#METABOLOMICS WORKBENCH PRCMETABOLOMICS_20251021_113918 DATATRACK_ID:6580 STUDY_ID:ST004303 ANALYSIS_ID:AN007160 PROJECT_ID:PR002719 VERSION 1 CREATED_ON October 21, 2025, 1:04 pm #PROJECT PR:PROJECT_TITLE Exercise intensity modulates the human plasma secretome and interorgan PR:PROJECT_TITLE communication PR:PROJECT_SUMMARY Exercise is recognized as first-line therapy for many cardiometabolic diseases, PR:PROJECT_SUMMARY including obesity, type 2 diabetes, and hypertension. Despite the abundant PR:PROJECT_SUMMARY health-promoting effects of exercise, in-depth characterization of circulatory PR:PROJECT_SUMMARY factors that mediate these benefits in humans remains incomplete. Moreover, how PR:PROJECT_SUMMARY different modes and intensities of exercise uniquely regulate these processes is PR:PROJECT_SUMMARY unclear. Here, we address these questions by conducting a multi-cohort human PR:PROJECT_SUMMARY exercise intervention, incorporating sprint-interval exercise (SIE) and PR:PROJECT_SUMMARY moderate-intensity exercise (MIE) to analyze intensity-dependent regulation of PR:PROJECT_SUMMARY interorgan crosstalk. We find that exercise intensity distinctly influences the PR:PROJECT_SUMMARY plasma proteome and metabolome in both untrained and trained participants. SIE PR:PROJECT_SUMMARY led to immediate and robust changes to the plasma proteome, whereas MIE resulted PR:PROJECT_SUMMARY in delayed secretory kinetics. By leveraging large, multi-organ gene and protein PR:PROJECT_SUMMARY expression datasets, in combination with in vitro and in vivo tissue sampling, PR:PROJECT_SUMMARY we map the differentially regulated proteins to their predicted tissue of origin PR:PROJECT_SUMMARY and destination. We find that adipocytes are particularly sensitive to exercise PR:PROJECT_SUMMARY intensity, undergoing broad transcriptomic remodeling following in vitro PR:PROJECT_SUMMARY incubation with SIE as compared to MIE plasma. These findings underscore the PR:PROJECT_SUMMARY integrated whole-body response following acute exercise and highlight exercise PR:PROJECT_SUMMARY intensity as a key factor influencing interorgan communication. PR:INSTITUTE The Rockefeller University PR:LAST_NAME Kilic PR:FIRST_NAME Ece PR:ADDRESS 1230 York Ave, New York, NY 10065, New York, NY, 10065, USA PR:EMAIL ekilic@rockefeller.edu PR:PHONE 2123278446 #STUDY ST:STUDY_TITLE Exercise intensity modulates the human plasma secretome and interorgan ST:STUDY_TITLE communication ST:STUDY_SUMMARY Exercise is recognized as first-line therapy for many cardiometabolic diseases, ST:STUDY_SUMMARY including obesity, type 2 diabetes, and hypertension. Despite the abundant ST:STUDY_SUMMARY health-promoting effects of exercise, in-depth characterization of circulatory ST:STUDY_SUMMARY factors that mediate these benefits in humans remains incomplete. Moreover, how ST:STUDY_SUMMARY different modes and intensities of exercise uniquely regulate these processes is ST:STUDY_SUMMARY unclear. Here, we address these questions by conducting a multi-cohort human ST:STUDY_SUMMARY exercise intervention, incorporating sprint-interval exercise (SIE) and ST:STUDY_SUMMARY moderate-intensity exercise (MIE) to analyze intensity-dependent regulation of ST:STUDY_SUMMARY interorgan crosstalk. We find that exercise intensity distinctly influences the ST:STUDY_SUMMARY plasma proteome and metabolome in both untrained and trained participants. SIE ST:STUDY_SUMMARY led to immediate and robust changes to the plasma proteome, whereas MIE resulted ST:STUDY_SUMMARY in delayed secretory kinetics. By leveraging large, multi-organ gene and protein ST:STUDY_SUMMARY expression datasets, in combination with in vitro and in vivo tissue sampling, ST:STUDY_SUMMARY we map the differentially regulated proteins to their predicted tissue of origin ST:STUDY_SUMMARY and destination. We find that adipocytes are particularly sensitive to exercise ST:STUDY_SUMMARY intensity, undergoing broad transcriptomic remodeling following in vitro ST:STUDY_SUMMARY incubation with SIE as compared to MIE plasma. These findings underscore the ST:STUDY_SUMMARY integrated whole-body response following acute exercise and highlight exercise ST:STUDY_SUMMARY intensity as a key factor influencing interorgan communication. ST:INSTITUTE The Rockefeller University ST:LAST_NAME Kilic ST:FIRST_NAME Ece ST:ADDRESS 1230 York Ave, New York, NY 10065 ST:EMAIL ekilic@rockefeller.edu ST:PHONE 2123278446 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_01 Sample source:Blood | Treatment:SIE | Time:1P | Subject:1CB RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_01.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_02 Sample source:Blood | Treatment:SIE | Time:2P | Subject:1CB RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_02.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_03 Sample source:Blood | Treatment:SIE | Time:4P | Subject:1CB RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_03.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_04 Sample source:Blood | Treatment:SIE | Time:1P | Subject:4JA RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_04.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_05 Sample source:Blood | Treatment:SIE | Time:2P | Subject:4JA RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_05.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_06 Sample source:Blood | Treatment:SIE | Time:4P | Subject:4JA RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_06.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_07 Sample source:Blood | Treatment:SIE | Time:1P | Subject:8PF RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_07.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_08 Sample source:Blood | Treatment:SIE | Time:2P | Subject:8PF RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_08.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_09 Sample source:Blood | Treatment:SIE | Time:4P | Subject:8PF RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_09.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_10 Sample source:Blood | Treatment:SIE | Time:1P | Subject:9LK RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_10.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_11 Sample source:Blood | Treatment:SIE | Time:2P | Subject:9LK RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_11.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_12 Sample source:Blood | Treatment:SIE | Time:4P | Subject:9LK RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_12.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_13 Sample source:Blood | Treatment:SIE | Time:1P | Subject:10EC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_13.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_14 Sample source:Blood | Treatment:SIE | Time:2P | Subject:10EC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_14.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_15 Sample source:Blood | Treatment:SIE | Time:4P | Subject:10EC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_15.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_16 Sample source:Blood | Treatment:SIE | Time:1P | Subject:11CP RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_16.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_17 Sample source:Blood | Treatment:SIE | Time:2P | Subject:11CP RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_17.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_18 Sample source:Blood | Treatment:SIE | Time:4P | Subject:11CP RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_18.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_19 Sample source:Blood | Treatment:SIE | Time:1P | Subject:15RR RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_19.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_20 Sample source:Blood | Treatment:SIE | Time:2P | Subject:15RR RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_20.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_21 Sample source:Blood | Treatment:SIE | Time:4P | Subject:15RR RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_21.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_22 Sample source:Blood | Treatment:SIE | Time:1P | Subject:17AA RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_22.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_23 Sample source:Blood | Treatment:SIE | Time:2P | Subject:17AA RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_23.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_24 Sample source:Blood | Treatment:SIE | Time:4P | Subject:17AA RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_24.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_25 Sample source:Blood | Treatment:SIE | Time:1P | Subject:20JW RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_25.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_26 Sample source:Blood | Treatment:SIE | Time:2P | Subject:20JW RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_26.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_27 Sample source:Blood | Treatment:SIE | Time:4P | Subject:20JW RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_27.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_28 Sample source:Blood | Treatment:SIE | Time:1P | Subject:24SC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_28.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_29 Sample source:Blood | Treatment:SIE | Time:2P | Subject:24SC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_29.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_30 Sample source:Blood | Treatment:SIE | Time:4P | Subject:24SC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_30.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_31 Sample source:Blood | Treatment:MIE | Time:1P | Subject:2ML RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_31.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_32 Sample source:Blood | Treatment:MIE | Time:2P | Subject:2ML RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_32.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_33 Sample source:Blood | Treatment:MIE | Time:4P | Subject:2ML RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_33.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_34 Sample source:Blood | Treatment:MIE | Time:1P | Subject:3JS RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_34.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_35 Sample source:Blood | Treatment:MIE | Time:2P | Subject:3JS RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_35.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_36 Sample source:Blood | Treatment:MIE | Time:4P | Subject:3JS RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_36.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_37 Sample source:Blood | Treatment:MIE | Time:1P | Subject:5AF RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_37.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_38 Sample source:Blood | Treatment:MIE | Time:2P | Subject:5AF RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_38.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_39 Sample source:Blood | Treatment:MIE | Time:4P | Subject:5AF RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_39.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_40 Sample source:Blood | Treatment:MIE | Time:1P | Subject:7SL RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_40.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_41 Sample source:Blood | Treatment:MIE | Time:2P | Subject:7SL RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_41.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_42 Sample source:Blood | Treatment:MIE | Time:4P | Subject:7SL RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_42.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_43 Sample source:Blood | Treatment:MIE | Time:1P | Subject:12JC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_43.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_44 Sample source:Blood | Treatment:MIE | Time:2P | Subject:12JC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_44.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_45 Sample source:Blood | Treatment:MIE | Time:4P | Subject:12JC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_45.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_46 Sample source:Blood | Treatment:MIE | Time:1P | Subject:13EP RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_46.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_47 Sample source:Blood | Treatment:MIE | Time:2P | Subject:13EP RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_47.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_48 Sample source:Blood | Treatment:MIE | Time:4P | Subject:13EP RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_48.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_49 Sample source:Blood | Treatment:MIE | Time:1P | Subject:16JB RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_49.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_50 Sample source:Blood | Treatment:MIE | Time:2P | Subject:16JB RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_50.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_51 Sample source:Blood | Treatment:MIE | Time:4P | Subject:16JB RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_51.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_52 Sample source:Blood | Treatment:MIE | Time:1P | Subject:21LC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_52.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_53 Sample source:Blood | Treatment:MIE | Time:2P | Subject:21LC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_53.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_54 Sample source:Blood | Treatment:MIE | Time:4P | Subject:21LC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_54.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_55 Sample source:Blood | Treatment:MIE | Time:1P | Subject:22TJ RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_55.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_56 Sample source:Blood | Treatment:MIE | Time:2P | Subject:22TJ RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_56.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_57 Sample source:Blood | Treatment:MIE | Time:4P | Subject:22TJ RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_57.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_Blank Sample source:Blank | Treatment:Blank | Time:Blank | Subject:Blank RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_Blank_01.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_Pool-1x_01 Sample source:Blood | Treatment:QC | Time:QC | Subject:QC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_Pool-1x_01.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_Pool-1x_02 Sample source:Blood | Treatment:QC | Time:QC | Subject:QC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_Pool-1x_02.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_Pool-1x_03 Sample source:Blood | Treatment:QC | Time:QC | Subject:QC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_Pool-1x_03.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_Pool-1x_04 Sample source:Blood | Treatment:QC | Time:QC | Subject:QC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_Pool-1x_04.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_Pool-1x_05 Sample source:Blood | Treatment:QC | Time:QC | Subject:QC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_Pool-1x_05.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_Pool-1x_06 Sample source:Blood | Treatment:QC | Time:QC | Subject:QC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_Pool-1x_06.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_Pool-1x_07 Sample source:Blood | Treatment:QC | Time:QC | Subject:QC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_Pool-1x_07.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_Pool-1x_08 Sample source:Blood | Treatment:QC | Time:QC | Subject:QC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_Pool-1x_08.mzML SUBJECT_SAMPLE_FACTORS - MS269654IQM_luke_cohen_Pool-1x_09 Sample source:Blood | Treatment:QC | Time:QC | Subject:QC RAW_FILE_NAME(Raw file name)=MS269654IQM_luke_cohen_Pool-1x_09.mzML #COLLECTION CO:COLLECTION_SUMMARY Blood samples were collected before, immediately following, and 3 hours CO:COLLECTION_SUMMARY following the single exercise sessions in the untrained and trained state. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY Participants were provided a balanced set of meals 24 hours prior to performing TR:TREATMENT_SUMMARY a single exercise session. The sprint interval exercise session consisted of TR:TREATMENT_SUMMARY six, 30-second all-out cycling bouts against a resistance set at 0.075 kg•kg TR:TREATMENT_SUMMARY BM-1, interspersed by 4-minute recovery periods. Sprint interval training TR:TREATMENT_SUMMARY comprised 3-4 sprint interval exercise sessions per week, with the resistance TR:TREATMENT_SUMMARY gradually increasing from 0.075 kg•kg BM-1 to 0.090 kg•kg BM-1 at week TR:TREATMENT_SUMMARY seven. Exercise sessions increased to eight sprints per session by week seven. TR:TREATMENT_SUMMARY The moderate-intensity exercise session consisted of continuous cycling at a TR:TREATMENT_SUMMARY fixed power equivalent to ~ 90 to 100% of the predetermined lactate threshold 1 TR:TREATMENT_SUMMARY for 90 minutes. Moderate-intensity training consisted of progressively TR:TREATMENT_SUMMARY increasing exercise duration to 120 minutes per session in week seven, with the TR:TREATMENT_SUMMARY intensity adjusted based on submaximal tests performed every two weeks. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples (20µL) were extracted with 80µL of 75:25:0.2 SP:SAMPLEPREP_SUMMARY acetonitrile:methanol:formic acid extraction solution containing 1µM heavy SP:SAMPLEPREP_SUMMARY amino acid mixture (Cambridge Isotope Laboratories MSK-A2-1.2). After vortexing SP:SAMPLEPREP_SUMMARY and centrifuging (at 13,200rpm and 4°C for 15min), 40µL supernatant was SP:SAMPLEPREP_SUMMARY transferred to HPLC vials. The remaining supernatants were combined to prepare a SP:SAMPLEPREP_SUMMARY pooled quality control (QC) sample to monitor for instrument variability such as SP:SAMPLEPREP_SUMMARY mass error, chromatographic shift, and internal standard signal. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY For chromatographic separation, samples were loaded on a SeQuant ZIC-pHILIC CH:CHROMATOGRAPHY_SUMMARY column (150 × 2.1mm, 5μm polymeric) and a SeQuant ZIC-pHILIC Guard Kit CH:CHROMATOGRAPHY_SUMMARY (20 × 2.1mm) at 40°C and eluted with a solvent system composed of mobile CH:CHROMATOGRAPHY_SUMMARY phase A (20 mM ammonium carbonate and 0.1% ammonium hydroxide in water at pH CH:CHROMATOGRAPHY_SUMMARY 9.3) and mobile phase B (100% acetonitrile). The injection volume was set to CH:CHROMATOGRAPHY_SUMMARY 5µLl, and samples were maintained at 4°C. The gradient (vol/vol) used was as CH:CHROMATOGRAPHY_SUMMARY follows: 0–22 min, linear gradient from 90% to 40% B; 22–24 min, held at CH:CHROMATOGRAPHY_SUMMARY 40% B; 24–24.1 min, returned to 90% B; 24.1–30 min, equilibrated at 90% CH:CHROMATOGRAPHY_SUMMARY B at a flow rate of 150µL/min. