N-Acetylasparagine N-Acetylglycine N-Acetylserine N-Acetylthreonine N-Alpha-acetyllysine N-butyrylglycine N-Butyrylglycine N-carbamoylsarcosine N-Formyl-L-methionine N-Glycoloyl-neuraminate N-Heptanoylglycine N-lactoyl ethanolamine phosphate N-Octanoylglycine N-Propionylglycine N1-Methyl-4-pyridone-3-carboxamide NAD NADH Neoabietic acid nicotinamide o-Cresol O-Phosphorylethanolamine Octadecanedioic acid Octanoylcarnitine Oleoyl Ethanolamide orotate p-Acetaminobenzaldehyde isomer p-Cresol p-hydroxybenzoate PA(18:0/18:2) PA(18:1/16:0) PA(18:1/18:1) PA(18:2/16:0) PA(18:2/18:2) palmitoleoylcarnitine C16:1 isomer 3 Palmitoyl carnitine C16 palmitoyl carnitine C16:0 isomer 1 Pantetheine pantothenate Pantothenic Acid PC(15:1/22:6) PC(18:0/18:1) PC(18:2/15:0) PE(16:0/18:2) PE(16:0/20:4) PE(16:0/20:5) PE(16:0/22:6) PE(16:1/22:6) PE(17:0/18:2) PE(18:0/20:4) PE(18:1/16:0) PE(18:1/20:4) PE(18:2/16:1) PE(18:2/18:1) PE(20:4/17:0) PE(20:4/19:0) PE(22:6/17:0) PE(38:6) PE(P-20:4/16:0) PE(P-38:6) Perfluorooctanesulfonic acid PG(16:0/18:2) PG(16:1/18:2) PG(18:1/16:0) PG(18:1/18:2) PG(18:2/18:0) PG(18:2/18:2) PG(18:2/22:6) PG(20:4/16:1) PG(20:4/18:0) PG(20:4/18:1) PG(20:4/18:2) PG(22:2/16:1) PG(22:6/16:1) PG(22:6/17:1) PG(36:2) phenol Phenol sulphate Phenylacetic acid Phenylacetylglycine phenylalanine Phenylpropionylglycine phenylpyruvate phosphate Phosphocreatinine Phosphodimethylethanolamine phosphoenolpyruvate Phosphoglycolic acid Phosphonoacetaldehyde Phosphoribosylamine Phosphorylcholine PI(18:1/20:4) PI(20:4/18:0) PI(22:6/18:0) PI(34:0) Podecdysone B isomer proline Propenoyl carnitine C3:1 prostaglandin E2 PS(16:0/22:6) PS(18:0/18:0) PS(18:0/22:6) PS(20:5/20:0) PS(22:1/20:4) PS(36:2) PS(40:6) PS(42:9) Pseudouridine Pterine Pyridoxamine-5'-Phosphate Pyrocatechol sulfate Pyroglutamic acid Pyrrolidonecarboxylic acid Pyruvaldehyde pyruvate Raffinose Retinoic Acid riboflavin Ribose ribose-5-phosphate ribose-phosphate Ribothymidine S-adenosyl-L-homocysteine S-Adenosylhomocysteine Saccharopine sarcosine Sebacic acid sedoheptoluse-7-phosphate Ser Thr Glu isomer serine sn-glycero-3-phospho-1-Inositol sn-glycerol-3-phosphate sorbitol Sorbitol-6-phosphate Sphinganine-phosphate Sphingosine-1-phosphate sphingosine(d18:1) sphingosine(d20:1) Stearamide Stoloniferone C isomer Suberic acid Suberyl Glycine succinate sucrose Sucrose sulfate taurine Taurocholic acid isomer Taurocyamine Taurodeoxycholic acid Taurolithocholic acid Telaprevir isomer Terbutaline isomer tetradecadienoylcarnitine isomer 2 Tetradecanedioic acid tetradecenoylcarnitine isomer 2 Thiamine monophosphate Thiamine pyrophosphate Thiomorpholine 3-carboxylate threonine thymidine Thymidine-5-triphosphate thymine Tiglylglycine trans-Cinnamate trans-Glutaconic acid trans-Hydroxycinnamic acid Traumatic Acid isomer Tricarballylic acid Tridecanoyl carnitine Trp Lys isomer tryptophan Tuberonic acid isomer tyrosine Tyrosol 4-sulfate isomer UDP UDP-D-glucose UDP-glucosamine UDP-glucuronate UDP-N-acetyl-glucosamine UMP Undecanoic acid Undecylenoyl glycine uracil Uric acid uridine Urocanic acid UTP VaL-Gly valine Vanillin 4-sulfate Vanilloylglycine xanthine xanthosine -5-phosphate xylose METABOLITES_END #END