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Merck SeQuant ZIC-HILIC (150 x 2.1mm,5um) CH:SOLVENT_A 20 mM ammonium carbonate and 0.1% ammonium hydroxide in water at pH 9.3 CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT 0–22 min, linear gradient from 90% to 40% B; 22–24 min, held at 40% B; CH:FLOW_GRADIENT 24–24.1 min, returned to 90% B; 24.1–30 min CH:FLOW_RATE 150µL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap IQ-X Tribrid MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS . Mass spectrometry was operated in polarity-switching mode for MS1 acquisition MS:MS_COMMENTS with the following source conditions: spray voltage, +3 kV and -2.5 kV; sheath MS:MS_COMMENTS gas, 40 AU; auxiliary gas, 15 AU; ion-transfer tube temperature, and probe MS:MS_COMMENTS heater temperature, 300°C. MS1 scans were acquired using the following MS:MS_COMMENTS parameters: resolution, 120,000; AGC target, 1.2 × 105; maximum injection MS:MS_COMMENTS time, 246 ms; m/z ranges, 55-275 Th and 265-1000 Th. Data-dependent MS/MS MS:MS_COMMENTS scans were acquired separately for each polarity (positive and negative) and MS:MS_COMMENTS mass range (55-275 Th and 265-1000 Th) on a pooled QC sample for untargeted MS:MS_COMMENTS metabolomics using the following settings: a resolution of 15,000, 7.5e4 AGC MS:MS_COMMENTS target, auto max injection time mode, 1 Da isolation width, HCD activation, MS:MS_COMMENTS assisted normalized collision energy of 20, 30, 40 units, and a cycle time of 3 MS:MS_COMMENTS seconds. The instrument was externally calibrated weekly using Pierce FlexMix MS:MS_COMMENTS Calibration Solution (Thermo Fisher Scientific) and the internal calibration MS:MS_COMMENTS feature (RunStart EASY-IC) was turned on. The untargeted metabolomics analysis MS:MS_COMMENTS was conducted using Compound Discoverer 3.3.2.31 for identification and MS:MS_COMMENTS quantification. Data were filtered for MS2 library matches, retaining only MS:MS_COMMENTS compounds with a match score of ≥70 from either mzCloud MS:MS_COMMENTS (https://www.mzcloud.org/) or the MassBank of North America MS:MS_COMMENTS (https://mona.fiehnlab.ucdavis.edu/) via mzVault. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AU MS_METABOLITE_DATA_START Samples MS269654IQM_luke_cohen_Blank MS269654IQM_luke_cohen_Pool-1x_01 MS269654IQM_luke_cohen_Pool-1x_02 MS269654IQM_luke_cohen_Pool-1x_03 MS269654IQM_luke_cohen_Pool-1x_04 MS269654IQM_luke_cohen_Pool-1x_05 MS269654IQM_luke_cohen_Pool-1x_06 MS269654IQM_luke_cohen_Pool-1x_07 MS269654IQM_luke_cohen_Pool-1x_08 MS269654IQM_luke_cohen_Pool-1x_09 MS269654IQM_luke_cohen_01 MS269654IQM_luke_cohen_02 MS269654IQM_luke_cohen_03 MS269654IQM_luke_cohen_04 MS269654IQM_luke_cohen_05 MS269654IQM_luke_cohen_06 MS269654IQM_luke_cohen_07 MS269654IQM_luke_cohen_08 MS269654IQM_luke_cohen_09 MS269654IQM_luke_cohen_10 MS269654IQM_luke_cohen_11 MS269654IQM_luke_cohen_12 MS269654IQM_luke_cohen_13 MS269654IQM_luke_cohen_14 MS269654IQM_luke_cohen_15 MS269654IQM_luke_cohen_16 MS269654IQM_luke_cohen_17 MS269654IQM_luke_cohen_18 MS269654IQM_luke_cohen_19 MS269654IQM_luke_cohen_20 MS269654IQM_luke_cohen_21 MS269654IQM_luke_cohen_22 MS269654IQM_luke_cohen_23 MS269654IQM_luke_cohen_24 MS269654IQM_luke_cohen_25 MS269654IQM_luke_cohen_26 MS269654IQM_luke_cohen_27 MS269654IQM_luke_cohen_28 MS269654IQM_luke_cohen_29 MS269654IQM_luke_cohen_30 MS269654IQM_luke_cohen_31 MS269654IQM_luke_cohen_32 MS269654IQM_luke_cohen_33 MS269654IQM_luke_cohen_34 MS269654IQM_luke_cohen_35 MS269654IQM_luke_cohen_36 MS269654IQM_luke_cohen_37 MS269654IQM_luke_cohen_38 MS269654IQM_luke_cohen_39 MS269654IQM_luke_cohen_40 MS269654IQM_luke_cohen_41 MS269654IQM_luke_cohen_42 MS269654IQM_luke_cohen_43 MS269654IQM_luke_cohen_44 MS269654IQM_luke_cohen_45 MS269654IQM_luke_cohen_46 MS269654IQM_luke_cohen_47 MS269654IQM_luke_cohen_48 MS269654IQM_luke_cohen_49 MS269654IQM_luke_cohen_50 MS269654IQM_luke_cohen_51 MS269654IQM_luke_cohen_52 MS269654IQM_luke_cohen_53 MS269654IQM_luke_cohen_54 MS269654IQM_luke_cohen_55 MS269654IQM_luke_cohen_56 MS269654IQM_luke_cohen_57 Factors Sample source:Blank | Treatment:Blank | Time:Blank | Subject:Blank Sample source:Blood | Treatment:QC | Time:QC | Subject:QC Sample source:Blood | Treatment:QC | Time:QC | Subject:QC Sample source:Blood | Treatment:QC | Time:QC | Subject:QC Sample source:Blood | Treatment:QC | Time:QC | Subject:QC Sample source:Blood | Treatment:QC | Time:QC | Subject:QC Sample source:Blood | Treatment:QC | Time:QC | Subject:QC Sample source:Blood | Treatment:QC | Time:QC | Subject:QC Sample source:Blood | Treatment:QC | Time:QC | Subject:QC Sample source:Blood | Treatment:QC | Time:QC | Subject:QC Sample source:Blood | Treatment:SIE | Time:1P | Subject:1CB Sample source:Blood | Treatment:SIE | Time:2P | Subject:1CB Sample source:Blood | Treatment:SIE | Time:4P | Subject:1CB Sample source:Blood | Treatment:SIE | Time:1P | Subject:4JA Sample source:Blood | Treatment:SIE | Time:2P | Subject:4JA Sample source:Blood | Treatment:SIE | Time:4P | Subject:4JA Sample source:Blood | Treatment:SIE | Time:1P | Subject:8PF Sample source:Blood | Treatment:SIE | Time:2P | Subject:8PF Sample source:Blood | Treatment:SIE | Time:4P | Subject:8PF Sample source:Blood | Treatment:SIE | Time:1P | Subject:9LK Sample source:Blood | Treatment:SIE | Time:2P | Subject:9LK Sample source:Blood | Treatment:SIE | Time:4P | Subject:9LK Sample source:Blood | Treatment:SIE | Time:1P | Subject:10EC Sample source:Blood | Treatment:SIE | Time:2P | Subject:10EC Sample source:Blood | Treatment:SIE | Time:4P | Subject:10EC Sample source:Blood | Treatment:SIE | Time:1P | Subject:11CP Sample source:Blood | Treatment:SIE | Time:2P | Subject:11CP Sample source:Blood | Treatment:SIE | Time:4P | Subject:11CP Sample source:Blood | Treatment:SIE | Time:1P | Subject:15RR Sample source:Blood | Treatment:SIE | Time:2P | Subject:15RR Sample source:Blood | Treatment:SIE | Time:4P | Subject:15RR Sample source:Blood | Treatment:SIE | Time:1P | Subject:17AA Sample source:Blood | Treatment:SIE | Time:2P | Subject:17AA Sample source:Blood | Treatment:SIE | Time:4P | Subject:17AA Sample source:Blood | Treatment:SIE | Time:1P | Subject:20JW Sample source:Blood | Treatment:SIE | Time:2P | Subject:20JW Sample source:Blood | Treatment:SIE | Time:4P | Subject:20JW Sample source:Blood | Treatment:SIE | Time:1P | Subject:24SC Sample source:Blood | Treatment:SIE | Time:2P | Subject:24SC Sample source:Blood | Treatment:SIE | Time:4P | Subject:24SC Sample source:Blood | Treatment:MIE | Time:1P | Subject:2ML Sample source:Blood | Treatment:MIE | Time:2P | Subject:2ML Sample source:Blood | Treatment:MIE | Time:4P | Subject:2ML Sample source:Blood | Treatment:MIE | Time:1P | Subject:3JS Sample source:Blood | Treatment:MIE | Time:2P | Subject:3JS Sample source:Blood | Treatment:MIE | Time:4P | Subject:3JS Sample source:Blood | Treatment:MIE | Time:1P | Subject:5AF Sample source:Blood | Treatment:MIE | Time:2P | Subject:5AF Sample source:Blood | Treatment:MIE | Time:4P | Subject:5AF Sample source:Blood | Treatment:MIE | Time:1P | Subject:7SL Sample source:Blood | Treatment:MIE | Time:2P | Subject:7SL Sample source:Blood | Treatment:MIE | Time:4P | Subject:7SL Sample source:Blood | Treatment:MIE | Time:1P | Subject:12JC Sample source:Blood | Treatment:MIE | Time:2P | Subject:12JC Sample source:Blood | Treatment:MIE | Time:4P | Subject:12JC Sample source:Blood | Treatment:MIE | Time:1P | Subject:13EP Sample source:Blood | Treatment:MIE | Time:2P | Subject:13EP Sample source:Blood | Treatment:MIE | Time:4P | Subject:13EP Sample source:Blood | Treatment:MIE | Time:1P | Subject:16JB Sample source:Blood | Treatment:MIE | Time:2P | Subject:16JB Sample source:Blood | Treatment:MIE | Time:4P | Subject:16JB Sample source:Blood | Treatment:MIE | Time:1P | Subject:21LC Sample source:Blood | Treatment:MIE | Time:2P | Subject:21LC Sample source:Blood | Treatment:MIE | Time:4P | Subject:21LC Sample source:Blood | Treatment:MIE | Time:1P | Subject:22TJ Sample source:Blood | Treatment:MIE | Time:2P | Subject:22TJ Sample source:Blood | Treatment:MIE | Time:4P | Subject:22TJ Allopurinol 2.69E+04 2.28E+08 2.22E+08 2.15E+08 2.15E+08 2.08E+08 1.98E+08 1.86E+08 1.85E+08 1.80E+08 1.97E+07 8.87E+08 5.89E+07 2.93E+07 8.52E+08 2.45E+08 1.44E+07 1.12E+09 2.36E+08 1.11E+07 5.46E+08 5.10E+07 2.32E+06 4.12E+08 1.41E+07 2.08E+07 6.44E+08 9.84E+07 6.35E+06 4.89E+08 4.77E+07 1.66E+07 7.05E+08 1.04E+08 2.47E+07 9.19E+08 2.15E+08 2.09E+07 4.19E+08 5.40E+07 7.64E+07 8.67E+07 3.31E+07 2.76E+07 1.83E+07 7.73E+06 1.33E+07 2.99E+07 2.78E+07 2.79E+07 2.28E+07 2.86E+07 6.13E+06 3.08E+07 5.10E+06 1.74E+07 3.59E+07 1.42E+07 7.78E+07 2.92E+07 2.76E+07 1.67E+07 3.19E+07 3.27E+07 1.90E+07 3.58E+07 3.45E+07 Succinic acid 6.97E+05 3.16E+06 3.25E+06 3.10E+06 2.89E+06 2.70E+06 2.56E+06 2.40E+06 2.34E+06 2.31E+06 2.09E+06 3.33E+06 1.74E+06 2.13E+06 5.10E+06 1.52E+06 2.16E+06 7.69E+06 1.40E+06 2.19E+06 5.89E+06 1.86E+06 1.63E+06 4.49E+06 1.64E+06 1.75E+06 7.05E+06 2.08E+06 1.76E+06 5.55E+06 1.75E+06 2.13E+06 5.04E+06 1.73E+06 1.31E+06 6.90E+06 1.45E+06 1.52E+06 6.96E+06 1.62E+06 1.64E+06 5.89E+06 2.70E+06 1.81E+06 4.04E+06 1.56E+06 1.50E+06 3.16E+06 1.72E+06 1.63E+06 2.83E+06 2.04E+06 1.66E+06 3.49E+06 1.62E+06 1.60E+06 3.29E+06 1.80E+06 1.44E+06 3.05E+06 2.16E+06 1.36E+06 2.92E+06 1.31E+06 1.32E+06 2.88E+06 1.31E+06 L-(+)-Lactic acid 3.84E+06 6.64E+08 6.34E+08 6.14E+08 5.73E+08 5.22E+08 4.95E+08 4.90E+08 4.70E+08 4.54E+08 2.28E+08 2.08E+09 2.47E+08 2.67E+08 1.98E+09 1.53E+08 2.85E+08 2.75E+09 2.75E+08 3.13E+08 1.88E+09 2.18E+08 1.52E+08 1.67E+09 1.58E+08 1.91E+08 2.12E+09 2.10E+08 1.80E+08 1.89E+09 2.42E+08 2.23E+08 1.91E+09 2.75E+08 2.99E+08 2.87E+09 2.93E+08 2.01E+08 2.77E+09 3.24E+08 2.51E+08 3.03E+08 1.32E+08 1.83E+08 2.01E+08 1.06E+08 1.41E+08 1.95E+08 1.06E+08 1.59E+08 2.73E+08 1.13E+08 1.77E+08 3.22E+08 1.11E+08 1.74E+08 2.17E+08 1.38E+08 1.49E+08 1.71E+08 1.67E+08 1.28E+08 2.36E+08 1.01E+08 1.95E+08 2.56E+08 1.47E+08 DL-Malic acid 6.66E+05 3.49E+07 2.85E+07 2.80E+07 2.74E+07 2.65E+07 2.53E+07 2.39E+07 2.30E+07 2.14E+07 1.70E+07 4.99E+07 1.44E+07 1.53E+07 5.58E+07 1.17E+07 1.93E+07 8.77E+07 1.75E+07 2.84E+07 6.44E+07 1.41E+07 1.43E+07 4.73E+07 1.14E+07 1.47E+07 7.93E+07 1.81E+07 2.01E+07 6.78E+07 1.45E+07 1.90E+07 7.24E+07 1.22E+07 2.21E+07 7.63E+07 2.01E+07 2.49E+07 7.38E+07 8.83E+06 1.60E+07 1.78E+07 1.21E+07 1.57E+07 1.61E+07 1.06E+07 7.24E+06 1.23E+07 8.67E+06 1.36E+07 1.43E+07 1.29E+07 2.78E+07 2.49E+07 1.10E+07 1.07E+07 1.19E+07 1.03E+07 1.17E+07 1.11E+07 1.18E+07 1.64E+07 2.04E+07 1.43E+07 1.89E+07 2.01E+07 1.36E+07 Pseudouridine 8.80E+03 3.83E+06 4.28E+06 3.97E+06 3.84E+06 3.32E+06 3.13E+06 2.93E+06 2.66E+06 2.56E+06 4.43E+06 1.21E+06 3.36E+06 5.15E+06 1.78E+06 4.72E+06 5.17E+06 1.90E+06 4.05E+06 5.20E+06 2.26E+06 5.53E+06 3.78E+06 1.85E+06 4.45E+06 4.13E+06 1.61E+06 4.99E+06 4.16E+06 2.02E+06 3.98E+06 4.47E+06 1.65E+06 4.69E+06 5.17E+06 1.46E+06 5.64E+06 4.42E+06 1.38E+06 4.81E+06 3.42E+06 4.40E+06 4.71E+06 3.38E+06 3.11E+06 3.29E+06 3.27E+06 3.95E+06 4.53E+06 2.88E+06 2.06E+06 3.41E+06 2.72E+06 2.73E+06 2.56E+06 3.52E+06 3.30E+06 3.60E+06 2.90E+06 2.27E+06 3.58E+06 3.07E+06 3.04E+06 2.71E+06 3.73E+06 3.26E+06 3.58E+06 D-Pantothenic Acid 3.28E+03 6.51E+05 5.55E+05 5.15E+05 5.89E+05 4.67E+05 4.40E+05 3.85E+05 2.50E+05 3.26E+05 7.27E+05 2.68E+06 6.17E+05 3.44E+05 1.54E+06 3.68E+05 2.93E+05 1.99E+06 2.66E+05 2.87E+05 1.13E+06 2.93E+05 2.07E+05 8.91E+05 2.73E+05 2.08E+05 1.69E+06 2.79E+05 1.95E+05 1.49E+06 3.14E+05 2.22E+05 1.28E+06 3.98E+05 3.73E+05 2.48E+06 4.50E+05 5.74E+05 4.67E+06 9.16E+05 1.85E+05 2.24E+05 3.12E+05 2.30E+05 3.33E+05 2.68E+05 2.16E+05 3.19E+05 3.86E+05 1.48E+05 1.22E+05 2.44E+05 2.15E+05 3.32E+05 2.02E+05 1.16E+05 1.21E+05 1.11E+05 2.21E+05 2.38E+05 4.48E+05 1.91E+05 3.14E+05 1.94E+05 3.52E+05 4.16E+05 3.70E+05 Leucine 1.50E+06 2.29E+07 2.20E+07 2.08E+07 2.01E+07 1.93E+07 1.84E+07 1.80E+07 1.75E+07 1.68E+07 2.20E+06 1.01E+07 3.15E+07 2.13E+06 8.40E+06 2.91E+07 2.44E+06 1.73E+07 3.72E+07 1.97E+06 1.23E+07 2.56E+07 2.41E+06 1.37E+07 4.84E+07 2.44E+06 1.31E+07 2.94E+07 1.58E+06 1.29E+07 5.52E+07 2.80E+06 2.26E+07 6.59E+07 1.10E+06 2.33E+07 3.98E+07 2.53E+06 2.60E+07 5.36E+07 2.15E+06 4.11E+07 6.40E+07 2.16E+06 1.70E+07 2.88E+07 1.76E+06 3.04E+07 5.34E+07 1.91E+06 6.22E+06 2.80E+07 2.22E+06 8.15E+06 2.28E+07 2.70E+06 2.22E+07 5.68E+07 2.37E+06 1.37E+07 2.11E+06 1.99E+06 1.53E+07 4.83E+07 1.86E+06 1.45E+07 5.13E+07 Pyruvic acid 7.48E+05 3.09E+07 3.07E+07 3.00E+07 2.96E+07 2.64E+07 2.53E+07 2.50E+07 2.42E+07 2.44E+07 2.33E+07 8.64E+07 2.37E+07 1.63E+07 3.93E+07 9.78E+06 3.35E+07 6.89E+07 2.53E+07 2.64E+07 5.75E+07 1.85E+07 2.16E+07 7.94E+07 1.78E+07 2.53E+07 9.37E+07 2.37E+07 1.96E+07 5.49E+07 2.24E+07 2.28E+07 7.87E+07 2.44E+07 3.08E+07 5.88E+07 2.86E+07 2.28E+07 4.66E+07 2.31E+07 1.71E+07 1.56E+07 1.15E+07 1.30E+07 1.55E+07 9.27E+06 1.35E+07 1.23E+07 9.58E+06 2.13E+07 2.58E+07 1.30E+07 2.32E+07 2.87E+07 1.19E+07 2.18E+07 2.17E+07 1.81E+07 1.31E+07 1.11E+07 1.59E+07 1.14E+07 1.76E+07 9.59E+06 2.45E+07 2.59E+07 1.85E+07 Methylmalonic acid; LC-tDDA; CE20 1.92E+05 4.79E+05 4.25E+05 3.95E+05 3.98E+05 3.65E+05 3.31E+05 3.11E+05 3.32E+05 3.08E+05 2.86E+05 5.87E+05 2.79E+05 2.28E+05 1.12E+06 4.01E+05 2.91E+05 1.50E+06 4.96E+05 2.91E+05 8.19E+05 2.96E+05 2.75E+05 4.78E+05 3.00E+05 2.94E+05 8.21E+05 4.72E+05 6.21E+05 4.95E+05 3.29E+05 3.12E+05 7.44E+05 3.53E+05 2.20E+05 1.33E+06 5.33E+05 1.92E+05 9.57E+05 4.58E+05 1.81E+05 2.77E+05 2.51E+05 1.78E+05 1.91E+05 1.57E+05 1.65E+05 2.04E+05 1.96E+05 3.43E+05 3.10E+05 3.39E+05 2.72E+05 2.85E+05 2.42E+05 3.43E+05 4.26E+05 4.40E+05 2.51E+05 2.82E+05 2.64E+05 2.00E+05 2.30E+05 1.76E+05 2.12E+05 2.06E+05 2.07E+05 Norlidocaine 2.96E+04 1.05E+06 1.13E+06 1.04E+06 9.18E+05 9.34E+05 1.02E+06 8.61E+05 7.38E+05 9.19E+05 1.31E+04 1.25E+06 1.04E+06 1.33E+04 7.90E+05 1.35E+06 1.27E+04 2.23E+06 4.32E+06 1.32E+04 5.65E+05 6.93E+05 1.38E+04 1.07E+06 1.98E+06 9.89E+04 8.04E+05 1.01E+06 1.39E+04 1.56E+06 3.53E+06 2.81E+04 1.06E+06 2.05E+06 3.08E+05 9.44E+05 1.17E+06 1.53E+04 1.59E+06 1.80E+06 8.26E+05 9.36E+05 8.64E+05 1.29E+04 5.74E+05 6.57E+05 1.73E+04 1.68E+06 1.64E+06 1.22E+04 9.83E+05 1.12E+06 1.89E+04 3.83E+05 4.92E+05 3.39E+05 1.29E+06 1.88E+06 1.25E+04 5.43E+05 1.32E+04 1.20E+04 6.85E+05 1.68E+06 4.94E+05 1.04E+06 1.33E+06 HYDROXYPHENYLLACTIC ACID 4.66E+03 4.27E+06 4.17E+06 4.12E+06 3.66E+06 3.41E+06 3.23E+06 2.94E+06 2.90E+06 2.63E+06 4.37E+06 1.84E+06 6.07E+06 4.23E+06 2.27E+06 8.65E+06 3.07E+06 1.24E+06 4.97E+06 6.50E+06 2.62E+06 8.75E+06 3.58E+06 1.37E+06 5.37E+06 4.63E+06 9.40E+05 6.79E+06 4.34E+06 1.16E+06 5.49E+06 6.00E+06 2.60E+06 9.75E+06 4.55E+06 2.98E+06 8.38E+06 3.70E+06 2.15E+06 7.92E+06 4.01E+06 4.55E+06 5.47E+06 3.00E+06 2.66E+06 2.86E+06 1.60E+06 2.21E+06 2.38E+06 2.78E+06 2.18E+06 4.70E+06 3.42E+06 2.69E+06 3.11E+06 3.60E+06 3.43E+06 3.76E+06 2.32E+06 2.22E+06 3.34E+06 3.79E+06 4.41E+06 3.77E+06 3.98E+06 3.12E+06 3.06E+06 3-Hydroxylidocaine 2.94E+04 9.38E+05 8.15E+05 8.69E+05 7.91E+05 7.17E+05 6.89E+05 7.19E+05 6.81E+05 5.68E+05 6.71E+03 5.13E+05 9.33E+05 6.90E+03 5.61E+05 1.52E+06 6.81E+03 1.03E+06 2.11E+06 2.64E+04 4.81E+05 7.42E+05 7.37E+03 8.37E+05 1.36E+06 1.86E+05 2.05E+06 1.27E+06 8.04E+03 8.65E+05 3.25E+06 1.90E+04 1.07E+06 1.77E+06 4.10E+05 1.17E+06 1.69E+06 5.33E+04 7.64E+05 2.49E+06 3.33E+05 1.21E+06 1.41E+06 6.64E+03 8.04E+05 8.77E+05 5.57E+04 1.49E+06 2.08E+06 6.78E+03 8.39E+05 2.09E+06 4.87E+04 4.23E+05 5.31E+05 4.21E+05 1.64E+06 1.73E+06 6.03E+03 7.88E+05 7.04E+03 5.44E+03 8.39E+05 1.00E+06 4.73E+05 1.10E+06 1.93E+06 Acetyl-L-carnitine 2.32E+06 8.68E+08 8.50E+08 7.86E+08 7.88E+08 7.49E+08 7.29E+08 6.77E+08 6.58E+08 6.62E+08 3.29E+08 7.15E+08 4.06E+08 4.86E+08 1.19E+09 1.16E+09 6.14E+08 1.42E+09 1.43E+09 5.04E+08 9.18E+08 8.57E+08 4.05E+08 6.89E+08 1.02E+09 6.24E+08 1.21E+09 1.30E+09 3.97E+08 1.01E+09 1.05E+09 4.93E+08 9.26E+08 8.27E+08 4.51E+08 1.40E+09 1.12E+09 4.44E+08 1.17E+09 8.59E+08 4.28E+08 1.02E+09 1.19E+09 2.68E+08 5.69E+08 4.79E+08 5.72E+08 9.85E+08 1.03E+09 2.53E+08 4.77E+08 1.04E+09 3.78E+08 6.41E+08 8.87E+08 3.52E+08 5.44E+08 5.06E+08 3.69E+08 6.53E+08 1.21E+09 4.08E+08 7.54E+08 8.90E+08 3.42E+08 5.51E+08 7.76E+08 D-(+)-Tryptophan 6.38E+05 3.34E+08 3.37E+08 3.23E+08 3.09E+08 2.99E+08 2.87E+08 2.72E+08 2.71E+08 2.68E+08 4.06E+08 2.38E+08 3.45E+08 3.31E+08 1.71E+08 2.46E+08 3.65E+08 1.93E+08 2.28E+08 3.59E+08 2.47E+08 2.95E+08 2.78E+08 2.10E+08 2.37E+08 3.22E+08 2.60E+08 2.70E+08 2.74E+08 1.72E+08 1.68E+08 3.81E+08 2.26E+08 2.28E+08 4.04E+08 2.61E+08 2.48E+08 4.45E+08 2.55E+08 2.43E+08 3.09E+08 3.60E+08 3.03E+08 2.78E+08 2.18E+08 2.14E+08 3.17E+08 3.12E+08 2.91E+08 3.33E+08 2.52E+08 2.39E+08 2.89E+08 3.06E+08 2.46E+08 3.32E+08 3.32E+08 3.25E+08 4.31E+08 4.00E+08 3.11E+08 3.44E+08 3.02E+08 2.19E+08 2.91E+08 2.91E+08 2.13E+08 2-Oxobutyric acid 2.23E+05 3.59E+06 3.64E+06 3.55E+06 3.66E+06 3.46E+06 3.11E+06 2.98E+06 2.97E+06 2.87E+06 3.09E+06 2.01E+06 5.68E+06 2.95E+06 1.20E+06 5.47E+06 3.07E+06 1.23E+06 5.34E+06 3.94E+06 1.36E+06 5.70E+06 3.33E+06 1.56E+06 6.39E+06 6.56E+06 2.39E+06 9.81E+06 1.25E+06 8.80E+05 2.85E+06 1.95E+06 1.32E+06 5.14E+06 4.01E+06 1.11E+06 6.35E+06 2.64E+06 8.76E+05 4.64E+06 2.48E+06 1.41E+06 7.29E+06 1.91E+06 1.76E+06 4.76E+06 2.70E+06 2.81E+06 7.07E+06 1.67E+06 8.53E+05 5.74E+06 2.70E+06 1.76E+06 4.78E+06 2.94E+06 1.51E+06 3.52E+06 1.60E+06 1.16E+06 6.00E+06 1.47E+06 1.57E+06 4.68E+06 3.62E+06 1.69E+06 3.99E+06 Xanthine 9.18E+03 2.55E+06 2.85E+06 2.70E+06 2.55E+06 2.31E+06 2.09E+06 1.79E+06 1.69E+06 1.67E+06 1.64E+06 4.14E+06 3.82E+06 1.18E+06 3.82E+06 5.84E+06 9.35E+05 3.89E+06 8.51E+06 7.99E+05 1.68E+06 2.46E+06 5.57E+05 1.55E+06 1.83E+06 1.10E+06 2.82E+06 4.04E+06 3.93E+05 1.33E+06 1.74E+06 9.60E+05 3.59E+06 3.51E+06 1.50E+06 4.67E+06 5.37E+06 2.15E+06 3.89E+06 2.85E+06 1.71E+06 3.47E+06 2.03E+06 7.38E+05 8.99E+05 8.83E+05 6.85E+05 1.36E+06 2.02E+06 1.34E+06 8.54E+05 1.85E+06 8.51E+05 1.02E+06 6.69E+05 8.41E+05 9.82E+05 1.21E+06 1.10E+06 8.84E+05 1.91E+06 1.08E+06 1.36E+06 1.61E+06 1.26E+06 1.24E+06 1.18E+06 L-(-)-Methionine 3.31E+03 4.72E+06 4.97E+06 4.76E+06 4.47E+06 4.23E+06 3.83E+06 3.55E+06 3.36E+06 3.20E+06 8.34E+06 3.96E+06 4.69E+06 6.18E+06 2.82E+06 3.47E+06 5.47E+06 2.72E+06 3.60E+06 4.08E+06 2.14E+06 3.11E+06 4.72E+06 3.73E+06 4.56E+06 4.29E+06 3.74E+06 4.57E+06 3.43E+06 2.12E+06 2.46E+06 9.55E+06 5.03E+06 5.16E+06 4.72E+06 3.26E+06 3.37E+06 7.90E+06 4.95E+06 5.36E+06 4.65E+06 4.63E+06 3.75E+06 5.08E+06 3.61E+06 2.79E+06 2.47E+06 3.11E+06 3.52E+06 5.11E+06 3.36E+06 3.51E+06 3.82E+06 4.10E+06 3.08E+06 4.07E+06 3.90E+06 3.80E+06 4.50E+06 3.36E+06 3.61E+06 3.53E+06 2.99E+06 2.33E+06 3.77E+06 3.28E+06 3.12E+06 Kynurenic acid 3.99E+04 3.17E+06 3.15E+06 2.93E+06 2.82E+06 2.90E+06 2.54E+06 2.48E+06 2.55E+06 2.35E+06 2.27E+06 4.05E+06 1.71E+06 2.19E+06 2.60E+06 2.71E+06 2.62E+06 6.97E+06 2.13E+06 2.48E+06 3.50E+06 1.91E+06 2.47E+06 3.30E+06 1.76E+06 2.35E+06 4.30E+06 2.91E+06 1.72E+06 2.83E+06 1.66E+06 3.13E+06 6.03E+06 1.95E+06 1.58E+06 4.78E+06 2.50E+06 3.23E+06 1.08E+07 3.29E+06 2.53E+06 3.00E+06 3.21E+06 1.59E+06 1.81E+06 1.17E+06 2.87E+06 4.14E+06 2.43E+06 1.49E+06 1.59E+06 2.20E+06 2.52E+06 2.78E+06 1.71E+06 2.57E+06 3.12E+06 2.48E+06 1.23E+06 2.12E+06 2.93E+06 1.38E+06 1.48E+06 1.03E+06 1.99E+06 2.63E+06 2.57E+06 L-Tyrosine 7.95E+03 9.15E+06 9.75E+06 9.65E+06 9.84E+06 9.81E+06 9.60E+06 9.27E+06 9.13E+06 8.96E+06 1.35E+07 9.38E+06 1.11E+07 1.54E+07 8.32E+06 9.98E+06 1.15E+07 6.37E+06 6.98E+06 9.43E+06 6.92E+06 6.86E+06 7.84E+06 5.63E+06 7.31E+06 8.76E+06 6.94E+06 7.31E+06 7.58E+06 5.02E+06 5.00E+06 1.49E+07 9.42E+06 6.40E+06 1.29E+07 7.78E+06 8.70E+06 1.50E+07 1.07E+07 8.74E+06 9.94E+06 1.07E+07 8.14E+06 9.22E+06 8.04E+06 6.25E+06 6.56E+06 7.77E+06 6.85E+06 1.68E+07 1.21E+07 1.30E+07 8.34E+06 8.06E+06 6.97E+06 1.12E+07 1.09E+07 1.04E+07 1.02E+07 8.84E+06 9.71E+06 1.39E+07 1.15E+07 8.04E+06 9.91E+06 9.44E+06 8.95E+06 Lactamide 8.62E+06 6.96E+08 6.69E+08 6.46E+08 6.31E+08 6.25E+08 6.17E+08 5.52E+08 5.75E+08 5.60E+08 7.86E+08 9.15E+08 7.35E+08 5.53E+08 6.01E+08 5.21E+08 6.56E+08 9.04E+08 5.50E+08 6.35E+08 8.04E+08 6.14E+08 5.67E+08 7.21E+08 5.23E+08 5.78E+08 8.33E+08 5.75E+08 5.88E+08 8.08E+08 5.49E+08 7.44E+08 8.10E+08 6.12E+08 6.57E+08 8.14E+08 6.20E+08 6.34E+08 8.73E+08 7.23E+08 6.26E+08 5.62E+08 3.73E+08 5.60E+08 5.00E+08 3.45E+08 3.45E+08 4.39E+08 3.58E+08 5.37E+08 4.99E+08 4.47E+08 5.03E+08 6.78E+08 4.37E+08 5.72E+08 5.59E+08 5.14E+08 5.27E+08 5.16E+08 4.61E+08 4.85E+08 5.39E+08 3.52E+08 6.12E+08 6.28E+08 5.13E+08 NP-015114 1.72E+05 1.53E+06 1.81E+06 1.60E+06 1.63E+06 1.55E+06 1.33E+06 1.22E+06 1.21E+06 1.17E+06 1.10E+06 1.24E+06 1.01E+06 1.61E+06 2.66E+06 2.32E+06 1.43E+06 2.35E+06 2.13E+06 1.26E+06 1.60E+06 1.32E+06 8.38E+05 1.23E+06 1.07E+06 1.27E+06 2.11E+06 1.71E+06 9.71E+05 1.44E+06 1.22E+06 1.10E+06 1.34E+06 1.18E+06 1.68E+06 3.08E+06 2.49E+06 1.31E+06 2.28E+06 1.92E+06 1.04E+06 1.19E+06 1.24E+06 9.67E+05 1.02E+06 1.07E+06 1.07E+06 1.17E+06 1.23E+06 1.31E+06 9.62E+05 1.63E+06 7.39E+05 8.96E+05 9.04E+05 1.28E+06 1.37E+06 1.60E+06 1.15E+06 8.54E+05 1.41E+06 9.57E+05 1.35E+06 1.22E+06 9.88E+05 1.11E+06 1.20E+06 4-Oxoproline 2.50E+06 1.78E+07 1.87E+07 1.87E+07 1.86E+07 1.88E+07 1.91E+07 1.86E+07 1.84E+07 1.84E+07 1.44E+07 1.16E+07 1.69E+07 1.93E+07 1.48E+07 2.13E+07 1.62E+07 1.06E+07 1.60E+07 1.63E+07 1.66E+07 1.70E+07 1.88E+07 1.59E+07 1.81E+07 2.13E+07 1.81E+07 2.38E+07 1.55E+07 1.19E+07 1.53E+07 1.71E+07 1.29E+07 1.35E+07 2.09E+07 1.74E+07 2.33E+07 1.85E+07 1.37E+07 1.37E+07 2.10E+07 2.27E+07 1.98E+07 1.91E+07 2.27E+07 1.98E+07 1.97E+07 2.32E+07 2.15E+07 2.07E+07 1.89E+07 2.00E+07 1.82E+07 1.90E+07 1.71E+07 1.73E+07 1.87E+07 1.85E+07 1.89E+07 2.02E+07 1.90E+07 2.17E+07 2.12E+07 2.05E+07 2.13E+07 2.51E+07 2.30E+07 Acrylic acid 1.52E+05 5.31E+07 5.27E+07 5.36E+07 4.94E+07 4.71E+07 4.66E+07 4.41E+07 4.15E+07 4.07E+07 4.49E+07 4.84E+07 5.35E+07 4.47E+07 5.19E+07 5.22E+07 5.31E+07 8.20E+07 4.77E+07 4.81E+07 5.00E+07 5.24E+07 3.92E+07 4.82E+07 4.87E+07 4.97E+07 5.58E+07 5.70E+07 4.42E+07 4.67E+07 5.00E+07 5.01E+07 6.89E+07 5.23E+07 5.77E+07 7.84E+07 5.63E+07 5.89E+07 8.25E+07 4.89E+07 4.05E+07 3.97E+07 4.60E+07 4.73E+07 3.79E+07 4.08E+07 4.14E+07 4.03E+07 4.62E+07 3.21E+07 3.08E+07 3.98E+07 3.56E+07 4.70E+07 3.95E+07 3.66E+07 4.05E+07 4.16E+07 3.70E+07 3.79E+07 4.35E+07 4.34E+07 4.75E+07 4.08E+07 4.58E+07 4.27E+07 4.06E+07 Asparagine 9.00E+03 1.21E+07 1.30E+07 1.25E+07 1.20E+07 1.18E+07 1.11E+07 1.04E+07 1.03E+07 1.01E+07 1.86E+07 1.13E+07 1.36E+07 9.40E+06 5.20E+06 6.03E+06 2.24E+07 1.22E+07 1.03E+07 1.41E+07 1.09E+07 1.09E+07 1.20E+07 1.02E+07 1.07E+07 1.05E+07 1.03E+07 1.02E+07 1.74E+07 1.24E+07 1.06E+07 1.86E+07 1.27E+07 1.07E+07 1.21E+07 7.78E+06 9.25E+06 1.74E+07 1.42E+07 9.94E+06 1.40E+07 1.06E+07 9.31E+06 1.51E+07 1.03E+07 1.00E+07 6.79E+06 7.51E+06 8.03E+06 9.69E+06 7.34E+06 6.92E+06 1.04E+07 1.12E+07 7.69E+06 1.16E+07 1.08E+07 1.02E+07 1.17E+07 9.51E+06 9.47E+06 1.04E+07 8.92E+06 6.48E+06 1.45E+07 1.27E+07 1.11E+07 Glu-Gln 2.17E+04 1.03E+07 1.46E+07 1.45E+07 1.40E+07 1.40E+07 1.31E+07 1.29E+07 1.28E+07 1.19E+07 2.68E+07 1.02E+07 2.43E+07 1.11E+07 4.48E+06 1.35E+07 1.69E+07 8.80E+06 2.00E+07 1.67E+07 7.37E+06 1.27E+07 1.30E+07 8.83E+06 1.38E+07 1.39E+07 1.10E+07 1.69E+07 1.51E+07 1.03E+07 1.66E+07 1.26E+07 7.00E+06 1.18E+07 1.49E+07 1.96E+07 1.70E+07 1.83E+07 1.26E+07 2.43E+07 9.76E+06 1.41E+07 1.05E+07 1.45E+07 1.63E+07 1.68E+07 1.41E+07 1.94E+07 2.02E+07 9.14E+06 8.38E+06 1.26E+07 1.11E+07 7.96E+06 1.13E+07 1.04E+07 1.26E+07 1.16E+07 1.19E+07 1.04E+07 1.10E+07 1.71E+07 1.61E+07 1.62E+07 2.37E+07 1.98E+07 2.22E+07 FA 2:0 1.08E+05 2.26E+07 2.23E+07 2.19E+07 2.11E+07 2.03E+07 1.92E+07 1.78E+07 1.74E+07 1.70E+07 1.86E+07 1.93E+07 2.33E+07 1.79E+07 2.12E+07 2.19E+07 2.25E+07 3.81E+07 1.99E+07 2.02E+07 2.10E+07 2.16E+07 1.62E+07 2.14E+07 2.17E+07 2.07E+07 2.24E+07 2.52E+07 1.78E+07 1.91E+07 2.02E+07 2.12E+07 3.04E+07 2.21E+07 2.39E+07 3.46E+07 2.37E+07 2.54E+07 3.76E+07 2.05E+07 1.63E+07 1.69E+07 1.93E+07 1.98E+07 1.56E+07 1.66E+07 1.72E+07 1.72E+07 1.94E+07 1.28E+07 1.18E+07 1.68E+07 1.46E+07 1.97E+07 1.64E+07 1.50E+07 1.63E+07 1.71E+07 1.49E+07 1.54E+07 1.87E+07 1.79E+07 1.97E+07 1.67E+07 1.95E+07 1.72E+07 1.72E+07 Lidocaine 4.25E+04 5.46E+07 5.19E+07 4.91E+07 4.90E+07 4.81E+07 4.31E+07 4.05E+07 4.10E+07 3.99E+07 3.50E+06 5.30E+07 3.17E+07 2.07E+04 6.78E+07 4.98E+07 4.19E+06 1.22E+08 4.48E+07 1.03E+07 2.97E+07 2.49E+07 8.70E+06 1.07E+08 4.61E+07 4.49E+07 5.56E+07 3.63E+07 9.95E+06 7.54E+07 8.92E+07 2.78E+07 7.41E+07 5.44E+07 4.80E+07 6.28E+07 4.43E+07 3.24E+07 6.85E+07 5.32E+07 6.39E+07 5.63E+07 4.88E+07 4.30E+06 2.87E+07 2.07E+07 5.60E+07 6.41E+07 4.43E+07 7.72E+05 6.50E+07 3.88E+07 9.01E+06 3.02E+07 1.73E+07 8.17E+07 1.27E+08 3.26E+07 2.51E+06 3.91E+07 2.47E+04 4.57E+06 1.18E+08 4.40E+07 6.08E+07 9.03E+07 6.77E+07 Uracil 1.47E+06 5.22E+06 5.21E+06 4.94E+06 4.80E+06 4.49E+06 4.29E+06 4.15E+06 3.89E+06 3.73E+06 6.34E+06 5.56E+06 5.18E+06 4.71E+06 4.69E+06 5.29E+06 4.07E+06 6.16E+06 4.91E+06 4.25E+06 4.24E+06 5.85E+06 4.21E+06 5.24E+06 6.09E+06 2.88E+06 4.68E+06 4.72E+06 4.65E+06 5.83E+06 5.21E+06 3.58E+06 4.96E+06 5.92E+06 3.30E+06 5.75E+06 4.49E+06 5.60E+06 1.19E+07 4.14E+06 3.34E+06 3.97E+06 6.32E+06 3.62E+06 3.65E+06 4.69E+06 2.92E+06 3.93E+06 5.11E+06 3.04E+06 2.99E+06 4.71E+06 4.07E+06 3.61E+06 2.72E+06 3.88E+06 3.27E+06 3.71E+06 2.80E+06 2.99E+06 5.03E+06 2.77E+06 3.18E+06 3.26E+06 3.83E+06 3.49E+06 4.13E+06 Succinic semialdehyde 8.69E+05 4.70E+07 4.79E+07 5.43E+07 5.08E+07 4.70E+07 4.35E+07 3.63E+07 3.42E+07 3.39E+07 4.12E+07 4.74E+07 5.23E+07 4.34E+07 5.11E+07 4.94E+07 4.71E+07 7.22E+07 4.21E+07 4.42E+07 4.37E+07 4.77E+07 3.43E+07 4.32E+07 4.41E+07 4.96E+07 4.82E+07 5.17E+07 3.85E+07 4.18E+07 4.34E+07 5.17E+07 6.56E+07 4.73E+07 5.58E+07 8.08E+07 5.88E+07 4.94E+07 7.04E+07 4.40E+07 3.42E+07 3.33E+07 3.84E+07 3.83E+07 3.19E+07 3.37E+07 3.36E+07 3.41E+07 4.27E+07 2.70E+07 2.61E+07 3.64E+07 2.98E+07 3.77E+07 3.41E+07 3.22E+07 3.44E+07 3.37E+07 3.20E+07 3.27E+07 4.18E+07 3.68E+07 3.98E+07 3.41E+07 4.26E+07 3.25E+07 3.26E+07 Glutaric acid 1.70E+05 1.12E+07 1.09E+07 1.02E+07 9.05E+06 8.97E+06 8.48E+06 7.47E+06 7.22E+06 7.15E+06 8.96E+06 8.39E+06 9.78E+06 8.16E+06 9.33E+06 9.73E+06 1.00E+07 1.62E+07 9.44E+06 9.95E+06 9.50E+06 1.06E+07 7.65E+06 9.06E+06 9.73E+06 1.06E+07 1.29E+07 1.40E+07 8.03E+06 9.06E+06 9.76E+06 9.55E+06 1.23E+07 1.07E+07 1.03E+07 1.45E+07 1.08E+07 1.12E+07 1.57E+07 1.02E+07 7.07E+06 7.14E+06 8.03E+06 8.64E+06 7.10E+06 7.50E+06 7.39E+06 7.50E+06 8.18E+06 5.74E+06 5.50E+06 7.56E+06 6.20E+06 8.11E+06 6.83E+06 6.51E+06 6.95E+06 7.17E+06 6.49E+06 6.57E+06 8.42E+06 7.52E+06 8.22E+06 7.30E+06 7.98E+06 7.08E+06 6.97E+06 PHOSPHOCHOLINE 6.08E+04 9.52E+06 5.55E+06 6.31E+06 9.34E+06 5.67E+06 9.16E+06 5.42E+06 8.79E+06 5.24E+06 6.36E+06 6.01E+06 7.41E+06 9.74E+06 1.38E+07 7.82E+06 5.94E+06 1.40E+07 6.06E+06 2.16E+06 7.56E+06 2.48E+06 8.56E+06 9.59E+06 5.77E+06 2.98E+06 5.72E+06 5.08E+06 5.91E+06 1.27E+07 3.30E+06 1.06E+07 1.63E+07 7.26E+06 1.30E+06 4.42E+06 3.94E+06 9.33E+06 1.55E+07 2.10E+06 4.14E+06 6.23E+06 4.68E+06 7.14E+06 3.97E+06 3.87E+06 3.60E+06 3.00E+06 2.97E+06 5.84E+06 4.95E+06 6.16E+06 8.44E+06 1.11E+07 7.86E+06 9.22E+06 5.76E+06 5.19E+06 6.08E+06 5.69E+06 9.26E+06 9.16E+06 9.13E+06 8.33E+06 5.86E+06 9.07E+06 1.10E+07 4-Hydroxybutyric acid (GHB) 4.25E+04 2.97E+07 3.00E+07 2.85E+07 2.71E+07 2.53E+07 2.43E+07 2.38E+07 2.31E+07 2.25E+07 1.95E+07 2.98E+07 3.88E+07 2.59E+07 3.20E+07 5.33E+07 2.17E+07 2.35E+07 4.81E+07 3.00E+07 2.94E+07 4.79E+07 1.66E+07 2.36E+07 4.47E+07 3.50E+07 4.38E+07 6.70E+07 8.84E+06 1.08E+07 2.56E+07 1.38E+07 2.01E+07 4.68E+07 2.29E+07 2.72E+07 4.39E+07 1.24E+07 1.98E+07 3.81E+07 1.91E+07 1.38E+07 5.24E+07 1.48E+07 1.35E+07 3.64E+07 1.23E+07 2.43E+07 4.49E+07 8.62E+06 6.45E+06 4.20E+07 1.58E+07 1.40E+07 3.49E+07 1.45E+07 8.92E+06 1.95E+07 1.12E+07 1.01E+07 4.24E+07 1.14E+07 1.44E+07 2.81E+07 1.63E+07 1.19E+07 2.23E+07 3-Hydroxybutyric acid 3.48E+04 1.65E+07 1.61E+07 1.55E+07 1.46E+07 1.30E+07 1.25E+07 1.22E+07 1.18E+07 1.14E+07 8.27E+06 1.15E+07 6.65E+06 5.86E+06 6.95E+06 1.44E+07 4.62E+06 7.35E+06 3.31E+07 6.55E+06 8.36E+06 1.38E+07 4.37E+06 7.41E+06 6.68E+07 5.21E+06 5.93E+06 5.50E+07 2.78E+06 6.14E+06 1.31E+07 7.22E+06 1.00E+07 1.19E+07 5.06E+06 1.70E+07 1.66E+07 3.25E+06 7.44E+06 2.04E+07 3.02E+06 5.75E+06 5.06E+07 3.02E+06 6.99E+06 1.70E+07 1.56E+07 1.49E+07 3.97E+07 2.76E+06 3.02E+06 9.47E+07 2.22E+06 4.46E+06 2.07E+07 2.04E+06 2.65E+06 2.97E+06 2.10E+06 2.82E+06 4.27E+07 2.88E+06 4.17E+06 2.24E+07 2.27E+06 3.79E+06 3.20E+07 Arachidonic acid 2.02E+04 2.93E+07 2.84E+07 2.68E+07 2.54E+07 2.54E+07 2.42E+07 2.40E+07 2.36E+07 2.33E+07 1.89E+07 1.61E+07 2.30E+07 2.37E+07 2.52E+07 4.86E+07 1.63E+07 1.95E+07 5.55E+07 1.81E+07 1.51E+07 3.99E+07 1.14E+07 1.47E+07 3.79E+07 2.71E+07 2.31E+07 7.76E+07 1.20E+07 9.30E+06 3.44E+07 1.53E+07 1.55E+07 2.74E+07 1.81E+07 3.40E+07 7.74E+07 1.82E+07 2.25E+07 4.99E+07 1.11E+07 2.21E+07 5.42E+07 1.37E+07 4.18E+07 6.18E+07 2.58E+07 3.52E+07 4.74E+07 8.25E+06 1.19E+07 4.88E+07 7.14E+06 8.82E+06 2.69E+07 1.13E+07 1.25E+07 2.44E+07 9.88E+06 9.69E+06 4.86E+07 2.55E+07 2.72E+07 5.69E+07 9.47E+06 9.67E+06 3.55E+07 11(Z),14(Z)-Eicosadienoic Acid 4.10E+04 6.95E+06 6.50E+06 6.72E+06 5.84E+06 5.50E+06 5.46E+06 6.13E+06 5.07E+06 5.41E+06 5.30E+06 4.79E+06 8.84E+06 6.28E+06 4.29E+06 1.07E+07 4.42E+06 3.14E+06 1.72E+07 2.93E+06 1.27E+07 8.46E+06 4.74E+06 4.38E+06 1.24E+07 6.47E+06 5.37E+06 2.05E+07 2.79E+06 3.53E+06 1.37E+07 3.49E+06 5.20E+06 6.35E+06 2.77E+06 4.50E+06 1.97E+07 3.44E+06 1.66E+06 1.30E+07 1.89E+06 5.16E+06 1.20E+07 1.67E+06 9.82E+06 1.28E+07 4.98E+06 8.56E+06 1.07E+07 1.78E+06 3.23E+06 1.74E+07 8.56E+05 8.28E+05 1.23E+07 2.30E+06 3.85E+06 4.53E+06 2.44E+06 1.96E+06 2.11E+07 3.89E+06 4.83E+06 1.40E+07 1.78E+06 5.08E+06 1.20E+07 Oleic Acid 2.32E+06 1.00E+09 9.83E+08 9.04E+08 9.15E+08 9.01E+08 8.57E+08 8.86E+08 8.73E+08 8.40E+08 5.66E+08 4.17E+08 1.20E+09 5.08E+08 3.86E+08 1.46E+09 4.37E+08 3.65E+08 1.99E+09 5.36E+08 5.38E+08 1.02E+09 3.86E+08 4.64E+08 1.58E+09 1.13E+09 6.38E+08 2.90E+09 3.35E+08 2.49E+08 1.54E+09 4.28E+08 4.57E+08 8.64E+08 2.03E+08 3.84E+08 2.96E+09 1.85E+08 2.37E+08 1.91E+09 1.21E+08 1.04E+09 1.64E+09 1.23E+08 1.50E+09 1.49E+09 1.17E+09 1.67E+09 1.84E+09 1.51E+08 4.52E+08 1.94E+09 6.45E+07 1.06E+08 9.67E+08 1.58E+08 3.49E+08 6.64E+08 2.72E+08 5.00E+08 3.03E+09 7.45E+08 9.42E+08 1.99E+09 3.46E+08 3.85E+08 1.96E+09 Myristic Acid 1.07E+05 2.47E+07 2.48E+07 2.42E+07 2.39E+07 2.32E+07 2.17E+07 2.16E+07 2.12E+07 2.15E+07 1.79E+07 1.28E+07 1.98E+07 1.97E+07 1.94E+07 4.69E+07 6.94E+06 8.39E+06 5.13E+07 7.41E+06 6.39E+06 2.23E+07 7.69E+06 9.46E+06 2.76E+07 3.37E+07 2.48E+07 8.67E+07 6.52E+06 6.82E+06 2.87E+07 6.00E+06 7.20E+06 9.63E+06 1.02E+07 2.04E+07 8.09E+07 6.26E+06 6.12E+06 5.55E+07 7.13E+06 3.74E+07 4.45E+07 6.53E+06 3.01E+07 2.68E+07 2.68E+07 4.14E+07 4.25E+07 1.04E+07 2.25E+07 4.08E+07 3.99E+06 4.79E+06 1.92E+07 5.10E+06 1.01E+07 1.47E+07 6.36E+06 1.08E+07 5.00E+07 1.88E+07 2.49E+07 3.98E+07 4.68E+06 6.41E+06 2.03E+07 Ethyl myristate 7.97E+06 3.60E+08 3.60E+08 3.40E+08 3.38E+08 3.18E+08 3.09E+08 2.88E+08 2.84E+08 2.78E+08 2.81E+08 2.83E+08 2.97E+08 2.94E+08 2.52E+08 4.14E+08 2.20E+08 2.41E+08 4.90E+08 2.24E+08 2.21E+08 3.37E+08 2.30E+08 2.31E+08 3.87E+08 3.65E+08 3.53E+08 6.25E+08 2.38E+08 2.88E+08 3.30E+08 2.24E+08 2.24E+08 2.69E+08 2.47E+08 2.96E+08 6.99E+08 2.06E+08 2.37E+08 5.01E+08 1.84E+08 3.79E+08 4.44E+08 1.85E+08 3.87E+08 3.53E+08 3.11E+08 3.97E+08 4.16E+08 1.75E+08 2.95E+08 4.74E+08 1.43E+08 1.48E+08 2.90E+08 1.70E+08 2.97E+08 2.36E+08 1.89E+08 2.00E+08 5.26E+08 2.47E+08 3.45E+08 3.77E+08 1.97E+08 1.69E+08 3.37E+08 11(Z)-Eicosenoic acid 4.10E+04 1.30E+07 1.30E+07 1.19E+07 1.14E+07 1.10E+07 1.10E+07 1.12E+07 1.08E+07 1.04E+07 8.75E+06 4.76E+06 1.58E+07 6.28E+06 4.29E+06 1.84E+07 4.42E+06 3.18E+06 2.76E+07 1.34E+07 1.27E+07 1.61E+07 4.74E+06 4.38E+06 2.18E+07 1.09E+07 5.37E+06 3.34E+07 5.07E+06 3.53E+06 2.28E+07 6.55E+06 5.20E+06 1.35E+07 2.77E+06 4.50E+06 3.79E+07 3.44E+06 5.52E+06 2.65E+07 1.89E+06 1.05E+07 2.21E+07 1.67E+06 1.39E+07 1.75E+07 1.12E+07 1.87E+07 2.62E+07 1.78E+06 6.52E+06 2.74E+07 8.56E+05 1.20E+06 1.23E+07 2.28E+06 3.85E+06 8.36E+06 2.44E+06 3.92E+06 4.85E+07 1.24E+07 1.41E+07 3.97E+07 5.83E+06 5.18E+06 2.90E+07 L-Isoleucine 1.57E+06 7.15E+08 7.17E+08 6.76E+08 6.63E+08 6.33E+08 5.97E+08 5.66E+08 5.82E+08 5.45E+08 7.78E+08 5.39E+08 5.57E+08 1.05E+09 7.28E+08 6.96E+08 7.59E+08 6.17E+08 4.67E+08 6.84E+08 5.41E+08 6.12E+08 5.87E+08 5.18E+08 5.09E+08 6.43E+08 6.03E+08 6.12E+08 6.03E+08 5.19E+08 4.45E+08 9.84E+08 6.53E+08 5.80E+08 8.30E+08 8.96E+08 6.82E+08 6.52E+08 6.54E+08 4.18E+08 5.27E+08 5.70E+08 6.20E+08 6.70E+08 5.54E+08 5.97E+08 5.58E+08 5.29E+08 6.06E+08 6.53E+08 4.44E+08 5.46E+08 5.56E+08 5.83E+08 5.05E+08 5.53E+08 5.80E+08 5.09E+08 5.64E+08 4.95E+08 5.14E+08 5.44E+08 4.77E+08 4.12E+08 4.53E+08 4.93E+08 4.89E+08 trans-10-Heptadecenoic acid 2.51E+03 2.72E+06 2.53E+06 2.73E+06 2.50E+06 2.46E+06 2.48E+06 2.53E+06 2.23E+06 1.99E+06 9.70E+05 6.12E+05 1.68E+06 1.61E+06 1.40E+06 5.85E+06 4.72E+05 5.39E+05 6.23E+06 5.31E+05 5.39E+05 2.13E+06 6.52E+05 9.23E+05 3.47E+06 4.69E+06 2.65E+06 1.10E+07 2.79E+05 2.39E+05 1.76E+06 7.81E+05 9.29E+05 1.76E+06 7.88E+05 1.69E+06 1.08E+07 3.47E+05 4.16E+05 4.20E+06 3.89E+05 3.18E+06 4.69E+06 3.42E+05 3.13E+06 3.07E+06 5.18E+06 8.71E+06 8.63E+06 5.72E+05 1.65E+06 5.31E+06 1.65E+05 2.55E+05 2.63E+06 2.44E+05 7.47E+05 1.39E+06 4.19E+05 1.15E+06 5.20E+06 1.72E+06 2.83E+06 4.62E+06 3.03E+05 4.56E+05 2.39E+06 URIC ACID 2.41E+03 3.83E+08 3.83E+08 3.63E+08 3.59E+08 3.38E+08 3.28E+08 3.10E+08 3.15E+08 3.08E+08 3.39E+08 3.68E+08 3.72E+08 3.83E+08 3.78E+08 4.41E+08 3.76E+08 3.97E+08 4.58E+08 3.70E+08 3.55E+08 3.91E+08 3.66E+08 3.71E+08 4.01E+08 3.62E+08 3.96E+08 4.35E+08 3.15E+08 3.19E+08 3.64E+08 3.31E+08 3.37E+08 3.99E+08 3.65E+08 3.87E+08 4.63E+08 3.61E+08 3.85E+08 3.73E+08 2.97E+08 3.27E+08 3.18E+08 2.90E+08 2.70E+08 2.45E+08 2.95E+08 3.03E+08 3.15E+08 2.98E+08 2.74E+08 3.07E+08 2.82E+08 2.84E+08 2.70E+08 3.06E+08 3.14E+08 2.95E+08 2.95E+08 2.78E+08 3.08E+08 2.84E+08 2.91E+08 2.63E+08 3.48E+08 3.35E+08 3.36E+08 Isoleucine 8.95E+05 9.56E+08 9.03E+08 8.51E+08 8.46E+08 8.14E+08 7.78E+08 7.61E+08 7.16E+08 6.98E+08 1.07E+09 6.49E+08 7.38E+08 1.49E+09 1.06E+09 1.01E+09 9.53E+08 6.18E+08 6.01E+08 1.01E+09 6.88E+08 7.55E+08 7.37E+08 6.68E+08 6.53E+08 7.68E+08 8.63E+08 7.58E+08 7.13E+08 5.85E+08 5.23E+08 1.13E+09 8.76E+08 6.94E+08 1.12E+09 1.11E+09 9.08E+08 9.21E+08 8.19E+08 6.24E+08 7.71E+08 8.12E+08 9.20E+08 9.77E+08 7.80E+08 8.11E+08 7.83E+08 7.35E+08 8.28E+08 8.51E+08 5.76E+08 7.58E+08 7.56E+08 8.26E+08 7.05E+08 7.54E+08 8.05E+08 7.23E+08 8.58E+08 7.09E+08 7.67E+08 8.27E+08 7.07E+08 5.86E+08 6.01E+08 6.33E+08 6.40E+08 FA 17:0 1.73E+04 4.54E+06 4.43E+06 4.06E+06 4.14E+06 3.82E+06 3.71E+06 3.34E+06 3.62E+06 3.36E+06 2.99E+06 2.28E+06 3.11E+06 3.86E+06 3.61E+06 8.45E+06 1.63E+06 1.72E+06 8.78E+06 1.50E+06 1.45E+06 3.53E+06 1.52E+06 1.94E+06 5.42E+06 5.02E+06 3.72E+06 1.25E+07 1.00E+06 1.14E+06 2.05E+06 2.09E+06 2.20E+06 3.04E+06 2.15E+06 3.82E+06 1.50E+07 1.15E+06 1.28E+06 6.02E+06 1.15E+06 5.03E+06 8.21E+06 1.16E+06 4.66E+06 4.95E+06 6.48E+06 8.96E+06 1.04E+07 1.36E+06 2.71E+06 9.14E+06 7.12E+05 8.45E+05 4.10E+06 9.40E+05 1.72E+06 2.30E+06 1.20E+06 1.55E+06 8.87E+06 3.34E+06 3.85E+06 7.87E+06 1.03E+06 1.02E+06 3.16E+06 N-Benzylformamide 3.84E+04 6.79E+06 6.84E+06 7.30E+06 7.22E+06 7.15E+06 6.77E+06 6.30E+06 6.39E+06 6.73E+06 8.55E+06 7.53E+06 7.90E+06 9.90E+06 7.21E+06 6.97E+06 8.36E+06 5.56E+06 4.98E+06 6.49E+06 5.94E+06 4.60E+06 5.76E+06 4.98E+06 5.07E+06 5.94E+06 5.92E+06 5.22E+06 5.22E+06 4.68E+06 4.00E+06 1.03E+07 8.27E+06 4.58E+06 8.73E+06 6.92E+06 6.19E+06 9.25E+06 9.46E+06 5.48E+06 6.40E+06 7.47E+06 5.68E+06 6.46E+06 5.24E+06 3.89E+06 4.61E+06 5.29E+06 4.86E+06 1.00E+07 7.20E+06 9.30E+06 5.72E+06 6.07E+06 4.84E+06 7.25E+06 6.90E+06 7.03E+06 7.23E+06 6.07E+06 6.65E+06 9.15E+06 7.37E+06 5.38E+06 6.56E+06 6.44E+06 5.61E+06 L-Phenylalanine 1.69E+04 2.42E+07 2.31E+07 2.28E+07 2.20E+07 1.98E+07 1.88E+07 1.76E+07 1.65E+07 1.63E+07 3.48E+07 2.32E+07 2.72E+07 2.70E+07 1.82E+07 2.09E+07 2.72E+07 2.03E+07 1.63E+07 2.53E+07 1.81E+07 1.92E+07 1.98E+07 1.94E+07 1.81E+07 1.90E+07 2.18E+07 2.01E+07 2.12E+07 1.75E+07 1.54E+07 2.94E+07 2.24E+07 2.01E+07 2.64E+07 2.36E+07 2.23E+07 2.98E+07 2.72E+07 2.14E+07 1.71E+07 1.73E+07 1.91E+07 2.15E+07 1.64E+07 1.59E+07 1.50E+07 1.83E+07 1.99E+07 1.93E+07 1.38E+07 1.48E+07 1.97E+07 2.20E+07 1.62E+07 1.86E+07 1.87E+07 1.74E+07 1.90E+07 1.49E+07 1.98E+07 1.62E+07 1.44E+07 1.11E+07 2.19E+07 1.86E+07 1.48E+07 Docosahexaenoic Acid 8.24E+03 2.73E+07 2.67E+07 2.43E+07 2.36E+07 2.35E+07 2.20E+07 2.20E+07 2.22E+07 2.15E+07 3.94E+07 2.94E+07 5.33E+07 3.91E+07 3.48E+07 8.62E+07 2.03E+07 1.89E+07 6.14E+07 1.77E+07 1.22E+07 3.05E+07 1.22E+07 1.55E+07 3.45E+07 1.98E+07 2.11E+07 5.27E+07 8.51E+06 7.03E+06 2.34E+07 2.78E+07 2.47E+07 4.22E+07 8.32E+06 1.49E+07 5.06E+07 1.32E+07 1.68E+07 5.25E+07 4.72E+06 1.17E+07 3.99E+07 7.85E+06 2.86E+07 4.65E+07 1.38E+07 2.01E+07 2.91E+07 5.92E+06 7.39E+06 4.22E+07 7.59E+06 8.38E+06 4.33E+07 6.16E+06 6.65E+06 1.80E+07 1.22E+07 8.06E+06 6.48E+07 3.33E+07 3.48E+07 8.77E+07 4.56E+06 3.15E+06 2.22E+07 Valeric acid 3.30E+04 2.93E+05 3.21E+05 3.28E+05 3.25E+05 3.01E+05 3.14E+05 3.33E+05 3.38E+05 3.31E+05 3.06E+05 2.15E+05 2.01E+05 3.03E+05 3.30E+05 2.99E+05 2.00E+05 1.77E+05 2.02E+05 2.62E+05 1.54E+05 1.34E+05 3.44E+05 1.65E+05 1.25E+05 4.30E+05 2.45E+05 1.69E+05 1.20E+05 1.34E+05 1.15E+05 4.69E+05 3.35E+05 2.40E+05 7.10E+05 2.81E+05 4.35E+05 4.03E+05 3.05E+05 1.40E+05 3.62E+05 4.54E+05 3.13E+05 3.39E+05 3.27E+05 2.75E+05 3.68E+05 4.71E+05 5.69E+05 7.03E+05 3.16E+05 3.09E+05 2.64E+05 3.61E+05 2.72E+05 3.92E+05 3.29E+05 4.71E+05 2.05E+05 2.57E+05 3.23E+05 3.13E+05 3.64E+05 2.99E+05 3.23E+05 1.61E+05 1.88E+05 Taurochenodeoxycholic Acid (sodium salt) 4.87E+03 1.10E+07 1.07E+07 1.02E+07 1.01E+07 9.82E+06 9.25E+06 8.97E+06 8.82E+06 8.51E+06 3.96E+07 3.15E+07 6.91E+06 1.73E+07 4.61E+06 5.80E+06 3.30E+07 3.19E+07 3.21E+06 3.14E+07 2.36E+07 4.68E+06 5.37E+06 9.19E+06 1.20E+06 3.58E+06 9.18E+06 1.41E+06 9.88E+06 1.63E+07 2.70E+06 7.89E+06 1.83E+07 2.94E+06 5.02E+06 9.58E+06 6.43E+06 3.55E+06 6.09E+06 1.40E+06 6.45E+06 2.52E+06 2.43E+06 9.09E+06 5.01E+06 7.14E+05 5.49E+06 1.24E+06 1.42E+06 5.26E+07 1.70E+07 4.75E+06 6.86E+06 9.29E+06 2.38E+06 3.19E+06 2.98E+06 3.11E+06 4.32E+06 1.98E+06 6.95E+05 1.30E+07 1.09E+07 1.00E+06 8.20E+06 8.79E+06 2.79E+06 16-Hydroxyhexadecanoic acid 4.48E+05 6.14E+06 5.97E+06 5.65E+06 5.62E+06 5.47E+06 4.82E+06 4.92E+06 5.07E+06 4.49E+06 6.88E+06 5.90E+06 6.79E+06 5.37E+06 5.53E+06 7.37E+06 6.18E+06 5.04E+06 8.51E+06 5.30E+06 5.16E+06 5.49E+06 4.61E+06 5.24E+06 6.82E+06 4.65E+06 5.21E+06 6.52E+06 3.71E+06 3.63E+06 4.84E+06 4.96E+06 5.01E+06 6.07E+06 5.05E+06 5.58E+06 8.56E+06 4.83E+06 5.60E+06 7.08E+06 4.31E+06 4.87E+06 7.44E+06 4.29E+06 4.93E+06 7.77E+06 4.25E+06 4.88E+06 7.23E+06 3.88E+06 3.57E+06 7.68E+06 3.81E+06 3.56E+06 5.79E+06 4.09E+06 4.01E+06 5.45E+06 3.44E+06 3.67E+06 9.49E+06 5.80E+06 6.49E+06 7.07E+06 4.50E+06 2.91E+06 6.42E+06 L-Kynurenine 3.60E+04 2.72E+07 2.58E+07 2.48E+07 2.59E+07 2.47E+07 2.41E+07 2.28E+07 2.28E+07 2.18E+07 2.17E+07 2.29E+07 2.03E+07 2.68E+07 2.40E+07 2.32E+07 2.60E+07 2.46E+07 1.82E+07 2.78E+07 2.89E+07 2.36E+07 2.27E+07 2.29E+07 1.66E+07 2.30E+07 2.24E+07 2.10E+07 2.04E+07 2.21E+07 1.44E+07 2.19E+07 2.03E+07 1.76E+07 2.23E+07 2.28E+07 1.87E+07 2.67E+07 3.22E+07 1.84E+07 2.65E+07 2.76E+07 2.32E+07 1.83E+07 1.60E+07 1.52E+07 2.60E+07 2.70E+07 2.47E+07 2.85E+07 2.49E+07 2.40E+07 2.67E+07 2.82E+07 1.80E+07 2.52E+07 2.44E+07 2.22E+07 1.92E+07 1.98E+07 1.92E+07 1.77E+07 2.01E+07 1.32E+07 2.62E+07 2.68E+07 1.78E+07 Glycochenodeoxycholic acid 9.04E+03 3.87E+07 3.76E+07 3.67E+07 3.63E+07 3.49E+07 3.35E+07 3.27E+07 3.23E+07 3.14E+07 7.34E+07 5.60E+07 2.05E+07 4.75E+07 1.32E+07 2.18E+07 8.22E+07 6.31E+07 1.29E+07 7.90E+07 5.45E+07 1.45E+07 2.66E+07 3.03E+07 6.33E+06 1.42E+07 2.15E+07 7.97E+06 9.50E+07 1.32E+08 2.76E+07 7.72E+07 7.35E+07 3.50E+07 2.07E+07 3.37E+07 2.93E+07 2.27E+07 3.63E+07 7.97E+06 3.11E+07 1.47E+07 1.05E+07 5.96E+07 2.73E+07 9.74E+06 2.22E+07 5.48E+06 3.96E+06 8.99E+07 3.57E+07 9.51E+06 2.38E+07 3.14E+07 1.29E+07 2.28E+07 1.71E+07 1.75E+07 2.11E+07 1.13E+07 5.32E+06 3.31E+07 1.89E+07 2.33E+06 7.26E+07 7.08E+07 2.64E+07 L-Histidine 2.93E+03 3.12E+07 4.25E+07 4.43E+07 4.28E+07 4.34E+07 4.22E+07 4.29E+07 4.10E+07 3.87E+07 6.02E+07 6.96E+07 5.53E+07 2.90E+07 2.28E+07 2.33E+07 5.18E+07 3.55E+07 3.67E+07 2.90E+07 3.69E+07 2.60E+07 4.05E+07 4.08E+07 3.75E+07 3.49E+07 3.64E+07 3.04E+07 5.55E+07 5.27E+07 3.68E+07 5.04E+07 4.29E+07 2.64E+07 5.01E+07 3.35E+07 3.84E+07 5.31E+07 5.45E+07 3.15E+07 4.20E+07 4.53E+07 3.43E+07 4.49E+07 3.86E+07 3.35E+07 3.50E+07 3.67E+07 3.69E+07 4.13E+07 3.44E+07 3.79E+07 4.54E+07 4.87E+07 3.96E+07 4.40E+07 4.31E+07 4.36E+07 4.80E+07 4.21E+07 3.76E+07 4.01E+07 3.61E+07 2.94E+07 4.37E+07 4.51E+07 4.16E+07 L-Valine 4.37E+07 5.95E+08 5.84E+08 5.57E+08 5.73E+08 5.46E+08 4.93E+08 4.61E+08 4.88E+08 4.84E+08 6.76E+08 5.40E+08 5.18E+08 8.73E+08 6.97E+08 6.94E+08 7.20E+08 6.32E+08 5.12E+08 6.57E+08 5.03E+08 5.15E+08 5.61E+08 5.63E+08 4.90E+08 5.06E+08 5.53E+08 5.46E+08 4.70E+08 3.90E+08 3.53E+08 6.29E+08 5.32E+08 4.55E+08 6.05E+08 6.42E+08 5.46E+08 5.10E+08 4.98E+08 4.06E+08 4.21E+08 5.39E+08 5.36E+08 5.73E+08 5.22E+08 5.09E+08 5.44E+08 4.78E+08 5.10E+08 4.77E+08 3.49E+08 4.86E+08 6.08E+08 6.02E+08 5.51E+08 4.92E+08 4.64E+08 4.65E+08 5.39E+08 5.00E+08 5.48E+08 4.56E+08 4.06E+08 3.80E+08 4.03E+08 4.33E+08 3.82E+08 NP-018661 1.22E+04 3.64E+05 3.74E+05 3.59E+05 3.08E+05 3.05E+05 2.93E+05 3.02E+05 2.60E+05 2.49E+05 4.59E+05 9.76E+04 2.22E+05 5.43E+05 2.23E+05 9.64E+05 4.36E+05 2.46E+05 9.53E+05 5.48E+05 3.16E+05 5.70E+05 3.58E+05 2.88E+05 7.49E+05 3.62E+05 2.06E+05 6.35E+05 2.02E+05 1.39E+05 4.96E+05 3.40E+05 2.10E+05 4.15E+05 1.14E+05 1.26E+05 4.61E+05 2.03E+05 1.83E+05 4.87E+05 6.99E+04 1.63E+05 2.85E+05 1.00E+05 2.10E+05 2.19E+05 2.49E+05 2.55E+05 2.24E+05 2.60E+05 2.99E+05 6.83E+05 9.89E+04 1.77E+05 3.02E+05 1.12E+05 1.01E+05 1.24E+05 8.68E+04 8.35E+04 4.20E+05 1.42E+05 2.23E+05 2.79E+05 2.12E+05 2.13E+05 5.42E+05 N6-Acetyl-L-lysine 1.74E+05 4.13E+06 4.53E+06 4.47E+06 4.35E+06 4.27E+06 4.10E+06 3.95E+06 4.05E+06 3.89E+06 3.93E+06 5.95E+06 5.20E+06 4.11E+06 4.41E+06 3.92E+06 5.14E+06 4.85E+06 3.86E+06 3.79E+06 5.37E+06 2.99E+06 4.85E+06 4.86E+06 3.90E+06 4.37E+06 5.24E+06 4.61E+06 4.81E+06 5.51E+06 4.45E+06 4.67E+06 5.24E+06 3.09E+06 4.40E+06 4.87E+06 5.12E+06 4.04E+06 5.48E+06 2.44E+06 3.56E+06 4.01E+06 3.68E+06 3.86E+06 3.67E+06 3.17E+06 4.88E+06 4.96E+06 4.47E+06 3.75E+06 3.40E+06 3.71E+06 2.49E+06 3.01E+06 2.68E+06 3.40E+06 3.36E+06 3.69E+06 3.60E+06 3.33E+06 3.84E+06 3.15E+06 3.26E+06 2.66E+06 4.79E+06 4.53E+06 3.83E+06 LPC 16:0-SN1 1.46E+06 1.54E+09 1.56E+09 1.48E+09 1.52E+09 1.49E+09 1.43E+09 1.31E+09 1.27E+09 1.22E+09 1.32E+09 1.43E+09 1.25E+09 1.45E+09 1.47E+09 1.26E+09 1.35E+09 1.62E+09 1.15E+09 1.47E+09 1.54E+09 1.36E+09 1.31E+09 1.58E+09 1.23E+09 1.36E+09 1.62E+09 1.17E+09 1.49E+09 1.69E+09 1.25E+09 1.44E+09 1.58E+09 1.26E+09 1.46E+09 1.80E+09 1.23E+09 1.70E+09 1.95E+09 1.54E+09 1.52E+09 1.70E+09 1.53E+09 1.64E+09 1.50E+09 1.46E+09 1.16E+09 1.29E+09 1.16E+09 1.24E+09 1.19E+09 1.17E+09 1.37E+09 1.60E+09 1.27E+09 1.47E+09 1.41E+09 1.36E+09 1.53E+09 1.40E+09 1.41E+09 1.59E+09 1.57E+09 1.23E+09 9.95E+08 9.79E+08 7.72E+08 4-METHYL-2-OXO-PENTANOIC ACID 3.64E+05 2.60E+08 2.51E+08 2.37E+08 2.28E+08 2.20E+08 2.14E+08 1.95E+08 2.29E+08 2.15E+08 2.49E+08 3.07E+08 2.37E+08 2.99E+08 3.72E+08 2.48E+08 3.25E+08 2.99E+08 2.46E+08 3.42E+08 2.81E+08 2.47E+08 1.91E+08 3.16E+08 1.91E+08 2.40E+08 3.89E+08 2.29E+08 2.08E+08 2.23E+08 1.92E+08 2.87E+08 3.26E+08 2.47E+08 3.77E+08 3.78E+08 2.67E+08 2.07E+08 1.98E+08 1.39E+08 2.00E+08 1.86E+08 2.63E+08 2.10E+08 1.96E+08 1.86E+08 2.10E+08 1.65E+08 2.39E+08 1.77E+08 1.52E+08 1.83E+08 1.91E+08 1.93E+08 1.62E+08 1.70E+08 1.54E+08 2.04E+08 1.68E+08 1.31E+08 1.43E+08 2.18E+08 2.21E+08 1.51E+08 1.44E+08 1.36E+08 1.43E+08 Prolinamide 2.99E+05 3.36E+06 3.18E+06 3.08E+06 2.92E+06 2.86E+06 2.77E+06 2.72E+06 2.57E+06 2.48E+06 2.91E+06 2.80E+06 2.43E+06 2.44E+06 2.84E+06 2.13E+06 4.00E+06 5.01E+06 3.32E+06 3.72E+06 4.09E+06 3.15E+06 2.54E+06 4.01E+06 2.25E+06 2.31E+06 3.12E+06 2.37E+06 3.44E+06 3.48E+06 3.25E+06 3.28E+06 3.67E+06 2.73E+06 2.90E+06 4.14E+06 2.81E+06 3.39E+06 4.53E+06 3.65E+06 2.63E+06 2.89E+06 2.68E+06 3.15E+06 3.16E+06 2.76E+06 2.20E+06 2.28E+06 2.31E+06 2.06E+06 1.76E+06 2.15E+06 1.95E+06 2.20E+06 1.84E+06 2.67E+06 3.01E+06 2.81E+06 2.10E+06 1.93E+06 2.40E+06 2.29E+06 2.56E+06 1.95E+06 3.13E+06 3.19E+06 2.91E+06 SN-GLYCERO-3-PHOSPHOCHOLINE 9.89E+04 2.43E+07 2.68E+07 2.57E+07 2.62E+07 2.49E+07 2.43E+07 2.15E+07 2.13E+07 2.22E+07 2.84E+07 3.54E+07 2.41E+07 2.90E+07 4.41E+07 2.04E+07 1.93E+07 3.30E+07 4.55E+07 8.79E+06 2.61E+07 9.24E+06 1.53E+07 2.68E+07 1.29E+07 1.18E+07 2.56E+07 1.11E+07 1.19E+07 2.12E+07 1.12E+07 1.78E+07 2.76E+07 7.98E+06 2.54E+07 9.89E+07 2.86E+07 2.62E+07 5.14E+07 8.97E+06 2.31E+07 4.93E+07 2.67E+07 2.05E+07 1.74E+07 1.71E+07 1.13E+07 8.59E+06 8.87E+06 9.03E+06 9.88E+06 9.80E+06 1.04E+07 1.53E+07 7.43E+06 1.22E+07 2.22E+07 1.33E+07 1.39E+07 1.52E+07 1.68E+07 6.73E+07 4.84E+07 3.64E+07 2.14E+07 3.75E+07 2.91E+07 6-Hydroxycaproic acid 2.75E+04 1.03E+06 1.02E+06 9.12E+05 9.03E+05 8.39E+05 7.90E+05 8.08E+05 8.05E+05 7.90E+05 1.16E+06 5.90E+05 6.68E+05 1.53E+06 1.04E+06 1.66E+06 8.84E+05 6.61E+05 1.18E+06 1.21E+06 8.11E+05 1.23E+06 8.82E+05 7.50E+05 1.57E+06 1.26E+06 1.34E+06 2.19E+06 5.41E+05 4.29E+05 9.51E+05 8.19E+05 7.04E+05 1.25E+06 6.30E+05 5.19E+05 8.74E+05 6.99E+05 4.89E+05 7.69E+05 4.59E+05 7.01E+05 1.15E+06 7.76E+05 7.26E+05 9.00E+05 5.88E+05 7.90E+05 8.94E+05 9.76E+05 5.87E+05 1.63E+06 3.90E+05 5.66E+05 8.62E+05 6.58E+05 4.96E+05 4.42E+05 3.94E+05 3.58E+05 1.05E+06 3.87E+05 5.43E+05 7.82E+05 9.00E+05 8.39E+05 1.35E+06 β-Alanine 1.29E+05 2.43E+06 2.89E+06 2.77E+06 2.75E+06 2.72E+06 2.67E+06 2.21E+06 2.56E+06 2.57E+06 2.79E+06 3.68E+06 2.97E+06 2.67E+06 2.48E+06 2.37E+06 3.26E+06 3.31E+06 2.25E+06 2.34E+06 3.27E+06 2.74E+06 2.59E+06 2.99E+06 2.43E+06 3.03E+06 3.06E+06 2.78E+06 2.82E+06 3.21E+06 2.87E+06 3.55E+06 3.51E+06 2.50E+06 2.27E+06 3.26E+06 2.38E+06 2.77E+06 4.06E+06 3.58E+06 2.96E+06 2.91E+06 3.15E+06 2.64E+06 2.52E+06 2.15E+06 2.03E+06 2.43E+06 2.02E+06 2.75E+06 2.45E+06 2.55E+06 2.79E+06 2.95E+06 2.40E+06 2.83E+06 2.79E+06 2.58E+06 2.52E+06 2.69E+06 2.44E+06 2.15E+06 2.13E+06 1.71E+06 2.69E+06 2.46E+06 1.96E+06 Valdecoxib 1.97E+04 9.10E+07 8.46E+07 8.47E+07 7.91E+07 8.82E+07 8.09E+07 7.88E+07 7.99E+07 8.75E+07 7.36E+07 8.56E+07 8.47E+07 8.46E+07 9.56E+07 8.09E+07 8.73E+07 8.99E+07 6.92E+07 8.67E+07 9.34E+07 7.27E+07 9.37E+07 9.64E+07 9.36E+07 9.03E+07 8.45E+07 8.54E+07 8.31E+07 8.80E+07 8.35E+07 8.29E+07 8.04E+07 6.54E+07 8.33E+07 9.35E+07 7.88E+07 7.51E+07 8.00E+07 4.93E+07 8.11E+07 8.01E+07 8.32E+07 7.96E+07 7.96E+07 7.84E+07 9.11E+07 8.01E+07 8.16E+07 9.24E+07 7.67E+07 8.29E+07 8.16E+07 9.65E+07 8.41E+07 8.38E+07 7.92E+07 7.77E+07 8.11E+07 7.82E+07 8.07E+07 8.75E+07 8.44E+07 7.58E+07 8.24E+07 9.50E+07 8.95E+07 Decanoylcarnitine 1.60E+05 2.30E+07 2.19E+07 1.97E+07 2.01E+07 1.86E+07 1.89E+07 1.81E+07 1.61E+07 1.72E+07 1.55E+07 2.65E+06 8.95E+06 1.32E+07 5.61E+06 2.94E+07 1.91E+07 1.02E+07 3.66E+07 1.47E+07 7.27E+06 1.41E+07 2.53E+07 1.38E+07 1.88E+07 3.92E+07 2.03E+07 4.02E+07 5.98E+06 3.39E+06 1.13E+07 2.07E+07 6.19E+06 1.56E+07 6.83E+06 5.72E+06 2.28E+07 1.43E+07 7.69E+06 6.52E+07 3.81E+06 3.05E+07 2.25E+07 3.81E+06 3.03E+07 1.23E+07 2.89E+07 6.33E+07 2.37E+07 6.52E+06 6.66E+06 2.01E+07 6.29E+06 1.10E+07 1.70E+07 3.55E+06 7.67E+06 1.01E+07 9.61E+06 1.50E+07 7.62E+07 6.85E+06 1.51E+07 1.62E+07 3.46E+07 4.01E+07 9.35E+07 Propionylcarnitine 3.22E+06 7.26E+07 6.98E+07 6.60E+07 6.34E+07 6.00E+07 5.62E+07 5.18E+07 5.15E+07 4.94E+07 6.14E+07 5.22E+07 4.11E+07 1.06E+08 9.90E+07 7.48E+07 7.92E+07 1.11E+08 4.63E+07 5.21E+07 5.07E+07 3.38E+07 4.82E+07 4.79E+07 2.67E+07 5.72E+07 6.93E+07 3.92E+07 4.10E+07 4.69E+07 3.12E+07 6.08E+07 6.19E+07 4.61E+07 6.36E+07 8.11E+07 4.94E+07 8.00E+07 1.60E+08 5.73E+07 7.06E+07 8.77E+07 4.93E+07 3.48E+07 3.54E+07 2.30E+07 6.62E+07 8.67E+07 4.89E+07 5.62E+07 4.70E+07 3.78E+07 5.88E+07 7.25E+07 4.21E+07 8.18E+07 9.10E+07 9.05E+07 5.53E+07 5.47E+07 4.61E+07 5.37E+07 4.96E+07 3.31E+07 2.92E+07 2.75E+07 1.96E+07 10-Propoxydecanoic acid 3.84E+05 5.25E+06 5.04E+06 8.09E+06 8.37E+06 1.04E+07 9.38E+06 1.10E+07 1.25E+07 1.27E+07 1.10E+05 2.68E+06 2.49E+05 2.53E+05 3.39E+06 2.27E+05 1.50E+05 2.01E+05 1.60E+05 1.47E+05 2.17E+05 8.70E+04 4.27E+05 1.03E+05 3.57E+05 1.05E+06 5.68E+06 2.69E+05 1.58E+05 1.22E+05 9.24E+04 2.22E+06 9.99E+05 9.92E+04 2.22E+05 1.53E+05 1.22E+05 1.53E+05 2.18E+05 9.32E+04 5.22E+05 8.70E+05 1.92E+06 8.08E+05 1.09E+06 1.04E+06 1.09E+06 4.57E+05 1.26E+06 5.53E+05 1.39E+06 8.83E+05 6.72E+05 5.66E+05 1.61E+06 5.98E+05 8.21E+05 1.67E+06 4.22E+05 3.93E+05 9.53E+05 6.20E+05 6.71E+05 4.51E+05 4.72E+05 2.51E+05 1.93E+05 Mesaconic acid 1.11E+06 9.64E+06 9.38E+06 9.05E+06 8.73E+06 8.13E+06 8.02E+06 8.06E+06 7.55E+06 7.30E+06 8.45E+06 1.06E+07 8.33E+06 9.80E+06 1.06E+07 8.12E+06 1.23E+07 1.33E+07 9.90E+06 9.90E+06 1.01E+07 9.48E+06 7.72E+06 7.80E+06 7.37E+06 7.25E+06 1.02E+07 9.00E+06 9.00E+06 1.07E+07 8.79E+06 8.81E+06 9.71E+06 8.18E+06 7.28E+06 9.50E+06 7.82E+06 6.78E+06 9.77E+06 5.53E+06 9.69E+06 7.24E+06 6.18E+06 8.81E+06 5.90E+06 5.73E+06 5.36E+06 6.99E+06 7.12E+06 6.54E+06 6.09E+06 7.70E+06 5.84E+06 8.00E+06 6.12E+06 8.21E+06 7.59E+06 6.20E+06 6.39E+06 4.77E+06 5.79E+06 5.47E+06 6.04E+06 5.74E+06 7.39E+06 6.98E+06 7.31E+06 trans-Aconitic acid 2.29E+04 1.84E+07 1.77E+07 1.69E+07 1.63E+07 1.49E+07 1.48E+07 1.45E+07 1.35E+07 1.33E+07 1.59E+07 2.00E+07 1.55E+07 1.89E+07 2.04E+07 1.53E+07 2.31E+07 2.55E+07 1.84E+07 1.84E+07 1.86E+07 1.75E+07 1.38E+07 1.42E+07 1.29E+07 1.27E+07 1.90E+07 1.65E+07 1.60E+07 2.00E+07 1.59E+07 1.62E+07 1.82E+07 1.55E+07 1.37E+07 1.83E+07 1.49E+07 1.29E+07 1.86E+07 1.03E+07 1.85E+07 1.34E+07 1.12E+07 1.70E+07 1.11E+07 1.04E+07 9.97E+06 1.32E+07 1.32E+07 1.13E+07 1.06E+07 1.38E+07 9.89E+06 1.43E+07 1.02E+07 1.45E+07 1.33E+07 1.05E+07 1.08E+07 7.38E+06 1.07E+07 9.85E+06 1.13E+07 1.01E+07 1.37E+07 1.31E+07 1.35E+07 2-HYDROXYOCTANOIC ACID 5.29E+03 5.39E+05 5.04E+05 5.06E+05 5.34E+05 4.79E+05 4.48E+05 4.69E+05 4.46E+05 4.45E+05 4.30E+05 7.09E+05 4.53E+05 2.41E+05 3.43E+05 2.31E+05 7.55E+05 1.06E+06 3.34E+05 6.26E+05 8.65E+05 4.18E+05 1.07E+06 1.47E+06 7.15E+05 1.92E+05 3.45E+05 1.70E+05 7.97E+05 1.19E+06 4.45E+05 1.18E+06 1.39E+06 6.63E+05 5.59E+05 7.86E+05 3.99E+05 5.11E+05 7.98E+05 3.46E+05 1.66E+05 2.87E+05 1.70E+05 8.57E+04 1.16E+05 6.31E+04 2.94E+05 3.52E+05 2.22E+05 3.66E+05 3.38E+05 4.60E+05 3.77E+05 4.21E+05 2.60E+05 6.81E+05 5.96E+05 5.60E+05 2.67E+05 2.34E+05 2.74E+05 1.34E+05 1.75E+05 9.61E+04 5.39E+05 5.77E+05 3.54E+05 1,5-ANHYDRO-GLUCITOL 3.88E+04 1.59E+07 1.58E+07 1.52E+07 1.56E+07 1.55E+07 1.49E+07 1.45E+07 1.40E+07 1.40E+07 7.72E+06 4.13E+06 7.76E+06 1.29E+07 8.29E+06 1.32E+07 1.65E+07 1.01E+07 1.46E+07 2.01E+07 1.56E+07 2.16E+07 1.68E+07 1.27E+07 1.74E+07 2.06E+07 1.40E+07 2.11E+07 1.45E+07 1.02E+07 1.35E+07 2.24E+07 1.58E+07 2.30E+07 1.64E+07 1.15E+07 1.66E+07 1.79E+07 1.24E+07 1.90E+07 1.61E+07 1.69E+07 1.85E+07 7.42E+06 6.86E+06 8.53E+06 1.61E+07 1.70E+07 1.89E+07 1.95E+07 1.57E+07 2.01E+07 1.55E+07 1.57E+07 1.55E+07 1.54E+07 1.53E+07 1.66E+07 1.88E+07 1.77E+07 2.06E+07 1.52E+07 1.57E+07 1.42E+07 2.00E+07 1.88E+07 1.86E+07 Ortophosphate 6.23E+05 6.59E+06 4.90E+06 4.95E+06 4.83E+06 4.22E+06 4.40E+06 4.06E+06 4.11E+06 3.72E+06 8.24E+06 5.14E+06 4.16E+06 4.96E+06 5.65E+06 3.72E+06 4.37E+06 7.64E+06 8.04E+06 5.61E+06 4.61E+06 3.66E+06 5.42E+06 5.85E+06 5.12E+06 3.00E+06 5.28E+06 4.23E+06 4.35E+06 5.00E+06 4.12E+06 5.04E+06 5.41E+06 5.51E+06 6.48E+06 7.57E+06 5.91E+06 7.33E+06 9.98E+06 3.54E+06 3.93E+06 5.52E+06 4.49E+06 4.16E+06 4.57E+06 4.52E+06 3.95E+06 4.77E+06 4.74E+06 3.06E+06 3.42E+06 4.50E+06 3.79E+06 4.11E+06 4.29E+06 4.35E+06 5.13E+06 4.33E+06 3.95E+06 4.92E+06 4.65E+06 4.48E+06 4.71E+06 6.77E+06 3.56E+06 4.78E+06 5.57E+06 Hexanoylcarnitine 3.25E+05 2.16E+06 2.19E+06 2.13E+06 1.89E+06 1.80E+06 1.81E+06 1.59E+06 1.60E+06 1.86E+06 1.04E+06 4.39E+05 8.62E+05 1.92E+06 1.08E+06 2.96E+06 1.77E+06 1.10E+06 2.14E+06 9.55E+05 6.87E+05 1.21E+06 1.34E+06 1.10E+06 1.34E+06 2.02E+06 1.43E+06 2.97E+06 7.50E+05 4.85E+05 1.12E+06 1.45E+06 8.55E+05 1.44E+06 8.49E+05 7.78E+05 1.75E+06 1.02E+06 6.28E+05 2.59E+06 1.11E+06 4.00E+06 2.47E+06 5.05E+05 1.60E+06 1.27E+06 2.52E+06 6.11E+06 2.40E+06 6.05E+05 7.21E+05 1.62E+06 7.01E+05 1.21E+06 1.25E+06 7.53E+05 1.04E+06 1.07E+06 9.41E+05 1.80E+06 3.99E+06 9.79E+05 1.64E+06 1.48E+06 5.65E+06 9.75E+06 1.20E+07 Decanoic acid 3.12E+04 2.17E+06 2.24E+06 2.15E+06 2.05E+06 2.02E+06 1.99E+06 2.00E+06 2.01E+06 2.06E+06 5.13E+06 2.01E+06 2.31E+06 7.41E+06 4.57E+06 7.47E+06 5.13E+05 4.63E+05 3.89E+06 5.54E+05 4.24E+05 1.64E+06 4.39E+05 5.13E+05 1.53E+06 2.25E+06 1.77E+06 2.69E+06 4.61E+05 3.05E+05 2.17E+06 4.07E+05 3.11E+05 6.12E+05 2.77E+06 3.11E+06 4.98E+06 3.60E+05 3.32E+05 3.09E+06 1.15E+06 3.08E+06 3.75E+06 1.64E+06 2.87E+06 2.07E+06 1.96E+06 2.57E+06 2.09E+06 2.44E+06 2.59E+06 2.79E+06 2.18E+05 3.19E+05 1.87E+06 4.30E+05 5.98E+05 7.91E+05 3.11E+05 4.53E+05 3.05E+06 3.18E+06 2.12E+06 2.71E+06 3.47E+05 3.97E+05 2.72E+06 12-Hydroxyoctadecanoic acid 5.12E+05 6.95E+06 6.53E+06 5.51E+06 5.62E+06 5.56E+06 5.36E+06 5.48E+06 4.49E+06 5.37E+06 7.58E+06 7.63E+06 6.45E+06 6.64E+06 6.35E+06 7.79E+06 5.99E+06 6.34E+06 1.01E+07 5.64E+06 5.20E+06 7.17E+06 4.26E+06 4.63E+06 5.72E+06 4.69E+06 5.88E+06 7.13E+06 4.08E+06 5.31E+06 4.90E+06 4.80E+06 4.45E+06 6.11E+06 5.84E+06 6.34E+06 8.44E+06 4.22E+06 4.91E+06 6.33E+06 4.48E+06 5.92E+06 7.96E+06 3.94E+06 4.56E+06 4.96E+06 4.96E+06 5.86E+06 4.93E+06 3.41E+06 5.25E+06 7.15E+06 3.92E+06 3.60E+06 5.97E+06 4.27E+06 5.45E+06 4.89E+06 4.11E+06 2.89E+06 8.28E+06 5.95E+06 6.85E+06 7.29E+06 2.87E+06 3.61E+06 5.49E+06 Arachidic Acid 6.26E+05 8.70E+06 8.45E+06 8.09E+06 7.25E+06 7.82E+06 6.71E+06 6.53E+06 6.81E+06 6.17E+06 8.92E+06 1.01E+07 8.28E+06 1.06E+07 1.01E+07 1.26E+07 7.75E+06 8.26E+06 1.37E+07 8.06E+06 7.49E+06 6.63E+06 5.41E+06 5.48E+06 8.96E+06 6.02E+06 7.63E+06 7.47E+06 5.10E+06 6.12E+06 5.08E+06 5.27E+06 4.93E+06 7.70E+06 6.73E+06 7.42E+06 9.18E+06 4.92E+06 5.39E+06 5.98E+06 5.90E+06 7.88E+06 1.17E+07 4.96E+06 5.11E+06 6.67E+06 6.59E+06 8.02E+06 9.74E+06 4.93E+06 6.52E+06 8.90E+06 4.37E+06 4.37E+06 7.63E+06 5.58E+06 8.38E+06 5.73E+06 4.90E+06 4.17E+06 1.28E+07 8.59E+06 1.08E+07 1.41E+07 5.30E+06 4.13E+06 6.20E+06 Glycocholic acid 7.53E+03 9.43E+06 9.28E+06 9.14E+06 8.99E+06 8.82E+06 8.38E+06 8.26E+06 8.00E+06 7.87E+06 2.50E+07 1.51E+07 7.38E+06 9.53E+06 2.67E+06 4.72E+06 1.51E+07 7.86E+06 2.29E+06 1.19E+07 7.24E+06 2.42E+06 8.31E+06 6.83E+06 2.20E+06 3.18E+06 3.14E+06 1.08E+06 4.41E+07 5.82E+07 9.69E+06 1.25E+07 1.33E+07 8.23E+06 4.13E+06 4.12E+06 4.84E+06 3.02E+06 2.28E+06 1.13E+06 3.06E+06 1.18E+06 1.22E+06 8.36E+06 3.48E+06 1.64E+06 6.77E+06 1.45E+06 1.40E+06 4.33E+07 1.99E+07 5.18E+06 6.80E+06 4.62E+06 2.10E+06 4.45E+06 2.67E+06 4.89E+06 4.17E+06 2.04E+06 1.41E+06 1.05E+07 7.86E+06 1.22E+06 9.93E+06 8.59E+06 2.53E+06 (2R)-2,3-Dihydroxypropanoic acid 3.81E+04 4.00E+06 3.73E+06 3.13E+06 3.04E+06 2.80E+06 2.63E+06 2.53E+06 2.46E+06 2.35E+06 4.99E+06 2.84E+06 3.11E+06 3.02E+06 2.35E+06 2.71E+06 2.07E+06 3.26E+06 2.27E+06 3.02E+06 2.21E+06 2.89E+06 2.12E+06 2.25E+06 1.98E+06 2.98E+06 3.06E+06 3.16E+06 1.19E+07 7.29E+06 3.16E+06 2.05E+06 1.96E+06 2.89E+06 4.04E+06 3.24E+06 4.16E+06 2.42E+06 2.70E+06 4.22E+06 3.49E+06 2.91E+06 2.21E+06 2.52E+06 2.02E+06 1.92E+06 5.44E+06 4.49E+06 3.84E+06 1.87E+06 1.54E+06 2.10E+06 1.44E+06 1.76E+06 1.26E+06 1.92E+06 1.87E+06 1.71E+06 1.85E+06 1.78E+06 2.68E+06 2.55E+06 2.83E+06 2.13E+06 2.66E+06 2.56E+06 2.42E+06 (S)-(+)-2-Amino-1-propanol 2.99E+05 1.46E+08 1.41E+08 1.36E+08 1.37E+08 1.33E+08 1.31E+08 1.24E+08 1.24E+08 1.22E+08 1.66E+08 1.54E+08 1.17E+08 1.32E+08 9.45E+07 9.30E+07 1.87E+08 2.18E+08 1.51E+08 7.45E+07 5.55E+07 4.56E+07 2.92E+08 2.95E+08 2.17E+08 1.01E+08 1.28E+08 1.07E+08 1.66E+08 1.68E+08 1.36E+08 1.27E+08 1.48E+08 2.11E+08 3.64E+08 3.71E+08 2.42E+08 1.55E+08 1.91E+08 1.62E+08 6.76E+07 5.61E+07 5.19E+07 4.24E+07 4.84E+07 5.41E+07 2.33E+08 2.55E+08 2.84E+08 9.59E+07 7.07E+07 9.22E+07 1.22E+08 1.25E+08 1.09E+08 8.73E+07 9.81E+07 1.19E+08 2.70E+08 2.50E+08 1.03E+08 1.22E+08 1.14E+08 1.33E+08 4.04E+07 4.04E+07 3.56E+07 1-(4-fluorobenzyl)-4,5-dihydro-1H-1,2,3,4-tetraazole-5-thione 7.46E+03 3.04E+05 1.94E+06 2.49E+06 2.46E+06 2.20E+06 1.77E+06 1.64E+06 1.96E+06 1.61E+06 1.44E+05 1.24E+06 6.36E+05 4.83E+05 7.87E+05 4.98E+05 3.61E+06 1.02E+06 1.52E+06 4.20E+05 4.25E+06 2.01E+06 3.70E+06 3.82E+06 3.12E+06 3.45E+06 4.08E+06 3.68E+06 4.94E+06 4.66E+06 5.14E+06 2.52E+06 1.95E+06 5.08E+04 3.18E+05 7.60E+04 1.78E+05 1.08E+05 6.79E+05 1.01E+04 5.13E+05 7.65E+05 1.02E+06 3.32E+05 3.69E+05 4.81E+05 2.30E+05 2.31E+05 3.83E+05 2.03E+06 2.64E+06 3.73E+06 3.69E+06 3.43E+06 4.09E+06 2.86E+06 3.12E+06 3.60E+06 3.71E+06 4.22E+06 5.01E+05 2.06E+05 1.37E+05 3.49E+05 1.80E+05 1.81E+05 1.63E+05 1-(phenylsulfonyl)-1,2,3,4,6,10b-hexahydropyrimido[2,1-a]isoindol-6-one 2.41E+04 3.74E+06 5.62E+06 8.83E+06 8.92E+06 1.02E+07 1.15E+07 1.19E+07 1.03E+07 1.49E+07 1.49E+06 2.12E+07 1.12E+07 1.16E+07 1.06E+07 9.06E+06 1.10E+07 4.60E+06 1.09E+06 2.23E+06 1.57E+07 2.77E+06 1.55E+07 1.47E+07 8.83E+06 1.62E+07 1.12E+07 7.68E+06 9.84E+06 1.40E+07 1.86E+07 1.23E+07 1.57E+07 1.26E+06 5.49E+05 2.06E+05 1.21E+06 8.04E+05 9.62E+05 3.65E+04 6.61E+06 1.78E+07 4.36E+07 8.25E+06 1.59E+07 1.44E+07 1.48E+07 1.11E+07 1.66E+07 1.96E+07 7.70E+06 1.98E+07 1.19E+07 1.33E+07 1.25E+07 1.70E+07 1.46E+07 1.04E+07 1.04E+07 1.30E+07 7.47E+06 2.87E+05 2.98E+05 2.70E+05 1.46E+06 4.27E+06 3.38E+06 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione 4.95E+05 5.73E+06 5.54E+06 5.50E+06 5.49E+06 5.14E+06 5.09E+06 5.44E+06 5.11E+06 4.56E+06 1.01E+07 9.27E+06 6.82E+06 1.03E+06 6.07E+05 7.82E+05 1.63E+06 1.38E+06 1.07E+06 2.75E+06 2.38E+06 1.53E+06 5.71E+06 5.41E+06 3.88E+06 1.81E+05 1.94E+05 2.26E+05 5.24E+06 5.06E+06 3.52E+06 1.62E+05 1.33E+05 1.91E+05 1.08E+07 9.58E+06 7.62E+06 2.45E+07 2.19E+07 1.82E+07 4.79E+06 5.02E+06 3.24E+06 3.66E+06 2.52E+06 1.84E+06 3.63E+06 3.41E+06 2.27E+06 4.80E+05 1.56E+05 3.87E+05 5.40E+06 4.20E+06 2.85E+06 3.12E+06 2.97E+06 2.11E+06 2.03E+06 1.68E+06 1.58E+06 9.94E+06 9.07E+06 6.87E+06 2.43E+07 2.42E+07 1.78E+07 10-HYDROXYDECANOIC ACID 1.98E+03 3.83E+06 3.68E+06 3.76E+06 3.58E+06 3.43E+06 3.20E+06 3.09E+06 3.09E+06 3.02E+06 9.76E+06 5.94E+06 8.15E+06 7.25E+05 3.85E+05 7.38E+05 1.33E+07 8.36E+06 5.17E+06 8.38E+06 6.21E+06 3.99E+06 5.20E+06 4.63E+06 2.90E+06 3.47E+05 3.93E+05 4.48E+05 5.09E+06 3.51E+06 3.39E+06 3.09E+06 1.48E+06 1.38E+06 6.17E+06 4.48E+06 4.33E+06 7.86E+06 5.73E+06 6.85E+06 4.68E+05 6.95E+05 7.36E+05 2.63E+05 5.83E+05 4.35E+05 8.10E+05 9.93E+05 1.13E+06 2.70E+05 3.05E+05 1.12E+06 9.34E+05 9.06E+05 1.08E+06 4.23E+06 3.85E+06 3.28E+06 5.87E+06 3.51E+06 1.78E+06 6.96E+05 6.62E+05 6.24E+05 7.96E+06 5.67E+06 3.27E+06 1-Aminocyclohexanecarboxylic acid 2.96E+05 4.20E+07 3.86E+07 2.66E+07 3.52E+07 3.37E+07 3.09E+07 2.39E+07 3.08E+07 2.87E+07 1.62E+07 2.07E+07 1.67E+07 8.85E+07 8.25E+07 9.42E+07 1.28E+07 1.71E+07 1.23E+07 5.36E+07 5.97E+07 5.54E+07 1.42E+07 1.61E+07 1.47E+07 1.14E+07 1.38E+07 1.42E+07 4.67E+07 6.52E+07 4.47E+07 6.38E+06 8.42E+06 7.71E+06 8.00E+06 9.83E+06 8.97E+06 9.46E+06 1.13E+07 9.57E+06 1.06E+08 9.27E+07 8.29E+07 6.23E+07 4.59E+07 2.56E+07 4.67E+07 5.43E+07 5.95E+07 3.73E+07 3.29E+07 4.82E+07 5.74E+06 6.80E+06 5.25E+06 1.75E+07 1.93E+07 1.86E+07 9.86E+06 9.07E+06 1.45E+07 2.49E+07 2.73E+07 2.67E+07 7.58E+06 7.55E+06 7.34E+06 1-AMINOCYCLOPROPANECARBOXYLATE 4.04E+05 9.71E+07 9.18E+07 9.01E+07 8.70E+07 8.86E+07 8.78E+07 8.41E+07 8.32E+07 7.97E+07 1.12E+08 9.80E+07 1.04E+08 6.41E+07 4.46E+07 5.59E+07 1.23E+08 9.44E+07 8.87E+07 7.10E+07 6.41E+07 6.48E+07 8.58E+07 7.39E+07 8.21E+07 8.49E+07 7.97E+07 8.30E+07 8.56E+07 6.87E+07 6.62E+07 1.11E+08 9.36E+07 8.03E+07 8.87E+07 7.03E+07 8.39E+07 1.10E+08 8.82E+07 7.97E+07 9.37E+07 9.45E+07 9.52E+07 1.04E+08 9.14E+07 9.05E+07 8.18E+07 9.26E+07 9.49E+07 1.01E+08 7.85E+07 9.07E+07 7.86E+07 8.14E+07 7.08E+07 8.24E+07 7.72E+07 8.48E+07 8.80E+07 8.55E+07 8.29E+07 7.78E+07 7.36E+07 6.03E+07 7.42E+07 7.70E+07 7.72E+07 1-Methylhistidine 4.58E+04 7.32E+07 9.10E+07 9.42E+07 9.56E+07 9.51E+07 8.88E+07 8.91E+07 9.02E+07 9.05E+07 6.34E+07 7.08E+07 6.49E+07 1.31E+08 1.05E+08 1.14E+08 9.26E+07 7.10E+07 7.53E+07 8.21E+07 9.68E+07 7.57E+07 8.56E+07 7.39E+07 6.95E+07 9.43E+07 9.49E+07 1.04E+08 7.91E+07 7.80E+07 7.37E+07 9.64E+07 9.97E+07 7.22E+07 1.11E+08 8.97E+07 9.27E+07 8.62E+07 9.21E+07 5.83E+07 8.77E+07 9.19E+07 8.22E+07 1.25E+08 1.01E+08 9.17E+07 1.13E+08 1.15E+08 1.17E+08 8.38E+07 6.45E+07 7.60E+07 1.22E+08 1.40E+08 9.19E+07 1.11E+08 1.06E+08 1.16E+08 7.61E+07 7.03E+07 8.08E+07 4.95E+07 5.03E+07 5.78E+07 8.44E+07 7.75E+07 7.58E+07 1-Methyluric acid 3.15E+03 8.28E+05 7.79E+05 6.85E+05 6.68E+05 6.99E+05 6.75E+05 6.64E+05 6.25E+05 6.35E+05 9.68E+05 4.08E+05 4.72E+05 2.27E+05 1.53E+05 2.77E+05 3.57E+05 2.57E+05 3.07E+05 5.03E+05 2.83E+05 6.16E+05 8.88E+05 5.33E+05 6.39E+05 3.67E+04 2.20E+04 4.44E+04 7.82E+05 5.49E+05 5.58E+05 3.14E+04 2.32E+04 4.05E+04 9.84E+05 8.66E+05 1.04E+06 2.16E+06 1.47E+06 3.42E+06 9.10E+05 1.23E+06 8.42E+05 1.12E+06 1.22E+06 6.53E+05 4.10E+05 4.06E+05 3.12E+05 2.36E+05 2.35E+05 2.85E+05 8.45E+05 7.43E+05 5.20E+05 8.53E+05 9.06E+05 7.31E+05 3.51E+05 3.26E+05 5.98E+05 3.36E+05 3.96E+05 3.37E+05 2.27E+06 2.69E+06 2.71E+06 1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine 2.02E+03 1.01E+07 1.02E+07 9.95E+06 9.81E+06 8.66E+06 9.41E+06 8.63E+06 8.21E+06 8.15E+06 8.61E+06 9.45E+06 9.67E+06 8.39E+06 8.04E+06 8.71E+06 1.02E+07 1.07E+07 8.34E+06 9.75E+06 9.55E+06 8.35E+06 8.96E+06 1.07E+07 8.75E+06 7.84E+06 8.74E+06 7.51E+06 9.51E+06 9.76E+06 7.94E+06 1.04E+07 1.03E+07 8.28E+06 1.03E+07 1.16E+07 9.93E+06 1.13E+07 1.25E+07 1.00E+07 1.02E+07 1.12E+07 1.02E+07 1.11E+07 9.76E+06 9.32E+06 8.01E+06 7.54E+06 7.19E+06 8.26E+06 7.79E+06 7.72E+06 9.09E+06 9.91E+06 7.63E+06 9.34E+06 8.74E+06 8.29E+06 1.01E+07 1.11E+07 9.86E+06 1.17E+07 1.13E+07 8.59E+06 6.45E+06 6.33E+06 5.06E+06 1-Stearoylglycerol 4.12E+04 1.63E+07 1.71E+07 1.48E+07 1.50E+07 1.87E+07 1.79E+07 1.45E+07 1.66E+07 1.60E+07 1.25E+07 1.65E+07 1.56E+07 1.47E+07 1.07E+07 1.19E+07 1.57E+07 1.26E+07 2.65E+07 1.31E+07 1.10E+07 1.14E+07 1.50E+07 1.26E+07 1.40E+07 1.52E+07 1.91E+07 1.48E+07 1.44E+07 2.31E+07 1.49E+07 1.53E+07 1.21E+07 1.33E+07 1.49E+07 1.37E+07 1.61E+07 1.64E+07 1.56E+07 1.59E+07 1.21E+07 1.62E+07 1.65E+07 1.40E+07 1.60E+07 1.29E+07 1.21E+07 1.29E+07 1.26E+07 1.28E+07 1.81E+07 1.79E+07 1.29E+07 1.23E+07 1.49E+07 1.46E+07 2.25E+07 1.23E+07 1.36E+07 1.39E+07 2.30E+07 1.32E+07 1.55E+07 1.56E+07 1.82E+07 1.10E+07 1.36E+07 1-Stearoyl-sn-glycero-3-phosphocholine 2.93E+05 6.23E+08 6.24E+08 6.14E+08 5.82E+08 6.06E+08 5.62E+08 5.49E+08 5.36E+08 5.29E+08 6.36E+08 6.72E+08 6.54E+08 5.33E+08 5.23E+08 5.19E+08 7.25E+08 7.23E+08 6.32E+08 5.78E+08 6.06E+08 6.07E+08 4.74E+08 4.82E+08 4.72E+08 4.94E+08 4.98E+08 4.27E+08 5.61E+08 5.84E+08 4.93E+08 6.12E+08 6.71E+08 6.21E+08 4.82E+08 5.14E+08 4.57E+08 6.24E+08 6.33E+08 5.77E+08 6.26E+08 7.05E+08 6.48E+08 7.00E+08 6.61E+08 6.52E+08 4.74E+08 4.92E+08 4.69E+08 4.97E+08 4.63E+08 5.13E+08 6.72E+08 7.06E+08 6.00E+08 5.48E+08 5.26E+08 5.37E+08 6.57E+08 8.06E+08 6.50E+08 6.90E+08 7.12E+08 5.69E+08 3.36E+08 3.13E+08 2.94E+08 2-(1H-indol-3-yl)acetic acid 2.68E+04 1.19E+06 1.20E+06 1.03E+06 9.60E+05 9.41E+05 1.14E+06 7.90E+05 7.51E+05 7.20E+05 1.90E+06 1.54E+06 1.59E+06 6.22E+05 3.76E+05 5.64E+05 1.89E+06 1.82E+06 1.22E+06 9.21E+05 7.72E+05 6.82E+05 1.47E+06 1.38E+06 1.09E+06 1.06E+06 1.24E+06 8.98E+05 1.58E+06 1.40E+06 8.15E+05 1.51E+06 1.58E+06 1.32E+06 1.86E+06 2.12E+06 1.76E+06 1.61E+06 1.57E+06 1.43E+06 4.83E+05 7.10E+05 6.38E+05 4.84E+05 4.64E+05 4.04E+05 1.52E+06 1.30E+06 1.26E+06 1.99E+06 1.66E+06 1.59E+06 1.18E+06 1.28E+06 8.79E+05 1.16E+06 1.11E+06 8.07E+05 9.30E+05 7.73E+05 1.12E+06 1.06E+06 9.82E+05 6.35E+05 1.18E+06 1.29E+06 9.13E+05 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 1.73E+07 1.89E+08 7.33E+07 1.61E+08 1.80E+08 3.18E+08 1.92E+08 3.07E+08 3.32E+08 3.60E+08 3.26E+06 2.88E+06 3.16E+06 2.26E+06 2.03E+06 1.79E+06 3.14E+06 1.75E+06 1.74E+06 3.39E+06 3.63E+06 1.86E+06 1.49E+06 1.94E+06 2.35E+06 2.58E+06 2.55E+06 3.19E+06 2.23E+06 2.97E+06 2.84E+06 2.72E+06 1.87E+06 2.76E+06 2.02E+06 3.37E+06 1.81E+06 2.42E+06 4.80E+06 1.88E+06 2.91E+06 2.17E+06 2.26E+06 3.06E+06 1.85E+06 3.59E+06 4.98E+06 1.75E+06 3.20E+06 2.15E+06 2.40E+06 2.33E+06 1.93E+06 3.92E+06 2.53E+06 4.39E+06 2.39E+06 6.25E+06 4.71E+06 2.23E+06 2.07E+06 2.77E+06 3.78E+06 4.15E+06 3.95E+06 3.85E+06 3.32E+06 2,5-dihydroxybenzenesulfonate 3.51E+03 3.19E+07 3.30E+07 3.01E+07 2.86E+07 2.76E+07 2.57E+07 2.46E+07 2.49E+07 2.35E+07 4.62E+07 4.13E+07 2.87E+07 2.05E+07 1.84E+07 1.47E+07 1.64E+07 2.15E+07 1.74E+07 2.36E+07 2.02E+07 1.34E+07 1.16E+08 1.38E+08 9.73E+07 1.84E+07 3.02E+07 2.33E+07 5.61E+07 5.97E+07 3.80E+07 2.02E+07 2.24E+07 1.67E+07 3.38E+07 4.51E+07 2.58E+07 2.01E+07 2.54E+07 1.72E+07 1.32E+07 1.09E+07 9.70E+06 9.58E+06 7.06E+06 8.14E+06 2.50E+07 2.12E+07 1.71E+07 1.18E+07 8.77E+06 1.01E+07 1.55E+07 1.63E+07 8.72E+06 3.87E+07 4.42E+07 4.41E+07 1.91E+07 1.59E+07 1.32E+07 2.24E+07 2.08E+07 1.25E+07 2.49E+07 2.26E+07 1.67E+07 2-Aminoadipic acid 4.00E+05 4.93E+06 6.66E+06 6.30E+06 5.78E+06 5.19E+06 4.33E+06 4.11E+06 4.79E+06 3.93E+06 7.41E+06 8.44E+06 7.39E+06 1.10E+07 1.00E+07 6.94E+06 5.57E+06 7.07E+06 3.41E+06 5.47E+06 4.29E+06 5.70E+06 4.04E+06 5.22E+06 3.14E+06 4.22E+06 6.34E+06 4.08E+06 3.30E+06 5.61E+06 4.23E+06 5.28E+06 5.64E+06 4.45E+06 4.62E+06 1.09E+07 6.60E+06 3.93E+06 9.07E+06 7.14E+06 4.24E+06 6.30E+06 3.62E+06 3.24E+06 4.52E+06 2.56E+06 3.63E+06 5.34E+06 3.16E+06 5.38E+06 4.58E+06 6.46E+06 3.88E+06 3.38E+06 3.68E+06 4.41E+06 5.22E+06 5.02E+06 2.79E+06 4.60E+06 4.76E+06 3.37E+06 3.60E+06 3.79E+06 5.88E+06 3.76E+06 3.82E+06 2-Ethylhexanoic acid 5.80E+04 9.41E+05 8.11E+05 9.02E+05 9.74E+05 8.95E+05 8.82E+05 9.44E+05 9.53E+05 9.24E+05 2.43E+06 1.14E+06 1.04E+06 3.47E+06 1.64E+06 1.42E+06 4.26E+05 2.91E+05 6.43E+05 4.84E+05 4.19E+05 5.50E+05 4.63E+05 4.53E+05 7.11E+05 7.44E+05 6.40E+05 7.45E+05 5.85E+05 4.64E+05 6.92E+05 4.25E+05 3.19E+05 3.91E+05 1.36E+06 1.11E+06 6.91E+05 3.72E+05 2.86E+05 7.78E+05 6.83E+05 1.04E+06 7.23E+05 1.09E+06 1.02E+06 5.33E+05 6.84E+05 9.55E+05 6.31E+05 1.34E+06 1.07E+06 7.61E+05 2.93E+05 3.55E+05 5.81E+05 5.19E+05 5.30E+05 4.83E+05 3.38E+05 3.57E+05 7.92E+05 9.36E+05 8.15E+05 5.78E+05 8.22E+05 1.16E+06 2.35E+06 2-Hydroxypyridine sulfate 3.23E+03 1.10E+06 1.04E+06 9.54E+05 8.84E+05 8.44E+05 7.60E+05 7.18E+05 7.38E+05 6.87E+05 1.38E+06 1.28E+06 9.25E+05 2.59E+05 2.11E+05 1.46E+05 4.50E+05 5.36E+05 2.30E+05 6.64E+05 6.04E+05 2.95E+05 1.32E+06 1.25E+06 7.36E+05 1.45E+04 2.23E+04 1.09E+04 3.09E+06 3.85E+06 2.03E+06 2.84E+05 2.37E+05 7.45E+04 1.04E+06 1.50E+06 6.30E+05 1.49E+06 2.02E+06 9.45E+05 1.40E+06 8.87E+05 5.29E+05 6.99E+05 4.63E+05 3.31E+05 6.01E+05 4.65E+05 4.23E+05 1.70E+06 9.63E+05 3.23E+05 1.04E+06 1.19E+06 4.44E+05 7.44E+05 6.09E+05 4.75E+05 6.35E+05 4.44E+05 3.43E+05 8.78E+05 4.29E+05 1.15E+05 3.11E+06 2.49E+06 7.84E+05 2-Methoxyphenol sulfate 2.15E+03 1.81E+06 1.61E+06 1.72E+06 1.43E+06 1.50E+06 1.29E+06 1.31E+06 1.31E+06 1.16E+06 2.32E+06 2.50E+06 1.36E+06 1.09E+06 1.29E+06 1.01E+06 6.46E+05 1.21E+06 1.03E+06 9.12E+05 7.38E+05 4.30E+05 6.19E+06 8.26E+06 5.99E+06 5.78E+05 1.40E+06 1.28E+06 2.93E+06 3.68E+06 2.13E+06 9.47E+05 1.28E+06 8.80E+05 2.55E+06 4.25E+06 2.82E+06 8.75E+05 1.34E+06 6.96E+05 8.16E+05 5.68E+05 4.89E+05 2.11E+05 2.13E+05 1.82E+05 1.37E+06 1.37E+06 8.29E+05 3.26E+05 2.64E+05 2.63E+05 8.09E+05 1.15E+06 3.45E+05 1.72E+06 2.08E+06 2.19E+06 5.07E+05 6.54E+05 8.14E+05 9.30E+05 1.26E+06 4.49E+05 1.57E+06 1.50E+06 1.19E+06 2-Oxindole 3.16E+04 2.63E+06 2.83E+06 2.68E+06 2.69E+06 2.86E+06 2.91E+06 2.71E+06 2.68E+06 2.63E+06 3.01E+06 3.88E+06 2.80E+06 1.97E+06 2.04E+06 2.09E+06 3.33E+06 4.39E+06 2.51E+06 1.69E+06 1.88E+06 1.32E+06 2.42E+06 2.12E+06 1.03E+06 2.19E+06 2.19E+06 1.18E+06 3.90E+06 4.02E+06 2.44E+06 1.12E+06 1.28E+06 9.83E+05 8.08E+06 1.03E+07 5.90E+06 4.73E+06 6.35E+06 3.71E+06 4.39E+06 4.03E+06 2.13E+06 2.76E+06 2.58E+06 2.05E+06 4.64E+06 4.65E+06 3.83E+06 1.32E+06 1.04E+06 8.92E+05 4.30E+06 4.50E+06 2.34E+06 1.49E+06 1.41E+06 8.71E+05 2.50E+06 2.42E+06 3.12E+06 1.29E+06 1.09E+06 6.35E+05 7.93E+05 9.70E+05 8.01E+05 2-Oxoglutaric acid 1.13E+05 9.26E+06 9.85E+06 9.43E+06 8.97E+06 8.74E+06 8.34E+06 8.06E+06 7.84E+06 7.22E+06 7.45E+06 9.25E+06 8.04E+06 7.87E+06 9.46E+06 7.57E+06 9.82E+06 7.57E+06 9.67E+06 1.16E+07 1.36E+07 9.69E+06 7.18E+06 1.03E+07 7.82E+06 8.27E+06 1.25E+07 9.97E+06 7.96E+06 1.06E+07 8.05E+06 9.61E+06 1.09E+07 8.75E+06 1.02E+07 1.02E+07 1.12E+07 9.23E+06 1.19E+07 7.17E+06 1.03E+07 9.05E+06 1.00E+07 9.17E+06 7.67E+06 8.15E+06 5.34E+06 7.37E+06 7.77E+06 6.60E+06 6.93E+06 8.41E+06 8.46E+06 7.97E+06 6.67E+06 7.09E+06 6.79E+06 7.80E+06 5.69E+06 5.46E+06 6.40E+06 7.56E+06 9.79E+06 8.35E+06 8.95E+06 8.21E+06 7.32E+06 3-Aminobenzamide 4.96E+05 5.56E+06 5.83E+06 5.30E+06 5.12E+06 5.07E+06 4.82E+06 4.46E+06 4.51E+06 4.39E+06 2.38E+06 2.91E+06 3.36E+06 3.48E+06 6.32E+06 8.95E+06 4.40E+06 8.14E+06 8.68E+06 2.57E+06 2.96E+06 3.68E+06 3.08E+06 5.91E+06 4.34E+06 4.65E+06 8.10E+06 4.91E+06 1.17E+06 1.71E+06 1.52E+06 1.52E+06 3.48E+06 2.38E+06 3.55E+06 5.41E+06 3.42E+06 5.36E+06 1.26E+07 1.12E+07 4.54E+06 6.62E+06 1.37E+07 1.36E+06 7.49E+06 6.61E+06 2.21E+06 2.39E+06 5.41E+06 4.22E+06 2.22E+06 6.86E+06 4.75E+06 3.42E+06 1.33E+07 3.70E+06 3.25E+06 5.71E+06 5.58E+06 3.80E+06 4.99E+06 1.81E+06 1.80E+06 2.91E+06 1.63E+06 1.74E+06 2.56E+06 3-Hydroxy-2-methyl-4-pyrone sulfate 2.01E+03 2.27E+06 2.17E+06 1.99E+06 1.91E+06 1.83E+06 1.66E+06 1.67E+06 1.59E+06 1.62E+06 3.42E+06 2.55E+06 1.21E+06 8.67E+05 5.79E+05 2.87E+05 2.15E+07 1.76E+07 6.91E+06 1.08E+06 8.27E+05 5.14E+05 8.04E+05 5.92E+05 2.05E+05 5.85E+05 7.79E+05 6.30E+05 1.05E+06 8.29E+05 2.91E+05 3.15E+06 2.83E+06 2.21E+06 3.11E+05 3.75E+05 1.59E+05 3.82E+05 3.41E+05 1.72E+05 6.72E+05 4.14E+05 8.78E+05 5.36E+05 3.04E+05 1.78E+06 6.16E+05 3.15E+05 1.37E+05 9.14E+05 6.35E+05 9.92E+05 2.45E+06 2.28E+06 6.24E+05 2.04E+05 1.61E+05 8.81E+04 8.78E+05 3.94E+05 2.53E+05 3.74E+06 2.47E+06 6.86E+05 4.77E+06 4.27E+06 3.39E+06 3-Hydroxyphenylacetic acid 7.99E+03 1.17E+06 1.09E+06 1.09E+06 1.02E+06 1.01E+06 9.82E+05 9.00E+05 9.78E+05 8.29E+05 5.62E+05 5.83E+05 5.45E+05 7.38E+05 7.05E+05 8.00E+05 8.39E+05 9.93E+05 5.33E+05 1.16E+06 1.35E+06 7.47E+05 2.58E+06 2.61E+06 1.76E+06 1.16E+06 1.37E+06 8.65E+05 1.42E+06 1.53E+06 1.00E+06 1.11E+06 1.19E+06 8.97E+05 1.10E+06 1.33E+06 8.80E+05 1.06E+06 1.35E+06 1.20E+06 8.16E+05 1.03E+06 8.42E+05 1.08E+06 9.78E+05 7.62E+05 9.83E+05 9.24E+05 1.00E+06 7.04E+05 5.94E+05 7.24E+05 6.09E+05 7.84E+05 4.21E+05 8.05E+05 8.83E+05 6.88E+05 5.79E+05 5.48E+05 1.45E+06 9.25E+05 8.75E+05 6.72E+05 7.72E+05 8.05E+05 5.07E+05 3-Hydroxypyridine 5.19E+05 1.55E+06 1.28E+06 1.33E+06 1.23E+06 1.40E+06 1.33E+06 1.27E+06 1.20E+06 1.25E+06 2.44E+06 2.29E+06 2.15E+06 4.86E+05 3.89E+05 4.32E+05 1.36E+06 1.36E+06 1.40E+06 9.00E+05 6.66E+05 8.03E+05 1.48E+06 1.49E+06 1.30E+06 2.75E+05 3.28E+05 3.04E+05 1.69E+06 1.50E+06 1.50E+06 3.53E+05 3.45E+05 3.09E+05 7.27E+05 1.13E+06 1.00E+06 9.34E+05 9.49E+05 8.62E+05 2.74E+06 3.04E+06 3.84E+06 4.94E+06 4.09E+06 3.93E+06 7.38E+05 8.14E+05 5.10E+05 7.80E+05 1.07E+05 3.91E+05 2.05E+06 1.97E+06 2.30E+06 5.74E+05 5.82E+05 5.65E+05 2.70E+06 3.61E+06 2.04E+06 7.21E+05 6.77E+05 5.08E+05 1.18E+06 1.07E+06 8.56E+05 3-Hydroxyvaleric acid 7.37E+04 2.35E+06 2.64E+06 2.41E+06 2.33E+06 2.35E+06 2.20E+06 1.91E+06 2.15E+06 1.99E+06 1.85E+06 1.49E+06 1.56E+06 3.49E+06 3.02E+06 3.92E+06 2.13E+06 1.78E+06 2.04E+06 2.81E+06 2.44E+06 2.93E+06 2.54E+06 2.18E+06 2.64E+06 3.16E+06 3.16E+06 3.52E+06 1.86E+06 1.51E+06 1.98E+06 3.51E+06 2.82E+06 3.32E+06 3.23E+06 2.58E+06 3.65E+06 2.12E+06 1.58E+06 1.81E+06 1.80E+06 2.19E+06 1.67E+06 2.91E+06 2.71E+06 2.91E+06 2.52E+06 2.38E+06 2.49E+06 2.92E+06 2.66E+06 2.50E+06 1.97E+06 2.29E+06 1.84E+06 1.66E+06 1.68E+06 1.82E+06 1.22E+06 1.30E+06 1.79E+06 1.67E+06 1.67E+06 1.53E+06 2.26E+06 1.95E+06 1.83E+06 3-Indoxyl sulphate 4.31E+03 6.62E+05 5.45E+05 5.03E+05 4.81E+05 4.62E+05 4.20E+05 1.26E+05 4.07E+05 4.24E+05 5.44E+05 6.44E+05 4.94E+05 3.21E+05 3.71E+05 3.47E+05 6.80E+05 9.10E+05 4.69E+05 3.62E+05 3.55E+05 2.66E+05 4.93E+05 5.15E+05 2.71E+05 2.94E+05 2.67E+05 2.37E+05 7.47E+05 8.76E+05 5.66E+05 2.22E+05 2.44E+05 1.70E+05 1.36E+06 2.09E+06 1.25E+06 6.51E+05 1.07E+06 8.49E+05 5.98E+05 6.91E+05 3.52E+05 5.77E+05 4.96E+05 4.21E+05 8.85E+05 8.66E+05 6.14E+05 1.79E+05 1.41E+05 1.40E+05 7.64E+05 8.06E+05 4.35E+05 1.05E+05 1.58E+05 1.20E+05 3.01E+05 3.09E+05 5.04E+05 1.65E+05 7.83E+04 7.51E+04 8.89E+04 1.17E+05 1.04E+05 3-Methylhistidine 5.81E+04 3.78E+08 4.31E+08 4.57E+08 4.39E+08 4.16E+08 3.90E+08 3.73E+08 3.73E+08 3.52E+08 3.22E+08 3.46E+08 3.40E+08 1.19E+09 1.04E+09 1.08E+09 5.05E+08 3.35E+08 3.55E+08 2.63E+08 3.20E+08 2.00E+08 3.55E+08 3.09E+08 2.91E+08 5.02E+08 5.05E+08 4.69E+08 1.75E+07 1.66E+07 1.53E+07 3.91E+08 3.05E+08 1.71E+08 1.81E+08 1.17E+08 1.53E+08 5.21E+08 4.73E+08 2.43E+08 3.75E+08 3.96E+08 3.38E+08 5.79E+08 4.58E+08 4.39E+08 5.36E+08 5.32E+08 5.12E+08 2.88E+08 2.59E+08 2.42E+08 5.15E+08 5.37E+08 4.24E+08 4.95E+08 4.90E+08 4.50E+08 2.63E+08 2.11E+08 4.70E+08 5.53E+07 5.32E+07 4.03E+07 2.26E+07 2.05E+07 2.00E+07 3-Methylpyrazole 2.03E+06 1.55E+07 1.59E+07 1.57E+07 1.55E+07 1.46E+07 1.46E+07 1.44E+07 1.41E+07 1.45E+07 1.05E+07 9.70E+06 1.03E+07 2.42E+07 2.02E+07 2.61E+07 1.60E+07 1.46E+07 1.24E+07 1.42E+07 1.46E+07 1.53E+07 1.40E+07 1.33E+07 1.42E+07 1.40E+07 1.46E+07 1.58E+07 1.02E+07 1.04E+07 9.32E+06 8.61E+06 7.24E+06 7.49E+06 1.70E+07 1.75E+07 1.77E+07 9.27E+06 9.09E+06 9.06E+06 1.60E+07 1.92E+07 1.85E+07 1.30E+07 1.32E+07 1.53E+07 8.88E+06 9.80E+06 1.08E+07 1.74E+07 1.62E+07 1.89E+07 1.26E+07 1.34E+07 1.25E+07 1.19E+07 1.22E+07 1.30E+07 1.52E+07 1.47E+07 1.80E+07 1.33E+07 1.45E+07 1.35E+07 2.48E+07 2.49E+07 2.34E+07 4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile 2.61E+04 1.62E+06 1.46E+06 1.47E+06 1.35E+06 1.33E+06 1.18E+06 1.14E+06 1.18E+06 1.14E+06 1.06E+06 1.03E+06 1.01E+06 8.23E+05 8.81E+05 8.81E+05 1.12E+06 1.40E+06 1.08E+06 3.87E+06 3.91E+06 3.99E+06 9.95E+05 9.49E+05 7.92E+05 6.16E+05 7.53E+05 6.56E+05 6.53E+05 6.23E+05 5.76E+05 4.04E+05 4.23E+05 4.63E+05 1.14E+06 1.41E+06 1.27E+06 8.08E+05 1.04E+06 9.84E+05 1.30E+06 1.50E+06 1.39E+06 8.69E+05 8.88E+05 7.51E+05 4.23E+05 4.13E+05 4.51E+05 1.03E+06 8.27E+05 9.15E+05 5.18E+06 5.63E+06 5.32E+06 2.00E+06 1.97E+06 2.14E+06 4.83E+05 4.46E+05 5.06E+05 7.35E+05 7.53E+05 5.86E+05 1.93E+05 1.51E+05 1.50E+05 4-Acetamidobutanoic acid 6.50E+05 3.57E+06 4.04E+06 3.69E+06 3.77E+06 3.24E+06 2.93E+06 2.68E+06 2.82E+06 2.60E+06 2.43E+06 3.12E+06 3.48E+06 3.23E+06 4.37E+06 4.96E+06 2.41E+06 2.98E+06 2.44E+06 2.25E+06 3.61E+06 3.39E+06 2.63E+06 3.06E+06 2.58E+06 6.09E+06 2.12E+06 2.69E+06 2.94E+06 3.28E+06 2.97E+06 2.81E+06 3.07E+06 3.23E+06 2.86E+06 3.56E+06 4.30E+06 3.55E+06 4.18E+06 3.40E+06 3.91E+06 5.91E+06 4.80E+06 2.17E+06 3.13E+06 2.87E+06 2.34E+06 2.58E+06 3.28E+06 2.57E+06 1.51E+06 2.91E+06 1.71E+06 2.31E+06 1.61E+06 3.11E+06 2.65E+06 3.41E+06 2.67E+06 2.13E+06 3.94E+06 2.52E+06 2.90E+06 2.50E+06 3.96E+06 3.65E+06 3.65E+06 4-Indolecarbaldehyde 2.03E+03 5.21E+05 7.18E+05 9.91E+05 1.19E+06 1.26E+06 1.29E+06 1.40E+06 1.42E+06 1.40E+06 3.72E+05 8.28E+05 7.04E+05 8.56E+05 9.88E+05 8.36E+05 5.51E+05 7.43E+05 6.77E+05 4.62E+05 1.13E+06 4.26E+05 1.23E+06 5.48E+05 7.40E+05 9.76E+05 1.19E+06 6.40E+05 3.29E+05 1.03E+05 2.25E+05 6.32E+05 1.18E+06 3.78E+05 5.54E+05 5.97E+05 5.20E+05 1.48E+06 1.87E+06 5.53E+05 1.31E+06 1.74E+06 1.33E+06 1.10E+06 1.23E+06 1.04E+06 1.08E+06 1.06E+06 9.74E+05 8.24E+05 5.45E+05 5.55E+05 1.75E+06 1.45E+06 1.30E+06 1.04E+06 1.18E+06 1.21E+06 9.07E+05 8.43E+05 9.86E+05 7.15E+05 8.12E+05 4.37E+05 9.64E+05 1.22E+06 6.82E+05 4-Methoxyphenol sulfate 3.73E+03 2.99E+05 3.23E+05 3.16E+05 3.74E+05 2.54E+05 1.12E+05 2.23E+05 2.10E+05 2.10E+05 1.50E+05 1.43E+05 1.79E+05 1.14E+06 9.17E+05 1.02E+06 1.96E+05 2.23E+05 1.10E+05 9.04E+04 1.40E+05 6.11E+04 1.57E+05 2.35E+05 2.25E+05 3.00E+04 4.16E+04 3.78E+04 5.71E+05 6.37E+05 3.58E+05 4.82E+04 8.61E+04 9.10E+04 1.66E+05 1.47E+05 1.16E+05 1.82E+05 2.95E+05 1.45E+05 5.64E+05 7.26E+05 5.54E+05 5.99E+04 6.31E+04 6.62E+04 1.36E+05 1.49E+05 9.44E+04 9.43E+04 4.54E+04 4.98E+04 1.40E+05 1.31E+05 7.99E+04 9.78E+05 1.00E+06 1.31E+06 6.16E+04 1.05E+05 8.29E+04 2.83E+05 3.89E+05 3.72E+05 6.87E+04 1.12E+05 3.34E+04 4-Pyridoxic acid 2.20E+03 1.06E+06 1.11E+06 1.07E+06 1.00E+06 9.42E+05 8.32E+05 8.31E+05 8.31E+05 7.91E+05 6.21E+05 6.05E+05 4.09E+05 1.01E+06 1.19E+06 8.75E+05 4.49E+06 1.16E+07 5.70E+06 5.68E+05 7.38E+05 5.75E+05 3.59E+05 5.30E+05 3.12E+05 6.86E+05 1.20E+06 6.54E+05 5.01E+05 9.16E+05 4.39E+05 4.40E+05 7.45E+05 4.43E+05 4.18E+05 1.28E+06 4.65E+05 4.07E+05 8.72E+05 3.53E+05 5.07E+05 1.00E+06 7.42E+05 2.24E+05 5.53E+05 2.61E+05 8.79E+05 8.99E+05 7.62E+05 4.69E+05 5.60E+05 6.54E+05 4.59E+05 5.47E+05 3.85E+05 6.13E+05 6.49E+05 5.41E+05 6.56E+05 9.90E+05 1.30E+06 4.95E+05 7.08E+05 3.34E+05 2.64E+05 4.18E+05 2.70E+05 4-QUINOLINECARBOXYLIC ACID 2.62E+04 1.14E+06 1.05E+06 1.10E+06 1.05E+06 1.01E+06 9.98E+05 9.28E+05 8.69E+05 8.65E+05 1.16E+06 1.43E+06 1.10E+06 8.52E+05 8.28E+05 8.09E+05 2.24E+06 2.70E+06 1.85E+06 1.39E+06 1.26E+06 9.56E+05 1.26E+06 1.45E+06 1.15E+06 6.50E+05 7.90E+05 7.28E+05 1.60E+06 1.85E+06 1.36E+06 1.94E+06 2.57E+06 2.42E+06 5.31E+05 8.80E+05 8.90E+05 7.28E+05 1.27E+06 9.39E+05 6.41E+05 7.73E+05 5.82E+05 9.75E+05 9.17E+05 7.59E+05 1.43E+06 1.67E+06 1.25E+06 4.51E+05 3.56E+05 4.23E+05 3.76E+05 4.85E+05 3.17E+05 8.23E+05 8.36E+05 9.20E+05 5.26E+05 5.62E+05 1.44E+06 5.30E+05 6.71E+05 5.29E+05 6.76E+05 6.42E+05 6.34E+05 5,5-Dimethylhydantoin 9.06E+03 8.92E+06 8.88E+06 8.57E+06 8.34E+06 8.03E+06 7.66E+06 7.16E+06 7.12E+06 7.06E+06 1.04E+07 7.38E+06 9.48E+06 6.80E+06 6.24E+06 7.12E+06 9.91E+06 9.29E+06 9.79E+06 8.77E+06 8.17E+06 9.23E+06 8.04E+06 8.15E+06 9.37E+06 7.57E+06 9.10E+06 9.35E+06 9.68E+06 8.99E+06 9.52E+06 8.03E+06 7.04E+06 8.26E+06 9.37E+06 8.68E+06 1.01E+07 8.53E+06 8.18E+06 8.94E+06 6.16E+06 6.53E+06 6.02E+06 7.34E+06 7.04E+06 6.84E+06 6.01E+06 6.95E+06 7.38E+06 8.61E+06 6.95E+06 8.46E+06 7.31E+06 6.79E+06 7.29E+06 6.85E+06 7.12E+06 7.44E+06 7.19E+06 6.43E+06 6.81E+06 7.26E+06 7.53E+06 6.75E+06 8.85E+06 8.05E+06 8.33E+06 5-[4-(phenylsulfonyl)phenyl]-1H-pyrazole 5.96E+04 5.33E+06 4.98E+06 5.96E+06 7.90E+06 8.95E+06 5.78E+06 7.71E+06 8.42E+06 2.69E+06 3.32E+06 1.22E+07 6.23E+06 8.04E+06 2.49E+06 5.58E+06 6.33E+06 3.62E+05 3.83E+06 1.08E+06 2.50E+06 2.86E+06 3.13E+06 6.24E+06 5.45E+06 7.17E+06 8.06E+06 8.78E+06 7.86E+06 4.52E+06 7.55E+06 9.26E+06 1.01E+07 3.05E+06 2.44E+06 8.15E+05 3.40E+06 2.34E+06 2.58E+06 7.94E+04 8.80E+06 1.14E+07 1.46E+07 8.68E+06 1.01E+07 4.81E+06 4.80E+06 9.41E+06 9.04E+06 2.11E+06 6.06E+06 1.05E+07 9.66E+06 5.85E+06 8.61E+06 3.00E+06 4.83E+06 5.22E+06 5.11E+06 1.01E+07 6.96E+06 2.02E+06 2.78E+06 1.97E+06 5.25E+06 3.70E+06 3.45E+06 5-Acetylamino-6-amino-3-methyluracil; AIF; CE0; MS2Dec 2.73E+04 2.05E+06 2.01E+06 2.00E+06 2.06E+06 1.82E+06 1.70E+06 1.81E+06 1.66E+06 1.62E+06 3.16E+06 3.04E+06 2.39E+06 3.91E+05 4.08E+05 4.22E+05 1.21E+06 1.26E+06 8.30E+05 1.70E+06 1.63E+06 1.23E+06 1.81E+06 1.73E+06 1.39E+06 2.99E+04 3.46E+04 3.11E+04 2.34E+06 2.41E+06 1.83E+06 2.98E+04 3.16E+04 3.49E+04 4.45E+06 4.67E+06 4.52E+06 4.96E+06 5.23E+06 4.95E+06 3.63E+06 3.78E+06 3.19E+06 2.12E+06 1.70E+06 1.21E+06 1.91E+06 1.59E+06 1.48E+06 1.17E+05 9.74E+04 9.41E+04 2.36E+06 2.46E+06 1.72E+06 1.61E+06 1.49E+06 1.27E+06 2.12E+06 1.65E+06 2.21E+06 7.83E+05 8.54E+05 5.77E+05 2.32E+06 2.32E+06 1.98E+06 5-Aminolevulinic acid 1.13E+06 3.11E+06 3.46E+06 3.60E+06 3.57E+06 3.19E+06 3.33E+06 3.16E+06 2.86E+06 3.11E+06 1.38E+06 1.51E+06 1.58E+06 2.00E+06 2.35E+06 1.17E+06 3.48E+05 1.36E+06 1.54E+06 1.25E+06 8.60E+05 1.90E+06 2.05E+06 2.35E+06 1.21E+06 2.80E+06 2.69E+06 2.19E+06 1.46E+06 1.31E+06 1.39E+06 1.43E+07 1.79E+07 1.53E+07 9.07E+05 1.97E+06 1.73E+06 1.10E+07 1.05E+07 9.13E+06 1.52E+06 1.84E+06 1.63E+06 4.44E+06 2.84E+06 2.21E+06 3.39E+06 4.06E+06 3.52E+06 2.07E+06 2.27E+06 2.02E+06 8.03E+05 2.51E+06 1.15E+06 1.61E+06 1.91E+06 2.14E+06 2.42E+06 2.61E+06 2.17E+06 8.82E+05 9.96E+05 2.28E+06 2.69E+06 1.90E+06 2.16E+06 5-Methyl-uridine 2.40E+04 3.93E+06 3.90E+06 3.73E+06 3.44E+06 3.19E+06 3.03E+06 2.86E+06 2.91E+06 2.76E+06 3.51E+06 3.91E+06 3.77E+06 3.11E+06 3.62E+06 3.12E+06 4.81E+06 7.04E+06 4.52E+06 3.12E+06 3.79E+06 3.48E+06 5.22E+06 5.70E+06 4.49E+06 2.44E+06 2.93E+06 2.64E+06 3.08E+06 4.07E+06 3.29E+06 2.94E+06 3.47E+06 3.13E+06 3.46E+06 4.98E+06 3.72E+06 3.80E+06 6.15E+06 4.27E+06 2.21E+06 3.14E+06 2.75E+06 2.55E+06 2.65E+06 2.36E+06 2.44E+06 2.43E+06 2.38E+06 2.09E+06 2.06E+06 2.86E+06 1.65E+06 1.73E+06 1.92E+06 2.94E+06 3.28E+06 3.24E+06 2.42E+06 2.48E+06 3.52E+06 2.46E+06 2.74E+06 2.47E+06 3.34E+06 3.46E+06 3.24E+06 5-Nitro-o-toluidine 4.94E+04 2.31E+06 2.85E+06 2.67E+06 2.48E+06 2.65E+06 2.60E+06 2.15E+06 2.53E+06 2.50E+06 2.45E+06 2.12E+06 2.06E+06 6.34E+06 4.56E+06 7.36E+06 3.54E+06 2.95E+06 2.86E+06 2.69E+06 2.98E+06 3.14E+06 1.62E+06 1.66E+06 1.68E+06 2.75E+06 3.52E+06 3.32E+06 6.42E+05 1.41E+06 5.28E+05 1.43E+06 1.54E+06 2.05E+06 1.84E+06 1.60E+06 1.81E+06 2.98E+06 3.31E+06 3.09E+06 2.73E+06 3.77E+06 4.65E+06 1.99E+06 1.81E+06 2.23E+06 2.64E+06 2.98E+06 3.17E+06 2.12E+06 1.37E+06 2.55E+06 2.81E+06 2.26E+06 2.26E+06 4.41E+06 1.92E+06 2.27E+06 3.48E+06 2.35E+06 3.81E+06 1.33E+06 1.33E+06 8.94E+05 1.20E+06 2.50E+06 1.12E+06 6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol 2.62E+04 2.39E+06 2.39E+06 2.20E+06 2.18E+06 2.16E+06 1.94E+06 1.91E+06 1.83E+06 1.91E+06 1.73E+06 1.47E+06 1.60E+06 2.28E+06 2.27E+06 2.66E+06 2.56E+06 2.78E+06 2.77E+06 2.43E+06 2.42E+06 2.58E+06 1.86E+06 1.84E+06 2.00E+06 2.54E+06 2.87E+06 3.22E+06 1.35E+06 1.49E+06 1.49E+06 2.40E+06 2.47E+06 2.46E+06 2.53E+06 2.73E+06 3.05E+06 2.28E+06 2.25E+06 2.46E+06 2.02E+06 2.73E+06 2.61E+06 1.66E+06 1.79E+06 1.81E+06 1.96E+06 2.24E+06 2.50E+06 1.71E+06 1.35E+06 2.06E+06 1.60E+06 1.61E+06 1.54E+06 1.96E+06 2.02E+06 2.22E+06 1.36E+06 1.21E+06 1.93E+06 1.40E+06 1.60E+06 1.47E+06 2.33E+06 2.19E+06 2.30E+06 7-Methylguanine 2.56E+04 2.65E+06 2.42E+06 2.75E+06 2.36E+06 2.62E+06 1.99E+06 2.25E+06 1.80E+06 1.83E+06 2.66E+06 2.10E+06 1.82E+06 2.47E+06 2.04E+06 2.56E+06 2.52E+06 3.04E+06 2.78E+06 2.54E+06 2.87E+06 3.14E+06 1.87E+06 2.65E+06 2.21E+06 2.52E+06 3.49E+06 3.21E+06 2.10E+06 2.86E+06 2.56E+06 2.43E+06 3.16E+06 2.29E+06 2.76E+06 3.35E+06 2.98E+06 2.43E+06 3.24E+06 2.54E+06 1.61E+06 2.21E+06 2.02E+06 1.70E+06 1.70E+06 1.68E+06 1.97E+06 2.31E+06 1.95E+06 2.27E+06 1.42E+06 2.16E+06 1.67E+06 1.53E+06 1.50E+06 2.24E+06 2.08E+06 2.12E+06 1.52E+06 1.25E+06 1.84E+06 1.60E+06 1.59E+06 1.52E+06 3.08E+06 2.14E+06 2.23E+06 7-Methylguanosine 2.63E+04 1.33E+06 1.17E+06 1.19E+06 1.17E+06 1.08E+06 1.10E+06 1.04E+06 1.08E+06 9.88E+05 1.18E+06 1.25E+06 1.21E+06 8.35E+05 7.39E+05 1.00E+06 1.39E+06 1.86E+06 1.47E+06 1.16E+06 1.22E+06 1.31E+06 1.03E+06 1.48E+06 1.26E+06 1.23E+06 1.80E+06 1.76E+06 1.43E+06 1.66E+06 1.46E+06 1.13E+06 1.53E+06 1.41E+06 1.18E+06 1.63E+06 1.46E+06 1.39E+06 1.46E+06 1.23E+06 6.39E+05 9.30E+05 1.19E+06 9.31E+05 1.04E+06 1.09E+06 9.33E+05 1.12E+06 1.27E+06 1.12E+06 9.31E+05 1.33E+06 1.09E+06 9.61E+05 1.03E+06 1.09E+06 1.19E+06 1.19E+06 8.60E+05 8.30E+05 1.08E+06 9.96E+05 9.22E+05 9.63E+05 1.12E+06 1.30E+06 1.06E+06 Abietic acid 7.11E+03 4.87E+06 5.40E+06 4.16E+06 4.89E+06 4.34E+06 4.03E+06 3.66E+06 3.81E+06 3.43E+06 3.74E+06 3.04E+06 5.89E+06 9.26E+06 9.62E+06 1.32E+07 2.89E+06 2.59E+06 9.51E+06 1.60E+06 1.10E+06 2.98E+06 1.04E+06 8.94E+05 2.63E+06 3.90E+06 3.22E+06 1.14E+07 1.36E+06 1.08E+06 4.61E+06 1.71E+06 1.49E+06 2.24E+06 2.75E+06 4.87E+06 1.04E+07 1.59E+06 1.78E+06 6.60E+06 2.35E+06 4.42E+06 8.53E+06 1.62E+06 4.45E+06 5.54E+06 4.63E+06 5.63E+06 7.39E+06 8.20E+05 1.52E+06 5.10E+06 2.10E+06 3.19E+06 9.47E+06 1.18E+06 1.29E+06 2.74E+06 1.31E+06 1.46E+06 6.93E+06 1.31E+07 1.44E+07 2.31E+07 7.22E+05 7.03E+05 2.73E+06 Acetohydroxamic acid 3.76E+05 3.06E+07 3.03E+07 2.96E+07 2.89E+07 2.87E+07 2.69E+07 2.61E+07 2.63E+07 2.57E+07 2.99E+07 2.40E+07 2.55E+07 2.32E+07 1.71E+07 1.93E+07 3.16E+07 2.83E+07 2.26E+07 2.87E+07 2.62E+07 2.58E+07 2.82E+07 2.70E+07 2.70E+07 2.52E+07 2.52E+07 2.59E+07 3.27E+07 2.91E+07 2.74E+07 3.87E+07 3.08E+07 3.06E+07 2.72E+07 2.50E+07 2.56E+07 3.00E+07 3.23E+07 2.73E+07 3.41E+07 3.17E+07 2.90E+07 3.22E+07 2.85E+07 2.65E+07 2.11E+07 2.21E+07 2.28E+07 2.81E+07 2.31E+07 2.37E+07 2.57E+07 2.70E+07 2.15E+07 2.61E+07 2.58E+07 2.52E+07 2.84E+07 2.76E+07 2.44E+07 3.19E+07 3.06E+07 2.47E+07 3.04E+07 2.87E+07 2.68E+07 Acetylcholine 3.10E+05 8.21E+07 7.80E+07 7.26E+07 7.02E+07 6.87E+07 6.49E+07 6.23E+07 6.14E+07 5.93E+07 5.03E+07 5.28E+07 4.66E+07 6.72E+07 7.50E+07 6.56E+07 6.66E+07 8.78E+07 6.10E+07 8.43E+07 8.92E+07 8.05E+07 5.99E+07 6.65E+07 5.81E+07 6.86E+07 9.22E+07 7.27E+07 5.65E+07 7.02E+07 5.40E+07 9.65E+07 1.04E+08 9.03E+07 6.21E+07 8.70E+07 7.01E+07 7.72E+07 1.09E+08 8.58E+07 5.79E+07 7.39E+07 6.54E+07 7.68E+07 7.78E+07 6.76E+07 4.91E+07 5.46E+07 5.45E+07 5.38E+07 4.81E+07 5.36E+07 6.82E+07 7.27E+07 6.26E+07 5.70E+07 6.24E+07 5.78E+07 4.70E+07 4.35E+07 4.37E+07 6.08E+07 7.03E+07 5.26E+07 7.89E+07 8.26E+07 8.06E+07 Acetyl-β-methylcholine 4.20E+04 5.63E+07 5.44E+07 5.16E+07 4.80E+07 4.76E+07 4.51E+07 4.28E+07 4.26E+07 4.10E+07 5.54E+07 6.16E+07 5.34E+07 7.07E+07 7.60E+07 7.04E+07 4.63E+07 6.14E+07 4.42E+07 3.60E+07 4.08E+07 3.63E+07 5.98E+07 6.83E+07 5.62E+07 3.25E+07 4.25E+07 3.50E+07 1.73E+07 2.15E+07 1.80E+07 2.63E+07 2.93E+07 2.69E+07 6.49E+07 8.14E+07 6.68E+07 3.37E+07 4.93E+07 4.21E+07 5.74E+07 7.12E+07 6.72E+07 2.87E+07 2.99E+07 2.78E+07 4.13E+07 4.41E+07 4.32E+07 3.83E+07 3.56E+07 3.86E+07 4.92E+07 5.46E+07 4.53E+07 5.13E+07 5.42E+07 5.39E+07 3.53E+07 3.68E+07 3.81E+07 4.40E+07 4.97E+07 3.93E+07 3.82E+07 3.93E+07 3.75E+07 Adipic acid 8.08E+05 2.67E+06 2.36E+06 2.22E+06 2.05E+06 1.89E+06 1.68E+06 1.63E+06 1.57E+06 1.47E+06 6.49E+05 4.58E+05 4.87E+05 8.90E+05 5.60E+05 5.20E+05 5.74E+05 6.39E+05 5.85E+05 6.41E+05 4.82E+05 6.12E+05 5.07E+05 5.63E+05 6.33E+05 4.53E+05 5.63E+05 6.65E+05 4.83E+05 4.89E+05 5.68E+05 5.72E+05 5.02E+05 1.25E+06 5.41E+05 1.77E+06 6.72E+05 5.19E+05 5.98E+05 1.17E+06 4.58E+05 9.83E+05 6.41E+05 4.68E+05 4.71E+05 4.50E+05 4.64E+05 4.73E+05 5.15E+05 4.31E+05 4.33E+05 9.89E+05 6.94E+05 9.21E+05 6.34E+05 4.43E+05 4.13E+05 3.99E+05 4.20E+05 3.98E+05 9.90E+05 4.41E+05 4.57E+05 4.65E+05 9.95E+05 5.43E+07 9.54E+05 Azelaic acid 1.16E+05 6.39E+05 5.81E+05 7.03E+05 7.73E+05 9.50E+05 9.80E+05 1.03E+06 1.05E+06 1.19E+06 3.55E+05 1.11E+06 2.59E+05 5.02E+05 3.12E+05 2.43E+05 4.09E+05 2.60E+05 8.00E+05 1.80E+05 1.65E+05 2.02E+05 2.13E+05 1.66E+05 2.63E+05 3.60E+05 3.96E+05 6.71E+05 6.09E+05 5.96E+05 3.96E+05 7.65E+05 1.48E+05 2.18E+05 2.65E+05 4.07E+05 3.64E+05 1.84E+05 2.24E+05 1.20E+05 1.17E+05 6.51E+05 3.55E+05 2.84E+05 4.22E+05 2.69E+05 3.71E+05 2.33E+05 2.22E+05 1.28E+05 6.02E+05 5.24E+05 2.06E+05 2.05E+05 4.21E+05 3.18E+05 9.80E+05 2.80E+05 2.65E+05 2.54E+05 1.16E+06 2.92E+05 1.08E+06 4.93E+05 2.07E+05 2.16E+05 2.89E+05 BETAINE 8.32E+07 2.78E+09 2.67E+09 2.55E+09 2.58E+09 2.50E+09 2.43E+09 2.32E+09 2.23E+09 2.23E+09 2.86E+09 2.64E+09 2.81E+09 2.14E+09 1.85E+09 1.96E+09 2.55E+09 2.46E+09 2.04E+09 2.11E+09 2.13E+09 2.08E+09 3.09E+09 2.95E+09 2.67E+09 2.15E+09 2.21E+09 2.04E+09 2.90E+09 2.75E+09 2.45E+09 3.38E+09 3.10E+09 3.18E+09 2.38E+09 2.28E+09 2.18E+09 2.58E+09 2.67E+09 2.55E+09 1.97E+09 1.69E+09 1.67E+09 2.25E+09 1.89E+09 1.87E+09 1.64E+09 1.60E+09 1.65E+09 2.67E+09 2.10E+09 2.00E+09 3.47E+09 3.66E+09 3.11E+09 2.60E+09 2.53E+09 2.49E+09 2.23E+09 2.03E+09 2.31E+09 2.19E+09 2.03E+09 1.60E+09 2.87E+09 2.64E+09 2.35E+09 Betonicine; AIF; CE10; CorrDec 1.00E+06 6.85E+07 6.76E+07 6.42E+07 6.00E+07 5.89E+07 5.62E+07 5.45E+07 5.22E+07 5.24E+07 1.07E+07 1.58E+07 1.87E+07 2.22E+08 3.51E+08 3.60E+08 8.69E+07 9.75E+07 5.79E+07 6.55E+06 1.05E+07 8.77E+06 7.28E+06 6.19E+06 6.48E+06 2.64E+06 4.69E+06 4.28E+06 1.39E+07 1.70E+07 1.38E+07 3.10E+06 3.19E+06 2.89E+06 4.69E+06 6.79E+06 5.76E+06 1.03E+06 2.02E+06 1.48E+06 2.45E+08 3.41E+08 2.06E+08 2.43E+08 2.38E+08 1.66E+08 6.20E+06 6.69E+06 6.68E+06 6.37E+05 7.86E+05 7.69E+05 1.21E+06 1.47E+06 1.43E+06 2.07E+07 2.03E+07 1.85E+07 1.09E+06 1.36E+06 4.29E+06 1.88E+07 1.95E+07 1.66E+07 6.45E+06 6.74E+06 6.30E+06 Bilirubin 2.70E+04 1.18E+08 1.13E+08 1.14E+08 1.12E+08 1.06E+08 9.55E+07 7.94E+07 7.64E+07 6.92E+07 8.87E+07 7.73E+07 4.98E+07 4.55E+07 2.50E+07 2.83E+07 6.44E+07 6.41E+07 5.31E+07 1.24E+08 9.71E+07 5.31E+07 1.84E+08 1.86E+08 1.62E+08 5.33E+07 1.48E+08 1.45E+08 1.12E+08 1.05E+08 8.33E+07 1.02E+08 1.03E+08 7.03E+07 5.96E+07 6.02E+07 5.42E+07 1.68E+08 1.66E+08 1.10E+08 5.31E+07 1.18E+08 1.07E+08 6.84E+07 6.65E+07 5.56E+07 5.26E+07 7.71E+07 1.00E+08 1.02E+08 8.82E+07 1.02E+08 6.17E+07 1.28E+08 1.39E+08 1.49E+08 1.55E+08 1.45E+08 1.27E+08 1.13E+08 7.29E+07 1.01E+08 1.04E+08 7.92E+07 1.38E+08 1.40E+08 9.45E+07 Biliverdin 1.09E+04 2.67E+06 3.02E+06 3.08E+06 3.12E+06 2.81E+06 2.70E+06 2.45E+06 2.40E+06 2.21E+06 2.40E+06 2.23E+06 1.76E+06 1.57E+06 1.81E+06 1.22E+06 2.13E+06 3.22E+06 1.72E+06 3.18E+06 2.72E+06 2.78E+06 3.79E+06 4.01E+06 3.68E+06 1.84E+06 3.71E+06 3.49E+06 2.92E+06 2.71E+06 2.40E+06 2.88E+06 2.94E+06 2.16E+06 2.17E+06 1.84E+06 1.77E+06 4.00E+06 3.92E+06 2.93E+06 1.76E+06 3.23E+06 2.67E+06 2.28E+06 2.05E+06 1.84E+06 1.93E+06 2.50E+06 2.81E+06 2.89E+06 2.72E+06 2.82E+06 2.20E+06 3.34E+06 3.73E+06 3.71E+06 3.80E+06 3.43E+06 3.29E+06 3.32E+06 2.34E+06 2.95E+06 2.86E+06 2.46E+06 3.54E+06 2.97E+06 2.64E+06 Butyryl-carnitine; AIF; CE10; CorrDec 1.81E+06 2.66E+07 2.67E+07 2.46E+07 2.15E+07 2.24E+07 1.95E+07 1.85E+07 1.80E+07 1.88E+07 1.96E+07 1.87E+07 1.36E+07 4.11E+07 4.02E+07 3.25E+07 2.39E+07 3.21E+07 1.89E+07 1.63E+07 1.34E+07 1.07E+07 1.49E+07 1.67E+07 1.18E+07 7.45E+07 1.16E+08 7.16E+07 1.08E+07 1.27E+07 1.01E+07 2.35E+07 2.80E+07 2.27E+07 1.41E+07 2.07E+07 1.45E+07 2.45E+07 3.62E+07 2.52E+07 1.89E+07 2.48E+07 1.48E+07 1.39E+07 1.40E+07 8.13E+06 3.65E+07 4.22E+07 2.50E+07 1.67E+07 1.59E+07 1.23E+07 1.91E+07 2.30E+07 1.45E+07 1.58E+07 1.85E+07 2.06E+07 1.11E+07 1.45E+07 1.55E+07 1.17E+07 1.32E+07 8.36E+06 6.77E+06 5.81E+06 5.54E+06 CHOLIC ACID 7.14E+03 7.87E+05 6.39E+05 7.95E+05 8.13E+05 6.19E+05 5.94E+05 5.39E+05 6.71E+05 5.21E+05 2.15E+05 2.85E+05 4.45E+05 2.80E+05 9.40E+04 8.31E+04 2.03E+05 2.53E+05 1.10E+05 1.57E+05 1.20E+05 1.15E+05 1.92E+05 1.99E+05 1.61E+05 1.61E+06 1.88E+06 4.43E+05 1.16E+06 7.14E+05 2.56E+05 1.82E+06 2.28E+06 1.69E+06 3.09E+05 2.27E+05 5.21E+05 6.23E+05 1.05E+06 1.30E+06 2.75E+05 1.85E+05 1.73E+05 3.30E+05 5.15E+05 1.54E+05 4.67E+06 1.84E+06 2.92E+06 2.73E+05 2.44E+05 2.22E+05 1.62E+05 1.29E+05 7.79E+04 4.75E+05 3.12E+05 3.71E+06 4.08E+05 2.14E+05 7.28E+05 1.14E+05 1.69E+05 8.06E+04 4.07E+05 3.60E+05 3.76E+05 Choline 4.75E+05 5.54E+06 5.02E+06 4.82E+06 4.35E+06 4.07E+06 3.99E+06 3.74E+06 3.84E+06 3.77E+06 5.32E+06 4.68E+06 4.70E+06 3.84E+06 4.11E+06 3.89E+06 5.49E+06 5.53E+06 4.32E+06 4.99E+06 4.93E+06 5.24E+06 4.45E+06 4.55E+06 3.90E+06 4.04E+06 4.12E+06 3.80E+06 4.96E+06 4.64E+06 3.70E+06 3.82E+06 3.42E+06 4.26E+06 4.32E+06 5.37E+06 4.73E+06 4.32E+06 4.79E+06 4.38E+06 4.53E+06 4.63E+06 4.51E+06 4.68E+06 4.11E+06 4.15E+06 4.01E+06 3.58E+06 3.28E+06 3.96E+06 3.51E+06 3.47E+06 4.46E+06 4.46E+06 3.70E+06 3.88E+06 3.65E+06 3.91E+06 4.43E+06 5.09E+06 4.09E+06 4.61E+06 4.61E+06 3.87E+06 4.50E+06 4.22E+06 3.20E+06 cis-4-Hydroxy-D-proline 1.04E+06 3.11E+08 3.31E+08 3.46E+08 3.27E+08 3.17E+08 3.04E+08 2.83E+08 2.83E+08 2.75E+08 2.68E+08 2.53E+08 2.94E+08 2.79E+08 2.33E+08 2.84E+08 2.63E+08 2.06E+08 2.01E+08 2.56E+08 3.12E+08 2.56E+08 2.91E+08 2.91E+08 2.94E+08 3.80E+08 3.46E+08 3.76E+08 2.04E+08 1.69E+08 1.62E+08 3.65E+08 5.02E+08 2.61E+08 4.06E+08 3.43E+08 3.91E+08 2.24E+08 3.28E+08 1.20E+08 1.82E+08 2.07E+08 1.95E+08 6.62E+08 5.13E+08 5.26E+08 3.63E+08 3.93E+08 3.49E+08 2.31E+08 1.65E+08 2.17E+08 3.76E+08 3.49E+08 2.97E+08 2.80E+08 3.20E+08 2.69E+08 2.15E+08 1.73E+08 1.54E+08 2.95E+08 2.86E+08 2.14E+08 2.01E+08 1.67E+08 1.72E+08 Citraconic acid 1.20E+06 1.89E+06 4.97E+06 6.13E+06 5.81E+06 5.80E+06 5.36E+06 5.01E+06 5.26E+06 4.98E+06 3.97E+06 5.89E+06 3.01E+06 1.99E+06 3.86E+06 2.62E+06 1.09E+07 8.82E+06 7.54E+06 8.44E+06 6.73E+06 9.98E+06 1.01E+07 7.30E+06 9.63E+06 1.29E+07 8.06E+06 7.70E+06 1.34E+07 5.79E+06 1.37E+07 4.75E+06 4.51E+06 3.34E+06 1.80E+06 1.97E+06 3.08E+06 1.44E+06 4.22E+06 2.10E+06 1.54E+06 3.12E+06 4.20E+06 1.02E+06 1.42E+06 1.49E+06 9.78E+05 1.11E+06 1.40E+06 8.03E+06 6.20E+06 7.37E+06 8.19E+06 9.33E+06 9.05E+06 6.23E+06 1.02E+07 7.36E+06 7.11E+06 7.02E+06 3.05E+06 2.74E+06 1.77E+06 3.18E+06 2.23E+06 1.59E+06 2.60E+06 Citric acid 7.87E+04 3.14E+06 3.74E+06 3.76E+06 3.38E+06 3.61E+06 3.97E+06 4.85E+06 3.08E+06 3.24E+06 5.90E+06 1.00E+07 8.95E+06 3.10E+06 3.74E+06 2.99E+06 9.79E+06 1.07E+07 7.83E+06 6.73E+06 6.67E+06 3.19E+06 3.45E+06 3.68E+06 2.53E+06 2.64E+06 4.42E+06 3.29E+06 3.60E+06 6.24E+06 6.27E+06 5.56E+06 6.37E+06 4.45E+06 1.05E+06 1.15E+06 1.42E+06 1.68E+06 2.00E+06 1.34E+06 2.29E+06 2.52E+06 5.13E+06 3.62E+06 2.89E+06 4.13E+06 1.24E+06 2.66E+06 3.45E+06 1.81E+06 1.22E+06 3.69E+06 4.13E+06 3.50E+06 4.32E+06 4.52E+06 3.51E+06 3.39E+06 2.97E+06 1.86E+06 2.81E+06 8.29E+05 1.15E+06 1.21E+06 2.71E+06 1.49E+06 2.24E+06 CMPF 3.10E+04 8.22E+06 8.68E+06 7.52E+06 7.04E+06 6.64E+06 6.18E+06 5.68E+06 6.66E+06 5.09E+06 6.80E+06 4.83E+06 6.77E+06 8.18E+06 8.01E+06 7.71E+06 5.67E+06 6.18E+06 3.98E+06 1.23E+06 1.51E+06 1.05E+06 2.75E+06 3.11E+06 3.12E+06 5.78E+06 9.66E+06 8.38E+06 5.25E+04 3.01E+04 5.61E+04 9.42E+06 1.17E+07 9.47E+06 1.19E+06 1.90E+06 1.43E+06 2.64E+06 4.01E+06 3.30E+06 2.24E+06 2.70E+06 2.73E+06 1.38E+06 1.67E+06 1.56E+06 2.79E+05 5.94E+05 5.68E+05 1.94E+06 1.48E+06 2.53E+06 3.38E+07 3.27E+07 2.92E+07 8.23E+05 9.24E+05 8.28E+05 4.38E+06 3.56E+06 3.42E+06 2.77E+07 3.38E+07 2.57E+07 3.31E+04 5.69E+04 4.75E+04 Creatine 3.89E+06 1.03E+09 1.00E+09 9.66E+08 9.51E+08 9.05E+08 8.89E+08 8.19E+08 8.23E+08 8.13E+08 5.38E+08 5.05E+08 4.26E+08 7.97E+08 6.47E+08 4.81E+08 6.74E+08 7.04E+08 4.78E+08 5.64E+08 6.86E+08 4.78E+08 3.30E+08 3.28E+08 2.87E+08 5.87E+08 6.89E+08 5.92E+08 1.37E+09 1.46E+09 9.66E+08 1.44E+09 1.56E+09 1.27E+09 9.02E+08 1.02E+09 7.02E+08 1.84E+09 2.53E+09 1.38E+09 1.58E+09 2.08E+09 1.17E+09 7.46E+08 5.77E+08 6.28E+08 1.72E+09 2.15E+09 1.75E+09 5.72E+08 6.27E+08 4.90E+08 4.40E+08 7.04E+08 3.44E+08 5.47E+08 6.69E+08 5.98E+08 6.49E+08 8.25E+08 1.15E+09 6.30E+08 7.31E+08 6.15E+08 4.83E+08 4.10E+08 3.14E+08 Creatinine 4.66E+06 2.65E+09 2.63E+09 2.54E+09 2.48E+09 2.46E+09 2.34E+09 2.27E+09 2.27E+09 2.22E+09 2.05E+09 2.02E+09 1.98E+09 2.55E+09 2.64E+09 2.69E+09 2.46E+09 2.88E+09 2.36E+09 2.67E+09 2.76E+09 2.68E+09 2.29E+09 2.39E+09 2.25E+09 2.48E+09 2.92E+09 2.70E+09 2.88E+09 3.09E+09 2.82E+09 2.64E+09 2.86E+09 2.63E+09 2.40E+09 2.87E+09 2.74E+09 2.52E+09 3.01E+09 2.73E+09 2.23E+09 2.57E+09 2.60E+09 2.26E+09 2.28E+09 2.23E+09 2.19E+09 2.37E+09 2.38E+09 2.22E+09 1.93E+09 2.42E+09 2.30E+09 2.32E+09 2.12E+09 2.23E+09 2.29E+09 2.39E+09 2.05E+09 1.96E+09 2.07E+09 1.86E+09 1.96E+09 1.77E+09 2.11E+09 2.09E+09 2.09E+09 D-(-)-Quinic acid 7.14E+04 6.39E+06 6.48E+06 6.76E+06 6.44E+06 6.07E+06 6.04E+06 5.42E+06 5.54E+06 5.34E+06 8.06E+06 1.03E+07 5.21E+06 5.26E+05 1.05E+06 8.05E+05 7.30E+06 1.21E+07 8.43E+06 3.80E+06 4.06E+06 2.28E+06 5.51E+06 5.81E+06 4.21E+06 1.31E+06 1.86E+06 1.16E+06 8.10E+06 9.73E+06 7.02E+06 3.66E+05 4.43E+05 2.38E+05 6.72E+06 7.51E+06 5.72E+06 1.06E+07 1.34E+07 5.48E+06 1.59E+07 1.98E+07 1.49E+07 1.14E+07 1.07E+07 7.34E+06 3.15E+06 3.37E+06 3.40E+06 1.23E+05 1.20E+05 7.49E+04 5.31E+06 5.56E+06 4.10E+06 5.53E+06 4.64E+06 4.25E+06 9.30E+06 8.22E+06 8.04E+06 1.21E+06 1.29E+06 9.31E+05 5.30E+06 4.93E+06 4.68E+06 D(+)-Phenyllactic acid 1.01E+04 1.67E+06 1.42E+06 1.60E+06 1.27E+06 1.37E+06 1.19E+06 1.28E+06 1.30E+06 1.03E+06 2.52E+06 2.31E+06 2.49E+06 3.05E+06 2.82E+06 2.21E+06 9.68E+05 1.27E+06 1.53E+06 1.79E+06 1.97E+06 1.81E+06 1.29E+06 1.74E+06 1.88E+06 1.99E+06 1.98E+06 1.90E+06 1.35E+06 1.38E+06 1.48E+06 1.65E+06 1.88E+06 2.13E+06 1.36E+06 1.76E+06 1.70E+06 8.64E+05 1.35E+06 1.46E+06 2.04E+06 1.15E+06 1.25E+06 2.16E+06 1.02E+06 7.34E+05 3.18E+05 4.76E+05 4.57E+05 7.37E+05 4.96E+05 5.76E+05 6.81E+05 9.58E+05 6.39E+05 9.62E+05 8.32E+05 9.08E+05 5.24E+05 3.82E+05 6.07E+05 8.72E+05 9.81E+05 5.40E+05 1.32E+06 1.05E+06 5.75E+05 D-(+)-Pipecolinic acid 2.85E+06 1.87E+08 1.84E+08 1.70E+08 1.73E+08 1.69E+08 1.60E+08 1.56E+08 1.51E+08 1.49E+08 3.75E+08 3.21E+08 3.69E+08 1.01E+08 8.63E+07 1.07E+08 1.91E+08 1.69E+08 1.66E+08 1.21E+08 1.19E+08 1.27E+08 1.71E+08 1.70E+08 1.72E+08 1.20E+08 1.22E+08 1.30E+08 2.42E+08 2.30E+08 2.40E+08 1.15E+08 1.08E+08 1.22E+08 8.72E+07 8.07E+07 9.12E+07 1.18E+08 1.18E+08 1.26E+08 1.30E+08 1.42E+08 1.37E+08 1.45E+08 1.37E+08 1.44E+08 1.66E+08 1.77E+08 1.81E+08 1.54E+08 1.36E+08 1.65E+08 1.02E+08 1.05E+08 9.31E+07 1.99E+08 2.01E+08 2.08E+08 1.50E+08 1.43E+08 1.43E+08 1.08E+08 1.09E+08 9.69E+07 2.70E+08 2.53E+08 2.46E+08 D-(+)-Proline 5.40E+06 2.58E+09 2.62E+09 2.54E+09 2.50E+09 2.41E+09 2.31E+09 2.21E+09 2.23E+09 2.17E+09 2.48E+09 2.33E+09 2.46E+09 2.37E+09 2.04E+09 2.01E+09 2.20E+09 2.08E+09 1.87E+09 2.34E+09 2.22E+09 2.22E+09 2.42E+09 2.41E+09 2.44E+09 2.27E+09 2.29E+09 2.26E+09 2.74E+09 2.66E+09 2.62E+09 3.16E+09 2.87E+09 2.77E+09 2.84E+09 2.87E+09 2.83E+09 2.35E+09 2.39E+09 2.35E+09 2.81E+09 2.31E+09 2.01E+09 2.57E+09 2.21E+09 1.97E+09 2.28E+09 2.52E+09 2.44E+09 2.60E+09 2.22E+09 2.28E+09 1.96E+09 2.27E+09 1.63E+09 2.04E+09 1.96E+09 1.91E+09 1.94E+09 1.73E+09 1.72E+09 2.46E+09 2.35E+09 1.86E+09 2.77E+09 2.56E+09 2.46E+09 D-(+)-Xylose 1.06E+04 5.47E+06 5.62E+06 5.52E+06 5.23E+06 5.02E+06 4.93E+06 4.60E+06 4.44E+06 4.42E+06 1.79E+06 2.21E+06 1.38E+06 6.41E+06 6.51E+06 5.11E+06 3.08E+06 3.70E+06 2.41E+06 3.48E+06 4.05E+06 2.84E+06 3.09E+06 3.39E+06 2.56E+06 3.70E+06 4.77E+06 3.53E+06 6.95E+06 8.44E+06 6.65E+06 3.47E+06 3.84E+06 2.79E+06 1.15E+07 1.46E+07 1.15E+07 4.46E+06 5.65E+06 3.44E+06 6.44E+06 6.43E+06 4.63E+06 2.83E+06 2.60E+06 1.96E+06 6.00E+06 5.68E+06 4.94E+06 3.65E+06 3.21E+06 3.55E+06 2.74E+06 3.62E+06 2.81E+06 5.80E+06 5.85E+06 5.00E+06 3.11E+06 2.73E+06 3.41E+06 5.71E+06 5.97E+06 3.82E+06 1.02E+07 1.01E+07 7.13E+06 D-Alanyl-D-alanine 2.68E+03 3.35E+05 5.98E+05 7.06E+05 7.01E+05 6.68E+05 6.59E+05 5.88E+05 5.90E+05 5.82E+05 3.35E+05 8.87E+05 6.73E+05 6.70E+05 6.04E+05 5.20E+05 9.10E+05 5.59E+05 3.08E+05 3.74E+05 1.07E+06 4.35E+05 7.38E+05 8.66E+05 7.50E+05 8.50E+05 7.97E+05 8.20E+05 8.10E+05 1.09E+06 9.62E+05 9.20E+05 9.17E+05 2.10E+05 3.14E+05 1.65E+05 3.56E+05 3.34E+05 2.87E+05 7.84E+04 6.27E+05 8.34E+05 1.20E+06 5.79E+05 6.32E+05 5.31E+05 4.73E+05 7.02E+05 6.40E+05 7.12E+05 6.19E+05 8.10E+05 6.70E+05 6.71E+05 6.66E+05 6.78E+05 6.40E+05 6.16E+05 6.90E+05 6.86E+05 6.69E+05 2.58E+05 2.63E+05 2.23E+05 3.45E+05 3.10E+05 1.81E+05 D-Carnitine 3.34E+05 2.35E+09 2.25E+09 2.16E+09 2.06E+09 2.04E+09 1.93E+09 1.85E+09 1.81E+09 1.76E+09 1.75E+09 1.60E+09 1.71E+09 2.33E+09 1.98E+09 2.02E+09 2.64E+09 2.64E+09 1.95E+09 2.15E+09 2.08E+09 1.99E+09 1.65E+09 1.60E+09 1.11E+09 2.03E+09 2.09E+09 1.83E+09 2.13E+09 2.02E+09 1.72E+09 1.95E+09 1.81E+09 1.98E+09 2.44E+09 2.40E+09 2.20E+09 2.17E+09 2.24E+09 2.11E+09 2.28E+09 2.40E+09 2.21E+09 1.42E+09 1.31E+09 1.25E+09 1.94E+09 1.88E+09 1.97E+09 1.72E+09 1.41E+09 1.29E+09 2.45E+09 2.55E+09 2.03E+09 2.13E+09 2.08E+09 2.07E+09 2.04E+09 1.90E+09 1.56E+09 2.18E+09 2.24E+09 1.75E+09 1.85E+09 1.71E+09 1.55E+09 Deoxycholic Acid 3.05E+03 3.80E+06 3.60E+06 3.57E+06 3.79E+06 3.71E+06 3.46E+06 3.01E+06 3.24E+06 3.11E+06 9.94E+05 6.81E+05 6.87E+05 1.43E+06 6.77E+05 7.53E+05 3.45E+06 2.91E+06 2.07E+06 1.55E+06 1.57E+06 1.21E+06 2.51E+06 2.60E+06 1.55E+06 8.64E+06 6.25E+06 3.70E+06 2.26E+06 1.58E+06 1.05E+06 1.07E+07 1.13E+07 1.01E+07 4.01E+06 3.61E+06 3.04E+06 6.68E+06 8.73E+06 1.44E+07 4.17E+06 2.93E+06 2.65E+06 2.24E+06 2.76E+06 2.47E+06 8.22E+06 2.69E+06 2.18E+06 8.47E+05 5.90E+05 1.19E+06 1.66E+06 1.80E+06 1.22E+06 3.95E+06 3.72E+06 1.34E+07 3.08E+06 2.08E+06 4.15E+06 1.01E+06 9.36E+05 6.11E+05 3.01E+06 3.75E+06 3.29E+06 DG 16:0_24:6 7.93E+03 1.04E+06 8.15E+05 1.10E+06 7.75E+05 1.24E+06 1.01E+06 9.44E+05 8.26E+05 1.07E+06 4.46E+06 3.59E+06 4.34E+06 2.53E+06 2.17E+06 1.88E+06 2.91E+06 1.55E+06 2.01E+06 1.30E+06 7.05E+05 9.59E+05 1.22E+06 3.91E+05 5.21E+05 7.45E+05 7.69E+05 7.62E+05 7.36E+05 5.09E+05 5.01E+05 4.61E+05 4.09E+05 3.14E+05 1.68E+06 1.41E+06 1.70E+06 1.55E+06 7.89E+05 9.23E+05 1.53E+06 1.47E+06 1.77E+06 7.04E+05 8.82E+05 3.39E+05 5.18E+05 6.92E+05 8.92E+05 6.06E+05 9.07E+05 4.29E+05 8.27E+05 6.92E+05 1.12E+06 1.15E+06 1.53E+06 1.19E+06 1.60E+06 1.43E+06 2.04E+06 2.00E+06 2.09E+06 1.57E+06 3.17E+05 1.73E+05 5.90E+05 DG 18:1_18:1 7.21E+04 6.96E+06 6.14E+06 5.96E+06 6.57E+06 6.41E+06 5.68E+06 5.96E+06 5.47E+06 5.48E+06 5.24E+06 4.52E+06 4.66E+06 8.40E+06 1.05E+07 8.60E+06 5.33E+06 6.17E+06 4.88E+06 1.09E+07 1.33E+07 7.51E+06 3.14E+06 4.07E+06 3.53E+06 9.05E+06 9.02E+06 9.25E+06 5.69E+06 4.96E+06 4.42E+06 3.95E+06 5.44E+06 3.82E+06 7.23E+06 9.00E+06 5.90E+06 5.58E+06 4.87E+06 4.58E+06 7.71E+06 8.28E+06 6.96E+06 5.83E+06 8.38E+06 4.95E+06 6.33E+06 7.59E+06 6.65E+06 4.36E+06 3.69E+06 4.28E+06 3.27E+06 3.36E+06 4.01E+06 7.33E+06 4.81E+06 5.75E+06 7.13E+06 6.12E+06 7.06E+06 8.11E+06 1.04E+07 5.39E+06 3.10E+06 2.46E+06 2.55E+06 DL-Arginine 2.14E+05 5.36E+08 5.20E+08 5.15E+08 5.10E+08 4.92E+08 4.80E+08 4.50E+08 4.46E+08 4.36E+08 6.12E+08 4.29E+08 4.87E+08 4.58E+08 2.82E+08 3.64E+08 6.54E+08 5.43E+08 5.40E+08 5.28E+08 3.88E+08 4.25E+08 5.02E+08 4.53E+08 4.73E+08 3.75E+08 4.00E+08 4.34E+08 5.48E+08 4.30E+08 3.90E+08 6.95E+08 5.66E+08 5.36E+08 6.37E+08 6.53E+08 5.74E+08 7.20E+08 7.57E+08 6.81E+08 4.55E+08 4.65E+08 3.99E+08 4.83E+08 3.95E+08 3.97E+08 3.99E+08 4.22E+08 4.20E+08 4.33E+08 3.38E+08 3.90E+08 3.68E+08 3.92E+08 3.08E+08 4.80E+08 4.98E+08 5.01E+08 4.31E+08 3.60E+08 4.50E+08 5.49E+08 4.73E+08 4.12E+08 5.47E+08 4.98E+08 4.49E+08 DL-Dipalmitoylphosphatidylcholine 1.80E+05 9.85E+07 1.01E+08 1.00E+08 1.84E+08 9.12E+07 8.91E+07 8.12E+07 7.60E+07 7.34E+07 9.79E+07 8.28E+07 8.55E+07 7.97E+07 1.73E+08 1.43E+08 6.94E+07 7.38E+07 8.23E+07 1.02E+08 9.37E+07 8.97E+07 8.02E+07 9.29E+07 9.41E+07 1.00E+08 1.08E+08 1.12E+08 9.29E+07 1.93E+08 1.86E+08 9.09E+07 8.15E+07 1.74E+08 9.32E+07 1.84E+08 1.06E+08 9.77E+07 1.05E+08 2.04E+08 7.83E+07 6.36E+07 5.75E+07 9.28E+07 9.92E+07 8.31E+07 9.34E+07 8.71E+07 9.75E+07 9.29E+07 1.02E+08 1.12E+08 7.72E+07 8.04E+07 8.49E+07 8.83E+07 8.71E+07 8.56E+07 8.19E+07 8.35E+07 7.77E+07 8.82E+07 8.76E+07 1.90E+08 9.80E+07 1.05E+08 1.10E+08 DL-Glutamine 3.74E+04 1.17E+08 1.13E+08 1.08E+08 1.04E+08 1.01E+08 9.58E+07 8.84E+07 8.79E+07 8.76E+07 1.31E+08 9.24E+07 1.18E+08 8.70E+07 8.12E+07 8.91E+07 1.27E+08 1.19E+08 1.21E+08 1.12E+08 1.03E+08 1.19E+08 1.01E+08 1.04E+08 1.19E+08 9.49E+07 1.15E+08 1.20E+08 1.21E+08 1.14E+08 1.20E+08 1.03E+08 8.76E+07 1.07E+08 1.17E+08 1.13E+08 1.27E+08 1.05E+08 1.05E+08 1.15E+08 7.85E+07 8.16E+07 7.69E+07 9.19E+07 8.84E+07 8.51E+07 7.59E+07 8.68E+07 9.21E+07 1.06E+08 8.50E+07 1.06E+08 8.99E+07 8.59E+07 9.02E+07 8.55E+07 8.71E+07 9.14E+07 9.15E+07 7.97E+07 8.53E+07 9.04E+07 9.25E+07 8.30E+07 1.08E+08 9.61E+07 1.02E+08 DL-Homoserine 7.34E+04 4.68E+07 4.61E+07 4.68E+07 4.07E+07 4.36E+07 4.41E+07 4.15E+07 3.59E+07 3.67E+07 5.83E+07 5.58E+07 4.61E+07 2.82E+07 1.92E+07 2.34E+07 6.37E+07 4.20E+07 4.00E+07 3.49E+07 3.14E+07 2.95E+07 3.66E+07 3.49E+07 3.69E+07 4.19E+07 4.03E+07 3.92E+07 4.13E+07 3.41E+07 2.67E+07 5.17E+07 4.30E+07 3.64E+07 4.53E+07 3.46E+07 4.58E+07 6.41E+07 4.87E+07 3.99E+07 4.82E+07 4.89E+07 3.94E+07 5.01E+07 4.35E+07 3.90E+07 3.52E+07 3.91E+07 3.91E+07 4.99E+07 3.81E+07 5.13E+07 3.93E+07 4.21E+07 3.01E+07 4.17E+07 3.81E+07 4.06E+07 4.64E+07 4.21E+07 3.73E+07 3.81E+07 3.61E+07 2.55E+07 4.10E+07 4.26E+07 3.85E+07 DL-Lysine 4.74E+03 1.24E+07 1.18E+07 1.16E+07 1.13E+07 1.09E+07 1.05E+07 9.95E+06 9.61E+06 9.58E+06 1.96E+07 1.05E+07 1.31E+07 1.41E+07 8.49E+06 9.34E+06 1.28E+07 1.08E+07 9.96E+06 1.16E+07 8.26E+06 8.83E+06 1.09E+07 1.01E+07 1.03E+07 9.99E+06 9.83E+06 9.77E+06 7.12E+06 5.46E+06 4.42E+06 1.41E+07 9.65E+06 9.86E+06 1.55E+07 1.46E+07 1.22E+07 1.60E+07 1.44E+07 1.26E+07 9.51E+06 8.89E+06 5.79E+06 1.15E+07 8.46E+06 8.78E+06 8.31E+06 8.82E+06 9.28E+06 1.23E+07 9.30E+06 9.07E+06 1.21E+07 1.23E+07 9.44E+06 1.04E+07 1.06E+07 1.03E+07 1.20E+07 9.99E+06 1.09E+07 1.18E+07 1.02E+07 8.21E+06 9.86E+06 9.36E+06 8.82E+06 DL-Serine 6.10E+04 6.44E+07 6.47E+07 6.38E+07 6.23E+07 5.94E+07 5.82E+07 5.57E+07 5.60E+07 5.46E+07 8.87E+07 7.32E+07 7.46E+07 4.23E+07 2.57E+07 2.86E+07 7.25E+07 4.94E+07 4.79E+07 5.02E+07 4.85E+07 4.18E+07 6.20E+07 5.71E+07 5.83E+07 5.65E+07 5.42E+07 5.63E+07 7.41E+07 6.23E+07 5.26E+07 1.01E+08 7.56E+07 6.19E+07 6.28E+07 4.81E+07 5.07E+07 8.78E+07 7.84E+07 5.14E+07 6.31E+07 5.36E+07 4.77E+07 6.62E+07 5.21E+07 5.13E+07 4.42E+07 5.05E+07 5.45E+07 6.58E+07 5.34E+07 5.24E+07 7.71E+07 8.39E+07 6.10E+07 4.42E+07 4.19E+07 4.21E+07 6.82E+07 6.72E+07 6.05E+07 5.84E+07 5.70E+07 4.41E+07 6.11E+07 5.41E+07 5.02E+07 DL-threo-beta-Methylaspartic acid 8.41E+04 8.74E+05 1.08E+06 1.15E+06 1.15E+06 1.13E+06 1.14E+06 9.83E+05 9.63E+05 9.43E+05 7.08E+05 1.84E+06 7.85E+05 8.21E+05 9.12E+05 7.96E+05 1.50E+06 1.00E+06 5.81E+05 9.42E+05 1.83E+06 7.93E+05 1.06E+06 1.41E+06 9.84E+05 1.54E+06 1.79E+06 1.25E+06 1.14E+06 1.82E+06 1.46E+06 1.31E+06 1.81E+06 7.65E+05 5.16E+05 5.08E+05 6.86E+05 7.57E+05 6.76E+05 3.04E+05 9.13E+05 1.18E+06 1.86E+06 7.77E+05 9.47E+05 6.40E+05 6.25E+05 7.88E+05 8.31E+05 1.24E+06 1.04E+06 1.64E+06 1.05E+06 1.12E+06 1.02E+06 1.21E+06 1.06E+06 9.52E+05 1.19E+06 1.20E+06 9.12E+05 4.51E+05 5.24E+05 3.55E+05 5.29E+05 5.27E+05 4.54E+05 DL-α-Aminocaprylic acid 2.71E+04 6.86E+05 7.06E+05 6.35E+05 6.16E+05 5.85E+05 5.68E+05 5.33E+05 4.78E+05 4.92E+05 6.33E+04 3.22E+04 3.29E+04 1.97E+05 9.85E+04 9.18E+04 3.00E+05 4.54E+05 2.65E+05 4.85E+05 4.15E+05 3.12E+05 3.92E+05 5.91E+05 4.51E+05 6.24E+04 7.43E+04 3.01E+04 1.27E+06 2.17E+06 2.13E+06 7.88E+05 8.75E+05 6.83E+05 2.60E+05 2.89E+05 2.09E+05 1.48E+05 2.28E+05 2.76E+05 6.00E+05 9.00E+05 7.00E+05 9.17E+04 1.04E+05 5.18E+04 3.41E+05 3.80E+05 2.59E+05 1.75E+06 1.59E+06 1.85E+06 5.49E+05 1.02E+06 1.46E+06 2.03E+05 1.63E+05 1.86E+05 5.70E+05 6.65E+05 1.32E+06 7.13E+05 8.04E+05 5.81E+05 2.30E+05 2.85E+05 2.02E+05 DL-β-Leucine 1.04E+06 4.42E+06 4.13E+06 4.61E+06 4.05E+06 4.33E+06 3.80E+06 3.88E+06 3.53E+06 3.67E+06 4.58E+06 3.67E+06 3.24E+06 6.12E+06 5.04E+06 7.09E+06 7.56E+06 7.38E+06 6.15E+06 4.77E+06 4.60E+06 4.23E+06 4.39E+06 4.00E+06 3.47E+06 4.61E+06 3.08E+06 3.11E+06 2.94E+06 2.28E+06 2.51E+06 1.32E+07 1.40E+07 1.65E+07 2.83E+06 2.49E+06 2.80E+06 9.68E+06 1.10E+07 1.26E+07 4.88E+06 3.76E+06 4.11E+06 2.30E+06 2.44E+06 2.59E+06 3.33E+06 2.31E+06 2.69E+06 3.80E+06 2.89E+06 3.26E+06 4.45E+06 2.76E+06 2.79E+06 4.54E+06 3.04E+06 3.36E+06 4.79E+06 4.19E+06 5.39E+06 3.98E+06 2.19E+06 2.25E+06 1.86E+06 2.19E+06 3.04E+06 D-α-Tocopherol 1.00E+04 4.19E+06 3.72E+06 3.73E+06 3.51E+06 3.19E+06 3.25E+06 3.09E+06 2.84E+06 2.85E+06 5.80E+06 4.67E+06 4.13E+06 6.25E+06 8.57E+06 5.58E+06 5.62E+06 5.48E+06 3.82E+06 3.39E+06 3.91E+06 3.34E+06 3.80E+06 3.78E+06 3.17E+06 3.07E+06 3.28E+06 3.40E+06 2.67E+06 3.02E+06 2.13E+06 3.09E+06 3.41E+06 3.26E+06 3.84E+06 4.14E+06 2.23E+06 4.32E+06 4.96E+06 4.02E+06 3.90E+06 3.78E+06 4.13E+06 3.89E+06 3.51E+06 2.65E+06 3.11E+06 3.67E+06 3.56E+06 2.81E+06 2.61E+06 3.04E+06 3.03E+06 3.71E+06 3.00E+06 4.26E+06 3.43E+06 3.83E+06 4.56E+06 3.70E+06 3.12E+06 3.87E+06 4.42E+06 3.30E+06 1.46E+06 1.81E+06 1.29E+06 Ecgonine 8.12E+05 8.39E+06 9.11E+06 8.50E+06 8.45E+06 8.39E+06 7.34E+06 7.09E+06 6.75E+06 7.12E+06 3.72E+06 3.49E+06 3.72E+06 3.37E+06 3.67E+06 3.64E+06 9.59E+06 9.60E+06 9.07E+06 1.48E+07 1.69E+07 1.51E+07 2.08E+06 2.08E+06 2.04E+06 5.78E+06 6.76E+06 5.71E+06 5.47E+06 5.84E+06 5.20E+06 5.59E+06 6.53E+06 6.42E+06 5.91E+06 7.28E+06 6.13E+06 5.03E+06 6.55E+06 5.87E+06 1.41E+07 1.75E+07 1.41E+07 3.92E+06 4.32E+06 4.01E+06 8.24E+06 9.30E+06 8.35E+06 4.03E+06 3.94E+06 3.91E+06 1.49E+07 1.70E+07 1.43E+07 1.39E+07 1.38E+07 1.24E+07 6.98E+06 6.64E+06 5.93E+06 6.58E+06 7.91E+06 6.37E+06 2.51E+06 2.73E+06 2.54E+06 epiandrosterone sulfate 7.62E+03 2.93E+08 2.67E+08 2.43E+08 2.53E+08 2.46E+08 2.21E+08 2.31E+08 2.19E+08 2.05E+08 7.69E+07 8.60E+07 8.69E+07 2.75E+08 2.67E+08 3.17E+08 2.38E+08 2.76E+08 2.50E+08 2.39E+08 2.59E+08 2.50E+08 2.71E+08 3.38E+08 3.06E+08 3.91E+08 4.95E+08 5.15E+08 1.72E+08 2.10E+08 1.96E+08 2.86E+08 3.20E+08 2.92E+08 3.81E+08 4.98E+08 4.98E+08 1.85E+08 2.29E+08 2.58E+08 1.23E+08 1.60E+08 1.70E+08 1.90E+08 2.19E+08 1.99E+08 2.61E+08 3.28E+08 3.06E+08 2.29E+08 2.20E+08 3.22E+08 1.13E+08 1.34E+08 1.24E+08 1.32E+08 1.45E+08 1.33E+08 1.73E+08 1.79E+08 2.56E+08 1.58E+08 1.89E+08 1.62E+08 3.36E+08 2.89E+08 3.51E+08 Erucamide 3.14E+07 7.87E+07 7.87E+07 7.84E+07 7.62E+07 7.74E+07 7.53E+07 6.84E+07 6.62E+07 6.72E+07 3.29E+07 9.44E+07 1.10E+07 1.21E+07 3.74E+07 7.32E+06 1.01E+07 1.11E+08 9.40E+07 9.80E+06 9.64E+06 1.09E+07 2.38E+07 1.18E+07 1.61E+07 1.04E+07 2.37E+08 2.64E+07 3.06E+08 1.06E+08 2.58E+07 9.07E+06 1.35E+07 1.31E+07 9.08E+06 9.51E+06 1.04E+07 8.99E+06 1.04E+07 9.87E+06 1.90E+07 2.34E+07 2.06E+07 1.27E+07 3.48E+07 1.15E+07 2.79E+07 1.20E+07 1.20E+07 9.63E+06 1.81E+08 1.11E+07 1.34E+07 1.48E+07 2.09E+07 1.51E+07 9.64E+07 1.17E+07 1.38E+07 2.08E+07 4.48E+07 1.73E+07 5.51E+07 2.05E+07 1.80E+07 9.46E+06 1.11E+07 Ethylenediaminetetraacetic acid (EDTA) 4.12E+04 2.36E+09 2.75E+09 2.84E+09 2.81E+09 2.78E+09 2.65E+09 2.68E+09 2.58E+09 2.77E+09 2.52E+09 2.82E+09 2.73E+09 2.87E+09 3.41E+09 2.62E+09 2.88E+09 3.83E+09 1.91E+09 2.66E+09 3.67E+09 3.36E+09 3.46E+09 3.61E+09 3.56E+09 2.71E+09 2.82E+09 2.73E+09 2.60E+09 2.75E+09 2.80E+09 2.72E+09 2.69E+09 2.54E+09 1.43E+09 1.63E+09 1.67E+09 1.64E+09 1.66E+09 1.62E+09 2.41E+09 2.69E+09 2.95E+09 2.48E+09 2.52E+09 2.54E+09 3.25E+09 2.52E+09 2.64E+09 4.87E+09 2.33E+09 2.65E+09 2.43E+09 3.27E+09 2.39E+09 3.25E+09 2.55E+09 2.42E+09 2.46E+09 2.42E+09 2.50E+09 1.66E+09 1.80E+09 1.25E+09 1.60E+09 1.58E+09 1.56E+09 FA 16:2 5.42E+05 1.37E+06 1.51E+06 1.41E+06 1.51E+06 1.42E+06 1.37E+06 1.24E+06 1.32E+06 1.16E+06 6.69E+05 6.25E+05 6.81E+05 1.11E+06 7.85E+05 1.07E+06 1.08E+06 1.17E+06 1.05E+06 1.72E+06 2.01E+06 1.26E+06 1.53E+06 1.63E+06 1.48E+06 1.78E+06 2.14E+06 1.98E+06 1.45E+06 1.71E+06 1.63E+06 2.73E+06 2.21E+06 2.13E+06 1.61E+06 1.44E+06 1.09E+06 1.37E+06 2.05E+06 1.73E+06 1.11E+06 1.48E+06 1.33E+06 2.16E+06 1.43E+06 1.38E+06 1.63E+06 1.70E+06 1.74E+06 1.21E+06 1.09E+06 1.30E+06 1.47E+06 1.28E+06 1.51E+06 9.74E+05 8.54E+05 9.39E+05 1.19E+06 1.49E+06 1.32E+06 8.34E+05 9.85E+05 9.02E+05 2.50E+06 2.30E+06 2.25E+06 FA 23:0 2.99E+04 3.75E+06 3.68E+06 2.73E+06 3.31E+06 3.00E+06 2.40E+06 2.39E+06 1.72E+06 2.76E+06 1.56E+06 1.02E+06 1.13E+06 2.58E+06 2.47E+06 2.61E+06 1.82E+06 1.85E+06 2.22E+06 3.14E+06 3.23E+06 2.78E+06 4.86E+06 5.51E+06 4.91E+06 3.83E+06 3.88E+06 3.64E+06 3.59E+06 3.59E+06 2.96E+06 5.58E+06 5.41E+06 5.07E+06 2.29E+06 2.28E+06 2.19E+06 1.61E+06 2.25E+06 1.87E+06 2.58E+06 2.82E+06 2.30E+06 4.53E+06 2.71E+06 4.10E+06 2.66E+06 2.69E+06 2.64E+06 2.33E+06 2.09E+06 2.49E+06 2.59E+06 2.94E+06 2.97E+06 2.63E+06 3.16E+06 2.51E+06 3.22E+06 2.99E+06 3.60E+06 1.66E+06 1.96E+06 1.72E+06 4.34E+06 3.68E+06 3.49E+06 FA 26:1 2.22E+04 4.19E+06 3.99E+06 3.29E+06 2.15E+06 1.98E+06 2.94E+06 2.05E+06 8.88E+05 7.42E+05 1.11E+06 4.94E+05 6.91E+05 3.78E+06 3.85E+06 3.53E+06 1.67E+06 1.03E+06 1.27E+06 1.38E+06 5.23E+06 3.65E+06 2.53E+06 2.30E+06 2.00E+06 3.85E+06 4.73E+06 4.25E+06 2.35E+06 4.61E+06 2.33E+06 2.62E+06 4.74E+06 4.20E+06 1.54E+06 1.83E+06 1.37E+06 2.04E+06 2.37E+06 1.87E+06 3.14E+06 3.45E+06 2.42E+06 6.73E+06 7.81E+06 5.58E+06 3.87E+06 2.52E+06 4.22E+06 1.52E+06 8.19E+05 1.76E+06 2.77E+06 1.90E+06 3.13E+06 1.72E+06 1.70E+06 1.83E+06 3.37E+06 1.64E+06 3.84E+06 1.06E+06 2.88E+06 1.34E+06 7.65E+06 7.23E+06 6.06E+06 FA 9:0+1O 2.18E+06 1.35E+07 1.79E+07 2.30E+07 2.61E+07 2.74E+07 2.80E+07 3.10E+07 3.33E+07 3.65E+07 2.13E+06 1.43E+06 1.92E+06 2.03E+06 1.18E+06 1.69E+06 1.46E+06 1.44E+06 1.45E+06 1.38E+06 1.70E+06 9.63E+05 8.57E+05 1.16E+06 1.04E+06 1.15E+06 2.15E+06 2.40E+06 1.18E+06 9.89E+05 1.53E+06 2.08E+06 1.28E+06 2.08E+06 1.02E+06 1.60E+06 1.38E+06 1.37E+06 1.62E+06 1.23E+06 1.02E+06 1.21E+06 1.07E+06 1.54E+06 9.30E+05 1.32E+06 1.60E+06 1.40E+06 1.14E+06 1.26E+06 1.51E+06 1.17E+06 8.73E+05 1.28E+06 1.29E+06 1.68E+06 1.18E+06 9.05E+05 1.11E+06 1.28E+06 1.25E+06 1.29E+06 1.29E+06 1.07E+06 2.53E+06 2.26E+06 2.38E+06 FAHFA 27:2 8.19E+04 2.32E+06 3.33E+06 2.22E+06 2.58E+06 2.37E+06 3.49E+06 1.76E+06 3.68E+06 3.23E+06 4.26E+06 5.70E+06 5.21E+06 1.63E+06 2.11E+06 2.23E+06 2.64E+06 2.35E+06 1.81E+06 2.83E+06 2.02E+06 1.08E+06 4.70E+06 4.02E+06 4.75E+06 5.02E+06 3.96E+06 3.11E+06 3.03E+06 3.84E+06 3.22E+06 5.18E+06 6.06E+06 5.11E+06 2.01E+06 1.51E+06 8.32E+05 3.82E+06 3.29E+06 3.12E+06 2.35E+06 1.55E+06 1.31E+06 1.79E+06 1.53E+06 3.45E+06 3.23E+06 2.08E+06 2.56E+06 3.62E+06 4.03E+06 4.88E+06 3.38E+06 3.97E+06 3.21E+06 1.52E+06 1.35E+06 2.68E+06 2.62E+06 3.62E+06 2.30E+06 1.34E+06 2.51E+06 8.60E+05 5.01E+06 5.24E+06 4.78E+06 Gabapentin 1.23E+06 4.63E+06 3.85E+06 5.11E+06 3.64E+06 4.53E+06 4.17E+06 3.68E+06 3.48E+06 3.86E+06 2.26E+06 2.53E+06 4.04E+06 1.52E+06 1.70E+06 1.61E+06 3.56E+06 4.47E+06 3.72E+06 1.35E+06 1.52E+06 1.63E+06 1.06E+06 1.04E+06 1.29E+06 5.37E+06 6.56E+06 5.66E+06 6.67E+06 7.76E+06 5.91E+06 2.46E+06 2.50E+06 2.18E+06 5.88E+06 7.02E+06 6.51E+06 5.58E+06 6.76E+06 4.71E+06 2.10E+06 2.98E+06 2.59E+06 1.45E+06 1.45E+06 1.51E+06 9.70E+06 1.17E+07 1.19E+07 2.71E+06 2.95E+06 3.18E+06 2.23E+06 2.41E+06 2.01E+06 1.16E+06 1.40E+06 1.47E+06 1.60E+06 1.35E+06 1.36E+06 9.17E+06 9.85E+06 8.53E+06 3.71E+06 3.23E+06 3.56E+06 Gentisic acid 2.50E+03 1.70E+06 1.67E+06 1.67E+06 1.54E+06 1.48E+06 1.37E+06 1.29E+06 1.34E+06 1.25E+06 1.88E+06 2.22E+06 2.45E+06 1.24E+06 9.38E+05 1.20E+06 1.97E+06 3.14E+06 1.50E+06 1.01E+06 1.33E+06 1.08E+06 3.40E+06 3.69E+06 2.91E+06 5.12E+05 6.11E+05 5.67E+05 2.41E+06 2.94E+06 2.33E+06 1.93E+06 2.34E+06 1.82E+06 1.10E+06 1.54E+06 1.32E+06 1.09E+06 1.78E+06 1.75E+06 9.34E+05 1.41E+06 1.03E+06 1.93E+05 1.60E+05 1.38E+05 6.59E+05 7.20E+05 6.24E+05 2.43E+06 1.73E+06 2.70E+06 2.84E+05 3.18E+05 2.31E+05 1.09E+06 1.16E+06 1.21E+06 5.52E+05 5.72E+05 1.28E+06 1.09E+06 1.28E+06 8.62E+05 4.93E+06 4.41E+06 4.06E+06 Glycine 2.11E+04 6.33E+06 6.30E+06 6.47E+06 5.56E+06 6.17E+06 6.18E+06 6.01E+06 5.01E+06 5.44E+06 7.92E+06 7.63E+06 6.62E+06 3.78E+06 2.54E+06 3.26E+06 8.89E+06 5.56E+06 5.54E+06 4.63E+06 4.25E+06 3.95E+06 5.10E+06 4.69E+06 5.15E+06 5.93E+06 5.46E+06 5.33E+06 5.91E+06 4.76E+06 3.70E+06 7.27E+06 5.87E+06 4.98E+06 6.18E+06 4.47E+06 5.88E+06 8.64E+06 6.32E+06 5.35E+06 6.91E+06 7.00E+06 5.71E+06 7.18E+06 6.36E+06 5.82E+06 5.16E+06 5.69E+06 5.86E+06 7.44E+06 5.55E+06 6.82E+06 5.93E+06 5.98E+06 4.48E+06 6.00E+06 5.75E+06 6.14E+06 6.55E+06 6.36E+06 5.25E+06 5.51E+06 5.12E+06 3.80E+06 5.91E+06 6.40E+06 5.56E+06 Glycylproline 8.89E+04 5.32E+06 5.60E+06 6.04E+06 6.07E+06 7.51E+06 5.48E+06 5.04E+06 5.11E+06 2.52E+06 2.52E+06 6.84E+06 6.27E+06 2.78E+06 1.75E+06 1.75E+06 8.30E+06 3.30E+06 5.75E+06 5.20E+06 8.43E+06 3.53E+06 5.34E+06 2.89E+06 4.68E+06 1.35E+06 7.71E+06 1.18E+06 8.10E+06 1.01E+07 7.51E+06 1.12E+07 1.20E+07 1.62E+06 8.71E+06 5.72E+06 8.24E+06 5.61E+06 1.05E+07 3.87E+06 3.22E+06 3.05E+06 3.30E+06 1.90E+06 2.21E+06 1.68E+06 3.41E+06 2.08E+06 2.25E+06 5.10E+06 5.08E+06 6.67E+06 3.46E+06 4.49E+06 3.82E+06 2.20E+06 2.13E+06 2.06E+06 3.91E+06 3.96E+06 1.83E+06 3.59E+06 2.40E+06 3.93E+06 8.32E+06 7.92E+06 8.67E+06 Guanidineacetic acid 4.30E+04 6.32E+07 6.60E+07 6.40E+07 6.36E+07 6.24E+07 6.06E+07 5.61E+07 5.67E+07 5.61E+07 3.97E+07 5.03E+07 4.37E+07 4.41E+07 4.75E+07 3.72E+07 8.41E+07 7.95E+07 6.94E+07 5.29E+07 7.12E+07 5.26E+07 6.58E+07 6.94E+07 6.13E+07 5.51E+07 5.79E+07 5.38E+07 4.25E+07 4.94E+07 4.04E+07 6.82E+07 7.39E+07 4.93E+07 5.86E+07 5.78E+07 5.76E+07 7.23E+07 1.01E+08 6.24E+07 8.06E+07 1.00E+08 7.64E+07 5.98E+07 5.19E+07 4.73E+07 4.77E+07 4.42E+07 5.16E+07 4.99E+07 5.37E+07 4.45E+07 3.24E+07 4.11E+07 3.33E+07 4.99E+07 5.36E+07 5.65E+07 5.49E+07 6.16E+07 6.97E+07 7.94E+07 8.88E+07 6.24E+07 7.43E+07 7.69E+07 5.71E+07 Hippuric acid 4.97E+04 2.89E+07 2.88E+07 2.81E+07 2.81E+07 2.93E+07 2.77E+07 2.58E+07 2.53E+07 2.45E+07 6.55E+07 6.52E+07 3.16E+07 1.58E+07 1.42E+07 1.20E+07 1.31E+07 2.83E+07 1.41E+07 1.57E+07 1.52E+07 6.65E+06 3.35E+07 3.57E+07 1.76E+07 4.73E+07 5.26E+07 2.73E+07 3.58E+07 3.87E+07 2.19E+07 5.94E+06 8.63E+06 7.55E+06 3.38E+07 4.47E+07 2.01E+07 5.65E+07 6.79E+07 2.49E+07 1.16E+07 1.67E+07 1.48E+07 2.18E+07 1.74E+07 1.25E+07 3.00E+07 3.17E+07 2.76E+07 9.83E+06 8.25E+06 1.40E+07 4.25E+07 4.26E+07 1.33E+07 5.61E+07 6.47E+07 3.53E+07 2.63E+07 2.38E+07 2.71E+07 1.62E+07 1.47E+07 9.96E+06 3.78E+06 3.00E+06 2.60E+06 HOMOARGININE 4.72E+04 1.10E+07 1.07E+07 1.03E+07 1.05E+07 9.61E+06 9.55E+06 8.89E+06 8.65E+06 8.11E+06 1.54E+07 1.13E+07 1.46E+07 1.32E+07 1.04E+07 1.25E+07 9.04E+06 8.69E+06 1.06E+07 9.01E+06 8.22E+06 9.48E+06 8.04E+06 7.48E+06 8.75E+06 7.36E+06 8.00E+06 8.68E+06 1.05E+07 8.63E+06 8.36E+06 1.30E+07 1.14E+07 1.23E+07 9.43E+06 9.12E+06 9.89E+06 1.70E+07 1.95E+07 1.79E+07 6.97E+06 6.40E+06 5.73E+06 6.44E+06 5.86E+06 6.42E+06 5.66E+06 5.92E+06 6.33E+06 8.97E+06 8.60E+06 9.32E+06 7.61E+06 7.76E+06 6.67E+06 1.03E+07 1.10E+07 1.22E+07 5.76E+06 5.28E+06 7.82E+06 1.02E+07 1.01E+07 9.96E+06 1.72E+07 1.68E+07 1.73E+07 HOMOCITRULLINE 2.64E+04 4.68E+06 5.25E+06 5.53E+06 5.01E+06 5.16E+06 4.81E+06 4.33E+06 4.49E+06 4.30E+06 3.90E+06 7.77E+06 7.18E+06 8.11E+06 8.60E+06 8.49E+06 2.75E+06 3.13E+06 2.72E+06 2.92E+06 4.19E+06 2.84E+06 3.25E+06 3.03E+06 2.38E+06 2.85E+06 3.16E+06 2.54E+06 4.46E+06 4.95E+06 3.76E+06 8.65E+06 8.92E+06 6.61E+06 2.94E+06 3.17E+06 3.23E+06 1.05E+07 1.62E+07 6.44E+06 3.52E+06 4.23E+06 3.98E+06 2.98E+06 2.82E+06 2.25E+06 3.95E+06 3.89E+06 4.41E+06 5.87E+06 4.84E+06 4.28E+06 3.20E+06 4.03E+06 3.58E+06 4.95E+06 5.41E+06 5.31E+06 6.42E+06 5.83E+06 6.04E+06 5.10E+06 4.29E+06 2.90E+06 2.50E+06 2.75E+06 2.40E+06 Homostachydrine 2.79E+04 1.14E+07 1.14E+07 1.12E+07 1.03E+07 1.04E+07 9.18E+06 8.23E+06 8.73E+06 7.92E+06 5.96E+06 5.49E+06 5.37E+06 1.52E+07 1.53E+07 1.38E+07 9.78E+06 1.13E+07 8.10E+06 6.43E+06 6.33E+06 6.02E+06 8.17E+06 9.19E+06 8.49E+06 3.57E+06 3.58E+06 3.57E+06 7.24E+06 6.93E+06 6.75E+06 7.11E+06 6.52E+06 6.75E+06 1.07E+07 1.27E+07 1.10E+07 1.41E+07 1.81E+07 1.57E+07 1.37E+07 1.65E+07 1.32E+07 6.39E+06 6.48E+06 5.52E+06 4.77E+06 5.29E+06 5.02E+06 7.04E+06 6.64E+06 7.68E+06 1.35E+07 1.53E+07 1.31E+07 9.08E+06 9.49E+06 9.28E+06 8.32E+06 7.72E+06 1.12E+07 6.39E+06 6.79E+06 5.63E+06 1.77E+07 1.68E+07 1.68E+07 Imidazolelactic acid 4.63E+04 1.67E+07 1.67E+07 1.63E+07 1.64E+07 1.53E+07 1.49E+07 1.38E+07 1.40E+07 1.35E+07 1.80E+07 1.10E+07 1.73E+07 1.04E+07 5.84E+06 9.27E+06 2.08E+07 1.01E+07 1.62E+07 1.92E+07 1.45E+07 2.00E+07 1.51E+07 1.16E+07 1.58E+07 1.39E+07 9.99E+06 1.47E+07 4.02E+07 2.93E+07 3.40E+07 2.18E+07 1.60E+07 2.15E+07 1.62E+07 9.58E+06 1.73E+07 1.26E+07 1.15E+07 1.16E+07 2.00E+07 2.96E+07 2.31E+07 1.90E+07 1.90E+07 1.67E+07 8.91E+06 1.13E+07 9.75E+06 7.20E+06 7.95E+06 8.17E+06 8.86E+06 1.09E+07 8.30E+06 1.07E+07 1.34E+07 1.16E+07 1.20E+07 1.27E+07 1.52E+07 1.28E+07 1.51E+07 1.19E+07 1.60E+07 1.67E+07 1.38E+07 INDOLEPROPIONIC ACID 3.79E+03 2.84E+06 2.85E+06 2.76E+06 2.72E+06 2.56E+06 2.43E+06 2.21E+06 2.26E+06 2.25E+06 2.38E+06 2.86E+06 2.49E+06 1.40E+06 1.50E+06 1.29E+06 3.24E+06 3.65E+06 2.25E+06 1.28E+06 1.18E+06 6.95E+05 1.53E+06 1.83E+06 1.62E+06 4.83E+05 8.01E+05 6.28E+05 5.75E+06 7.24E+06 6.09E+06 2.23E+06 2.94E+06 3.18E+06 1.91E+06 2.44E+06 1.58E+06 1.31E+06 1.84E+06 1.21E+06 9.15E+05 1.16E+06 8.11E+05 1.14E+06 1.20E+06 9.33E+05 1.45E+06 1.53E+06 1.41E+06 2.56E+06 2.04E+06 2.08E+06 1.07E+06 1.25E+06 1.18E+06 8.24E+06 8.61E+06 8.89E+06 2.64E+06 2.49E+06 1.95E+06 4.00E+06 3.69E+06 2.99E+06 2.59E+06 2.47E+06 1.78E+06 Isocitric acid 6.65E+04 5.45E+06 4.88E+06 5.04E+06 6.32E+06 4.83E+06 8.98E+06 8.92E+06 5.78E+06 4.61E+06 8.30E+06 1.99E+07 1.88E+07 5.51E+06 5.11E+06 4.40E+06 1.68E+07 1.74E+07 6.87E+06 8.07E+06 1.48E+07 4.29E+06 5.77E+06 6.89E+06 4.35E+06 4.47E+06 5.72E+06 4.34E+06 5.17E+06 1.41E+07 1.18E+07 6.70E+06 1.37E+07 4.45E+06 2.34E+06 1.15E+06 1.85E+06 2.98E+06 3.30E+06 1.15E+06 4.46E+06 4.71E+06 1.86E+07 4.52E+06 8.82E+06 7.70E+06 3.42E+06 4.37E+06 8.83E+06 3.13E+06 4.39E+06 5.47E+06 1.10E+07 3.59E+06 1.00E+07 8.45E+06 8.88E+06 5.64E+06 7.23E+06 6.03E+06 4.32E+06 2.78E+06 2.74E+06 3.03E+06 1.30E+06 1.74E+06 2.37E+06 L-(+)-Citrulline 3.26E+04 2.32E+08 2.47E+08 2.55E+08 2.49E+08 2.43E+08 2.35E+08 2.22E+08 2.22E+08 2.16E+08 1.33E+08 2.14E+08 1.87E+08 2.19E+08 1.94E+08 2.26E+08 2.98E+08 2.97E+08 2.61E+08 1.59E+08 2.50E+08 2.26E+08 2.29E+08 2.12E+08 2.25E+08 1.79E+08 1.80E+08 1.67E+08 2.13E+08 2.43E+08 2.31E+08 3.14E+08 2.89E+08 1.83E+08 2.11E+08 2.19E+08 2.31E+08 2.51E+08 2.99E+08 1.72E+08 3.09E+08 3.52E+08 3.12E+08 2.11E+08 2.38E+08 2.00E+08 2.80E+08 2.39E+08 2.52E+08 1.90E+08 1.79E+08 1.95E+08 1.54E+08 1.99E+08 1.89E+08 2.34E+08 2.55E+08 2.67E+08 2.28E+08 2.24E+08 2.55E+08 2.14E+08 1.89E+08 1.58E+08 2.15E+08 2.36E+08 2.32E+08 L(+)-Ornithine 6.43E+04 1.07E+08 8.66E+07 8.83E+07 7.95E+07 8.19E+07 7.74E+07 5.59E+07 7.87E+07 7.75E+07 1.13E+08 5.49E+07 7.96E+07 5.78E+07 5.02E+07 4.88E+07 9.94E+07 1.13E+08 1.30E+08 1.23E+08 6.02E+07 7.61E+07 8.69E+07 6.17E+07 7.98E+07 5.17E+07 4.08E+07 4.67E+07 8.92E+07 5.94E+07 5.26E+07 9.23E+07 6.80E+07 5.72E+07 1.77E+08 1.37E+08 1.50E+08 1.54E+08 1.50E+08 8.65E+07 7.33E+07 4.06E+07 2.86E+07 1.10E+08 6.22E+07 5.78E+07 6.33E+07 5.21E+07 3.84E+07 9.23E+07 5.92E+07 5.46E+07 6.39E+07 8.11E+07 6.03E+07 5.86E+07 6.88E+07 7.07E+07 7.23E+07 6.01E+07 7.27E+07 1.73E+08 1.44E+08 1.16E+08 1.65E+08 1.60E+08 1.73E+08 Laurolactam 1.77E+06 8.53E+06 8.05E+06 7.22E+06 6.75E+06 6.21E+06 5.97E+06 5.20E+06 5.25E+06 4.60E+06 4.44E+06 8.58E+06 4.36E+06 3.85E+06 1.08E+07 4.13E+06 7.81E+05 8.19E+06 3.30E+06 6.47E+05 3.82E+06 3.63E+06 2.48E+06 1.65E+06 3.41E+06 9.88E+05 2.02E+06 1.19E+06 5.10E+06 1.23E+06 1.05E+06 7.78E+05 2.90E+06 4.64E+06 5.02E+05 1.27E+06 6.64E+05 5.81E+05 6.80E+05 1.13E+06 4.63E+06 4.06E+06 6.71E+06 3.93E+05 2.92E+06 4.63E+05 2.25E+06 1.25E+06 4.66E+05 1.05E+06 3.56E+06 7.69E+05 1.75E+06 3.63E+05 9.12E+05 2.02E+06 2.14E+06 1.84E+06 1.20E+06 1.01E+06 1.80E+06 4.77E+05 1.39E+06 9.11E+05 5.97E+05 1.04E+06 4.27E+05 L-Carnitine 5.97E+04 5.49E+06 4.33E+06 4.32E+06 4.45E+06 4.14E+06 3.87E+06 3.97E+06 3.62E+06 3.62E+06 4.40E+06 4.51E+06 4.22E+06 1.34E+06 1.43E+06 1.46E+06 6.73E+06 8.04E+06 6.55E+06 2.47E+06 2.41E+06 2.45E+06 5.70E+06 6.18E+06 5.59E+06 4.85E+06 4.84E+06 4.17E+06 3.81E+05 4.11E+05 8.14E+05 4.69E+06 4.52E+06 5.25E+06 7.63E+05 1.13E+06 9.64E+05 2.36E+06 2.95E+06 2.42E+06 1.49E+06 2.10E+06 1.65E+06 1.68E+07 1.73E+07 1.53E+07 2.79E+05 3.40E+05 2.81E+05 8.82E+05 1.06E+06 9.24E+05 2.21E+06 2.88E+06 2.56E+06 4.75E+06 4.22E+06 4.19E+06 1.31E+07 1.39E+07 1.23E+07 9.09E+05 1.04E+06 7.07E+05 5.75E+05 6.65E+05 6.18E+05 L-Cysteine-S-sulfate 4.23E+03 1.74E+06 1.75E+06 1.79E+06 1.81E+06 1.81E+06 1.81E+06 1.64E+06 1.63E+06 1.39E+06 3.42E+05 2.01E+06 3.52E+05 1.35E+06 8.87E+05 1.45E+06 4.54E+06 7.50E+05 2.11E+06 9.98E+05 1.92E+06 3.35E+06 2.82E+06 1.14E+06 3.05E+06 3.44E+06 7.59E+05 3.41E+06 3.55E+06 1.32E+06 2.51E+06 3.61E+06 1.59E+06 2.34E+06 4.55E+04 1.60E+05 6.01E+04 5.03E+05 2.26E+05 1.08E+05 9.34E+05 2.70E+06 2.97E+06 1.57E+06 3.15E+06 2.61E+06 1.74E+04 4.11E+04 7.38E+04 2.17E+06 2.16E+06 2.74E+06 2.94E+06 3.36E+06 2.97E+06 3.23E+06 2.76E+06 3.32E+06 3.10E+06 2.56E+06 5.29E+05 1.83E+05 1.01E+05 1.70E+05 5.33E+04 3.61E+04 5.27E+04 L-Cystine 2.97E+04 4.57E+06 7.76E+06 6.95E+06 6.64E+06 7.01E+06 6.33E+06 5.60E+06 5.73E+06 5.19E+06 1.18E+05 4.02E+05 5.41E+04 2.39E+05 3.74E+05 2.75E+05 1.79E+07 1.40E+07 2.21E+07 1.02E+07 1.02E+07 1.15E+07 1.00E+07 1.09E+07 1.01E+07 1.29E+07 1.51E+07 1.69E+07 1.60E+07 1.72E+07 1.58E+07 1.64E+07 1.48E+07 1.49E+07 2.89E+05 4.71E+05 3.37E+05 3.97E+05 7.57E+05 1.36E+05 6.12E+05 5.77E+05 1.58E+06 4.88E+05 4.73E+05 7.17E+05 3.19E+04 3.24E+04 3.41E+04 5.54E+06 8.36E+06 1.19E+07 1.53E+07 1.28E+07 1.30E+07 1.05E+07 1.35E+07 1.53E+07 1.25E+07 1.33E+07 1.23E+05 4.83E+05 1.63E+05 1.03E+06 1.27E+05 1.10E+05 2.17E+05 lenticin 2.71E+04 1.69E+08 1.67E+08 1.58E+08 1.48E+08 1.44E+08 1.33E+08 1.23E+08 1.26E+08 1.23E+08 5.18E+08 4.84E+08 4.86E+08 1.24E+07 1.19E+07 1.21E+07 3.18E+07 3.47E+07 2.86E+07 2.68E+08 2.77E+08 2.86E+08 1.92E+08 1.99E+08 1.94E+08 3.36E+05 4.43E+05 3.49E+05 3.94E+08 3.91E+08 3.89E+08 4.65E+05 4.79E+05 3.65E+05 8.89E+06 1.09E+07 1.02E+07 6.82E+07 7.64E+07 7.29E+07 6.35E+07 7.19E+07 7.25E+07 5.59E+06 5.67E+06 5.27E+06 7.95E+06 9.11E+06 9.75E+06 1.88E+07 1.57E+07 2.10E+07 6.77E+07 7.52E+07 6.13E+07 8.45E+07 8.62E+07 9.49E+07 6.74E+07 6.61E+07 1.47E+08 3.03E+08 3.27E+08 2.76E+08 3.78E+08 3.70E+08 3.50E+08 L-Ergothioneine 2.46E+04 2.05E+07 2.37E+07 2.48E+07 2.55E+07 2.47E+07 2.36E+07 2.15E+07 2.06E+07 2.03E+07 2.06E+07 7.41E+07 6.26E+07 1.47E+07 1.90E+07 1.91E+07 7.66E+07 7.31E+07 6.66E+07 1.64E+07 3.51E+07 1.73E+07 2.08E+07 2.18E+07 1.83E+07 1.36E+07 2.17E+07 1.36E+07 2.24E+07 2.63E+07 2.53E+07 1.84E+07 2.05E+07 8.27E+06 2.14E+06 6.84E+06 1.73E+06 4.29E+07 5.59E+07 8.46E+06 3.31E+07 3.03E+07 3.16E+07 1.21E+07 1.20E+07 1.04E+07 3.66E+06 3.32E+06 8.01E+06 2.94E+07 1.99E+07 2.81E+07 2.86E+07 2.81E+07 2.45E+07 1.06E+07 1.36E+07 1.10E+07 4.68E+07 4.00E+07 2.13E+07 3.08E+06 1.82E+06 8.91E+05 3.00E+06 5.58E+06 7.03E+06 L-Glutamic acid 5.32E+05 1.32E+08 1.41E+08 1.44E+08 1.35E+08 1.35E+08 1.34E+08 1.26E+08 1.27E+08 1.24E+08 1.22E+08 2.69E+08 1.43E+08 2.75E+08 2.95E+08 2.10E+08 7.26E+07 5.70E+07 6.21E+07 5.61E+07 1.08E+08 6.43E+07 6.84E+07 4.66E+07 4.95E+07 9.16E+07 7.83E+07 6.66E+07 4.15E+07 5.30E+07 6.21E+07 8.34E+07 6.67E+07 7.92E+07 1.51E+08 3.09E+08 1.59E+08 1.20E+08 1.86E+08 7.40E+07 2.04E+08 1.76E+08 1.73E+08 1.69E+08 1.84E+08 1.54E+08 1.57E+08 1.89E+08 1.87E+08 8.34E+07 9.69E+07 6.27E+07 4.38E+07 8.52E+07 4.00E+07 1.00E+08 1.13E+08 1.12E+08 4.69E+07 7.79E+07 1.20E+08 1.60E+08 1.40E+08 1.22E+08 1.32E+08 1.54E+08 1.30E+08 Linoleic Acid 9.76E+05 1.14E+08 1.15E+08 1.16E+08 1.20E+08 1.08E+08 1.04E+08 1.05E+08 9.81E+07 1.01E+08 1.38E+07 1.23E+07 1.12E+07 7.16E+07 7.44E+07 7.56E+07 6.75E+07 6.44E+07 5.16E+07 8.50E+07 9.33E+07 9.08E+07 9.17E+07 1.10E+08 1.01E+08 1.27E+08 1.48E+08 1.30E+08 1.59E+08 1.78E+08 1.57E+08 1.69E+08 1.77E+08 1.70E+08 7.88E+07 9.14E+07 7.57E+07 8.52E+07 9.95E+07 9.50E+07 9.00E+07 9.53E+07 9.02E+07 1.53E+08 1.34E+08 1.51E+08 1.56E+08 1.69E+08 1.74E+08 9.74E+07 8.37E+07 1.00E+08 8.22E+07 8.41E+07 7.87E+07 7.91E+07 7.56E+07 7.41E+07 1.09E+08 1.08E+08 9.52E+07 6.30E+07 6.28E+07 5.09E+07 2.52E+08 2.51E+08 2.36E+08 L-Methionine sulfoxide 2.84E+04 4.57E+07 5.51E+07 5.89E+07 5.80E+07 5.58E+07 5.30E+07 5.10E+07 4.88E+07 4.88E+07 9.48E+07 8.74E+07 1.31E+08 7.50E+07 4.31E+07 4.49E+07 5.21E+07 3.21E+07 3.39E+07 1.79E+07 2.80E+07 1.29E+07 5.38E+07 4.06E+07 3.25E+07 4.89E+07 3.42E+07 2.74E+07 4.75E+07 4.01E+07 2.91E+07 4.86E+07 3.82E+07 1.17E+07 7.46E+07 3.67E+07 5.28E+07 5.51E+07 6.10E+07 2.25E+07 5.37E+07 4.59E+07 3.26E+07 4.88E+07 2.59E+07 2.26E+07 7.57E+07 6.55E+07 5.56E+07 4.09E+07 3.10E+07 2.52E+07 3.95E+07 4.46E+07 2.68E+07 4.38E+07 4.47E+07 3.72E+07 4.16E+07 3.16E+07 5.41E+07 6.82E+07 7.47E+07 3.21E+07 8.65E+07 7.09E+07 4.80E+07 LPA 16:0 4.10E+04 2.86E+07 2.92E+07 2.84E+07 2.80E+07 2.90E+07 2.87E+07 2.61E+07 2.65E+07 2.78E+07 2.60E+07 2.85E+07 2.71E+07 2.77E+07 2.94E+07 2.69E+07 2.61E+07 2.83E+07 2.32E+07 2.91E+07 3.08E+07 3.19E+07 2.66E+07 2.80E+07 2.52E+07 3.03E+07 3.03E+07 2.48E+07 2.68E+07 2.87E+07 2.58E+07 2.63E+07 2.90E+07 2.48E+07 3.03E+07 3.28E+07 2.75E+07 3.63E+07 3.86E+07 3.12E+07 3.17E+07 3.44E+07 3.18E+07 3.43E+07 3.27E+07 2.88E+07 2.49E+07 2.65E+07 2.57E+07 2.84E+07 2.48E+07 2.54E+07 3.07E+07 3.12E+07 2.66E+07 2.91E+07 2.88E+07 2.95E+07 3.51E+07 3.32E+07 2.82E+07 3.38E+07 3.15E+07 3.28E+07 1.95E+07 1.83E+07 1.57E+07 LPC 14:0-SN1 2.41E+04 2.64E+07 2.72E+07 2.71E+07 2.60E+07 2.72E+07 2.52E+07 2.28E+07 2.07E+07 2.19E+07 1.60E+07 2.11E+07 1.85E+07 4.29E+07 4.11E+07 3.74E+07 2.69E+07 3.10E+07 2.16E+07 2.31E+07 2.66E+07 2.18E+07 1.66E+07 1.82E+07 1.57E+07 2.00E+07 2.64E+07 1.78E+07 2.62E+07 2.98E+07 2.40E+07 1.45E+07 1.54E+07 1.44E+07 4.52E+07 5.14E+07 4.07E+07 1.81E+07 2.35E+07 1.90E+07 3.28E+07 3.91E+07 3.97E+07 1.93E+07 2.06E+07 2.29E+07 2.90E+07 3.10E+07 2.61E+07 1.65E+07 1.74E+07 1.82E+07 2.06E+07 2.37E+07 1.76E+07 2.61E+07 2.39E+07 2.60E+07 2.67E+07 2.41E+07 1.87E+07 3.20E+07 3.26E+07 2.85E+07 1.50E+07 1.59E+07 1.26E+07 LPC 17:0-SN1 5.00E+04 3.42E+07 3.37E+07 3.23E+07 3.33E+07 3.32E+07 3.16E+07 2.85E+07 2.74E+07 2.64E+07 2.37E+07 2.86E+07 2.36E+07 3.36E+07 3.55E+07 2.97E+07 4.80E+07 4.98E+07 4.07E+07 2.78E+07 2.96E+07 2.50E+07 2.63E+07 3.01E+07 2.48E+07 3.14E+07 3.44E+07 2.52E+07 2.12E+07 2.00E+07 1.61E+07 3.38E+07 3.68E+07 2.98E+07 3.59E+07 4.44E+07 3.12E+07 3.11E+07 3.59E+07 2.87E+07 3.44E+07 3.82E+07 3.82E+07 3.16E+07 2.79E+07 2.75E+07 3.63E+07 3.79E+07 3.74E+07 2.45E+07 2.29E+07 2.23E+07 3.66E+07 4.04E+07 3.29E+07 2.76E+07 2.65E+07 2.60E+07 4.06E+07 3.61E+07 3.56E+07 3.93E+07 3.97E+07 3.23E+07 8.36E+06 7.11E+06 7.27E+06 LPC 18:0-SN1 3.59E+05 4.44E+08 4.53E+08 4.40E+08 4.34E+08 4.27E+08 4.19E+08 3.80E+08 3.67E+08 3.33E+08 4.68E+08 4.84E+08 4.25E+08 3.88E+08 3.90E+08 3.55E+08 5.21E+08 5.53E+08 4.35E+08 4.23E+08 4.19E+08 4.00E+08 3.24E+08 3.86E+08 3.46E+08 3.26E+08 3.75E+08 2.86E+08 4.10E+08 4.49E+08 3.84E+08 4.69E+08 5.12E+08 4.23E+08 3.23E+08 3.93E+08 2.91E+08 4.45E+08 4.80E+08 3.97E+08 4.25E+08 5.11E+08 4.45E+08 4.68E+08 4.55E+08 4.35E+08 3.12E+08 3.63E+08 3.12E+08 3.50E+08 3.14E+08 3.50E+08 4.59E+08 5.22E+08 4.29E+08 3.78E+08 3.63E+08 3.57E+08 4.79E+08 4.17E+08 4.73E+08 5.09E+08 4.79E+08 3.98E+08 2.38E+08 2.30E+08 1.98E+08 LPC 18:2-SN1 9.56E+04 7.80E+08 7.79E+08 7.57E+08 7.54E+08 7.40E+08 7.18E+08 6.60E+08 6.42E+08 6.12E+08 9.07E+08 9.73E+08 8.27E+08 5.07E+08 4.99E+08 4.99E+08 1.23E+09 1.06E+09 6.58E+08 7.39E+08 7.73E+08 6.63E+08 9.83E+08 1.02E+09 7.19E+08 4.70E+08 5.34E+08 4.61E+08 1.01E+09 1.11E+09 7.11E+08 1.19E+09 1.00E+09 8.76E+08 5.27E+08 6.59E+08 5.61E+08 7.02E+08 7.03E+08 5.78E+08 6.29E+08 6.66E+08 6.25E+08 6.28E+08 5.67E+08 5.27E+08 5.53E+08 5.23E+08 4.61E+08 5.94E+08 5.65E+08 5.03E+08 6.54E+08 6.87E+08 5.38E+08 5.45E+08 4.54E+08 4.37E+08 6.76E+08 5.44E+08 6.80E+08 6.24E+08 5.90E+08 4.98E+08 1.35E+09 1.36E+09 8.06E+08 LPC 20:3-SN1 1.03E+04 3.86E+07 3.68E+07 3.84E+07 3.69E+07 3.69E+07 3.63E+07 3.36E+07 3.12E+07 2.81E+07 3.66E+07 3.74E+07 3.36E+07 3.10E+07 3.58E+07 4.21E+07 3.85E+07 3.31E+07 2.75E+07 3.30E+07 3.07E+07 3.14E+07 2.51E+07 2.10E+07 2.20E+07 2.43E+07 2.73E+07 3.13E+07 4.57E+07 4.59E+07 3.58E+07 2.39E+07 2.11E+07 2.06E+07 4.06E+07 4.60E+07 4.97E+07 3.17E+07 2.30E+07 2.32E+07 3.93E+07 4.71E+07 5.18E+07 3.84E+07 3.64E+07 4.38E+07 2.47E+07 2.61E+07 2.49E+07 2.98E+07 2.46E+07 3.11E+07 3.17E+07 3.20E+07 2.83E+07 4.07E+07 3.35E+07 4.15E+07 3.92E+07 3.07E+07 3.73E+07 3.36E+07 3.33E+07 3.16E+07 5.18E+07 4.69E+07 3.98E+07 LPC 20:4-SN1 1.77E+04 1.80E+08 1.71E+08 1.68E+08 1.66E+08 1.65E+08 1.55E+08 1.55E+08 1.51E+08 1.49E+08 1.15E+08 1.22E+08 1.17E+08 1.11E+08 1.14E+08 1.36E+08 1.83E+08 1.53E+08 1.36E+08 1.66E+08 1.65E+08 1.76E+08 1.86E+08 1.62E+08 1.57E+08 1.43E+08 1.57E+08 1.71E+08 1.88E+08 1.83E+08 1.47E+08 1.75E+08 1.43E+08 1.59E+08 1.81E+08 1.98E+08 2.42E+08 2.07E+08 1.58E+08 1.66E+08 1.37E+08 1.47E+08 1.68E+08 2.11E+08 1.98E+08 3.09E+08 1.53E+08 1.51E+08 1.43E+08 1.50E+08 1.29E+08 1.44E+08 1.83E+08 1.74E+08 1.56E+08 1.58E+08 1.42E+08 1.68E+08 1.46E+08 1.59E+08 1.55E+08 1.12E+08 1.11E+08 1.09E+08 2.62E+08 2.55E+08 2.20E+08 LPC O-16:0 1.83E+05 1.54E+07 1.51E+07 1.55E+07 1.30E+07 1.26E+07 1.37E+07 1.27E+07 1.19E+07 1.11E+07 9.05E+06 9.18E+06 9.84E+06 1.12E+07 1.20E+07 1.07E+07 1.17E+07 1.23E+07 8.29E+06 1.57E+07 1.60E+07 1.72E+07 1.11E+07 1.14E+07 1.05E+07 1.38E+07 1.56E+07 1.29E+07 8.53E+06 1.02E+07 6.91E+06 1.48E+07 1.59E+07 1.42E+07 1.74E+07 1.87E+07 1.46E+07 1.61E+07 1.75E+07 1.13E+07 1.30E+07 1.40E+07 1.35E+07 1.51E+07 1.42E+07 1.55E+07 1.25E+07 1.46E+07 1.32E+07 1.53E+07 1.57E+07 1.37E+07 1.67E+07 1.84E+07 1.73E+07 1.40E+07 1.59E+07 1.67E+07 1.44E+07 1.63E+07 1.28E+07 1.71E+07 1.27E+07 1.13E+07 7.15E+06 8.50E+06 7.53E+06 LPC O-18:1 2.94E+04 1.05E+07 9.35E+06 1.05E+07 1.02E+07 1.10E+07 9.48E+06 7.87E+06 8.90E+06 8.77E+06 1.29E+07 1.24E+07 1.11E+07 7.48E+06 6.59E+06 6.95E+06 7.36E+06 8.40E+06 6.39E+06 9.77E+06 9.93E+06 9.37E+06 8.34E+06 1.01E+07 9.05E+06 8.36E+06 8.20E+06 8.19E+06 1.18E+07 1.03E+07 9.02E+06 1.25E+07 1.11E+07 1.19E+07 8.53E+06 1.03E+07 8.26E+06 9.71E+06 1.13E+07 9.32E+06 8.09E+06 8.55E+06 8.97E+06 1.16E+07 1.14E+07 1.04E+07 9.09E+06 9.49E+06 8.90E+06 9.74E+06 8.41E+06 8.39E+06 1.02E+07 1.32E+07 9.87E+06 8.67E+06 8.39E+06 7.99E+06 1.04E+07 9.53E+06 1.04E+07 1.08E+07 1.01E+07 7.77E+06 9.82E+06 1.13E+07 1.04E+07 LPE 16:0 2.78E+03 7.38E+06 7.36E+06 7.33E+06 6.44E+06 6.36E+06 6.02E+06 5.74E+06 5.96E+06 6.05E+06 5.12E+06 5.84E+06 6.04E+06 5.81E+06 6.43E+06 5.67E+06 6.08E+06 6.57E+06 5.15E+06 7.16E+06 7.00E+06 6.20E+06 6.69E+06 6.71E+06 5.55E+06 5.89E+06 5.58E+06 5.13E+06 6.13E+06 5.87E+06 4.56E+06 6.60E+06 6.18E+06 5.56E+06 7.70E+06 9.34E+06 6.41E+06 9.34E+06 9.74E+06 8.08E+06 8.55E+06 8.93E+06 7.01E+06 8.97E+06 7.12E+06 6.32E+06 5.47E+06 4.72E+06 4.75E+06 1.18E+07 6.66E+06 5.34E+06 6.66E+06 7.25E+06 5.62E+06 5.49E+06 5.46E+06 5.55E+06 8.02E+06 7.71E+06 5.63E+06 9.76E+06 9.34E+06 5.99E+06 5.34E+06 4.76E+06 3.32E+06 LPE 18:1 5.46E+04 2.12E+07 2.08E+07 1.93E+07 1.96E+07 2.03E+07 2.05E+07 1.93E+07 1.79E+07 1.70E+07 2.41E+07 2.79E+07 2.70E+07 1.92E+07 2.03E+07 1.81E+07 3.79E+07 2.73E+07 1.75E+07 3.12E+07 3.45E+07 2.43E+07 2.41E+07 2.42E+07 1.85E+07 9.55E+06 9.38E+06 1.15E+07 3.04E+07 3.27E+07 2.28E+07 3.16E+07 2.58E+07 3.45E+07 1.27E+07 2.20E+07 1.54E+07 1.43E+07 1.51E+07 1.26E+07 1.43E+07 1.52E+07 1.48E+07 1.90E+07 1.96E+07 1.58E+07 1.51E+07 1.28E+07 1.28E+07 1.41E+07 8.05E+06 1.40E+07 8.35E+06 7.45E+06 9.93E+06 1.69E+07 1.38E+07 1.56E+07 1.76E+07 1.28E+07 1.80E+07 2.65E+07 2.78E+07 1.58E+07 4.01E+07 3.62E+07 2.94E+07 LPE 18:2 1.01E+04 3.44E+07 3.54E+07 3.28E+07 3.44E+07 3.35E+07 3.14E+07 2.92E+07 2.96E+07 3.15E+07 4.42E+07 4.54E+07 4.52E+07 2.84E+07 2.78E+07 2.65E+07 5.71E+07 4.06E+07 4.34E+07 3.67E+07 3.73E+07 2.68E+07 3.87E+07 3.91E+07 3.43E+07 1.81E+07 1.86E+07 2.66E+07 4.64E+07 4.49E+07 3.40E+07 5.25E+07 3.81E+07 4.28E+07 2.72E+07 3.14E+07 3.19E+07 2.77E+07 3.26E+07 3.51E+07 2.95E+07 3.52E+07 3.61E+07 2.97E+07 2.90E+07 2.19E+07 2.10E+07 1.85E+07 1.84E+07 2.68E+07 3.64E+07 3.02E+07 1.61E+07 1.60E+07 2.05E+07 2.13E+07 1.65E+07 2.03E+07 2.87E+07 2.15E+07 2.73E+07 3.82E+07 3.26E+07 2.33E+07 5.12E+07 4.46E+07 2.76E+07 LPE 20:4 2.82E+03 1.06E+07 9.49E+06 9.65E+06 9.56E+06 8.60E+06 8.40E+06 7.91E+06 7.71E+06 7.73E+06 7.69E+06 8.15E+06 7.50E+06 7.52E+06 8.52E+06 8.74E+06 9.68E+06 8.01E+06 1.14E+07 1.18E+07 1.07E+07 9.46E+06 8.17E+06 8.53E+06 1.09E+07 7.87E+06 8.89E+06 1.26E+07 8.91E+06 8.53E+06 9.01E+06 8.88E+06 7.24E+06 1.11E+07 9.94E+06 1.09E+07 1.17E+07 1.05E+07 9.46E+06 1.27E+07 8.05E+06 9.39E+06 1.12E+07 1.26E+07 1.25E+07 1.02E+07 8.27E+06 8.09E+06 8.76E+06 7.82E+06 6.80E+06 9.35E+06 6.45E+06 5.55E+06 7.96E+06 6.02E+06 6.05E+06 7.77E+06 7.42E+06 7.04E+06 8.90E+06 6.39E+06 6.90E+06 5.47E+06 9.96E+06 7.51E+06 9.75E+06 L-Pyroglutamic acid 8.81E+05 3.96E+06 3.63E+06 3.44E+06 3.36E+06 3.14E+06 2.76E+06 2.71E+06 2.55E+06 2.50E+06 3.84E+06 3.06E+06 3.66E+06 2.91E+06 2.64E+06 2.91E+06 4.33E+06 4.23E+06 3.80E+06 4.29E+06 3.56E+06 3.55E+06 3.21E+06 4.44E+06 4.98E+06 2.92E+06 3.75E+06 4.85E+06 4.59E+06 4.60E+06 4.17E+06 3.31E+06 2.73E+06 3.18E+06 3.65E+06 3.79E+06 4.04E+06 3.06E+06 3.25E+06 3.27E+06 2.40E+06 2.56E+06 2.67E+06 2.77E+06 2.56E+06 2.38E+06 2.23E+06 2.65E+06 2.77E+06 2.95E+06 2.37E+06 3.52E+06 3.18E+06 2.79E+06 2.65E+06 2.59E+06 2.77E+06 2.95E+06 3.23E+06 2.59E+06 2.55E+06 2.70E+06 2.77E+06 2.32E+06 3.09E+06 2.50E+06 2.83E+06 methyl {[(2-oxo-2H-pyran-6-yl)carbonyl]amino}methanethioate 5.85E+03 2.07E+07 1.92E+07 1.83E+07 1.78E+07 1.71E+07 1.57E+07 1.51E+07 1.46E+07 1.42E+07 2.21E+07 2.31E+07 1.84E+07 1.45E+07 1.59E+07 1.40E+07 2.17E+07 2.86E+07 1.59E+07 1.25E+07 1.23E+07 9.95E+06 1.42E+07 1.50E+07 8.02E+06 1.27E+07 1.48E+07 8.70E+06 2.22E+07 2.38E+07 1.66E+07 8.46E+06 8.69E+06 7.58E+06 3.93E+07 5.49E+07 3.29E+07 2.45E+07 3.55E+07 2.41E+07 2.48E+07 2.34E+07 1.37E+07 1.78E+07 1.57E+07 1.17E+07 2.27E+07 2.35E+07 2.06E+07 7.83E+06 6.43E+06 5.74E+06 2.18E+07 2.27E+07 1.35E+07 8.11E+06 7.89E+06 5.22E+06 1.37E+07 1.29E+07 1.70E+07 8.26E+06 6.81E+06 4.12E+06 4.89E+06 6.69E+06 5.61E+06 Methyl isonicotinate 3.91E+05 8.69E+07 8.42E+07 8.16E+07 7.89E+07 7.69E+07 7.24E+07 6.91E+07 6.93E+07 6.68E+07 7.53E+07 2.15E+08 1.32E+08 2.35E+07 6.20E+07 2.98E+07 7.03E+07 2.20E+08 7.09E+07 3.12E+07 7.93E+07 3.99E+07 2.19E+08 3.78E+08 1.65E+08 1.35E+07 2.23E+07 9.48E+06 7.90E+07 1.55E+08 6.40E+07 3.22E+07 5.98E+07 2.99E+07 4.33E+07 1.23E+08 4.72E+07 9.32E+07 2.34E+08 9.56E+07 8.21E+07 8.19E+07 7.62E+07 4.02E+07 3.37E+07 3.75E+07 2.24E+07 1.82E+07 1.70E+07 7.79E+06 1.13E+07 1.31E+07 4.78E+07 5.01E+07 3.90E+07 5.54E+07 7.32E+07 7.79E+07 6.16E+07 6.99E+07 9.35E+07 1.63E+07 2.03E+07 1.09E+07 8.57E+07 1.04E+08 7.53E+07 Methylimidazoleacetic acid 3.48E+05 4.68E+06 4.23E+06 4.10E+06 3.90E+06 3.75E+06 3.28E+06 3.34E+06 3.25E+06 3.10E+06 3.45E+06 2.86E+06 3.27E+06 3.93E+06 3.32E+06 3.78E+06 4.15E+06 3.77E+06 3.77E+06 3.86E+06 3.31E+06 3.71E+06 4.06E+06 3.87E+06 3.76E+06 3.90E+06 3.71E+06 3.78E+06 3.43E+06 3.53E+06 4.06E+06 5.95E+06 6.06E+06 6.16E+06 3.63E+06 3.66E+06 4.43E+06 6.32E+06 6.63E+06 7.29E+06 2.56E+06 2.91E+06 2.93E+06 3.07E+06 2.99E+06 2.77E+06 3.73E+06 3.85E+06 3.60E+06 2.66E+06 2.33E+06 3.32E+06 2.62E+06 2.58E+06 2.14E+06 3.53E+06 2.91E+06 2.99E+06 2.53E+06 2.79E+06 3.31E+06 2.83E+06 2.92E+06 2.53E+06 4.15E+06 3.73E+06 3.47E+06 MGH3_methylglyoxal-derived hydroimidazolone 3 2.17E+04 2.49E+06 2.45E+06 2.53E+06 2.41E+06 2.29E+06 2.22E+06 1.96E+06 2.16E+06 2.06E+06 6.85E+05 9.17E+05 9.97E+05 9.77E+05 1.65E+06 1.91E+06 1.62E+06 2.26E+06 1.40E+06 3.75E+06 7.34E+06 4.42E+06 2.02E+06 1.89E+06 1.21E+06 3.70E+05 5.37E+05 2.96E+05 2.20E+06 2.38E+06 1.67E+06 2.31E+06 2.48E+06 1.72E+06 9.16E+05 9.38E+05 8.46E+05 1.74E+06 2.25E+06 1.24E+06 1.20E+06 1.38E+06 7.00E+05 8.79E+05 6.63E+05 3.19E+05 5.20E+06 4.72E+06 3.55E+06 7.00E+06 9.35E+06 9.94E+06 4.41E+05 7.88E+05 8.53E+05 7.21E+05 8.98E+05 8.93E+05 1.20E+06 1.25E+06 1.36E+06 3.19E+06 3.82E+06 2.14E+06 3.39E+06 3.71E+06 2.72E+06 Myriocin 4.78E+05 1.46E+06 1.43E+06 1.45E+06 1.25E+06 1.43E+06 1.32E+06 1.14E+06 1.19E+06 1.05E+06 1.44E+06 2.71E+06 3.95E+06 9.45E+05 1.60E+06 1.38E+06 1.34E+06 3.43E+06 3.15E+06 1.17E+06 2.20E+06 4.27E+06 1.48E+06 2.22E+06 2.74E+06 3.60E+05 4.95E+05 5.28E+05 1.36E+06 2.47E+06 2.18E+06 1.03E+06 1.37E+06 1.24E+06 1.12E+06 1.97E+06 2.30E+06 9.36E+05 2.57E+06 4.13E+06 4.39E+05 3.52E+05 7.21E+05 3.01E+05 7.92E+05 4.19E+05 1.70E+06 4.90E+05 5.24E+05 4.10E+05 4.83E+05 6.98E+05 6.02E+05 5.39E+05 4.58E+05 8.10E+05 1.17E+06 2.09E+06 6.56E+05 8.04E+05 1.15E+06 1.78E+06 4.57E+05 1.63E+06 1.81E+06 2.46E+06 3.06E+06 N,N-Dimethyl-lysine; AIF; CE0; MS2Dec 3.43E+04 1.60E+07 1.92E+07 1.77E+07 1.67E+07 1.76E+07 1.57E+07 1.45E+07 1.49E+07 1.36E+07 1.44E+07 1.23E+07 1.15E+07 1.37E+07 1.18E+07 1.18E+07 1.63E+07 1.71E+07 1.60E+07 3.19E+07 2.74E+07 2.78E+07 1.30E+07 1.35E+07 1.03E+07 1.19E+07 1.47E+07 1.41E+07 3.63E+07 3.74E+07 3.09E+07 1.34E+07 1.21E+07 1.06E+07 1.78E+07 1.82E+07 1.58E+07 1.70E+07 2.35E+07 9.87E+06 2.31E+07 2.54E+07 2.31E+07 9.97E+06 7.91E+06 7.90E+06 2.17E+07 2.47E+07 2.69E+07 1.94E+07 2.05E+07 2.55E+07 7.40E+06 8.35E+06 6.39E+06 1.04E+07 1.18E+07 1.20E+07 1.08E+07 9.31E+06 1.02E+07 2.45E+07 2.44E+07 2.20E+07 1.32E+07 1.28E+07 1.10E+07 N4-Acetylcytidine 2.43E+04 9.21E+05 8.26E+05 7.85E+05 7.24E+05 7.39E+05 8.20E+05 6.70E+05 5.80E+05 5.96E+05 5.29E+05 5.74E+05 5.32E+05 8.79E+05 8.65E+05 9.57E+05 8.12E+05 8.31E+05 8.49E+05 7.80E+05 8.09E+05 8.39E+05 9.42E+05 8.66E+05 9.26E+05 7.08E+05 8.55E+05 8.70E+05 7.10E+05 6.49E+05 7.68E+05 6.42E+05 5.77E+05 6.85E+05 1.22E+06 1.25E+06 1.27E+06 5.47E+05 6.29E+05 6.42E+05 7.52E+05 9.56E+05 9.77E+05 4.94E+05 4.69E+05 5.47E+05 9.39E+05 1.05E+06 1.15E+06 4.45E+05 3.93E+05 5.33E+05 4.39E+05 4.90E+05 3.87E+05 6.81E+05 6.38E+05 7.26E+05 4.67E+05 4.27E+05 5.38E+05 3.12E+05 4.01E+05 3.62E+05 1.25E+06 1.16E+06 1.22E+06 N6,N6,N6-Trimethyl-L-lysine 3.42E+04 3.23E+07 2.68E+07 2.50E+07 2.49E+07 2.37E+07 2.30E+07 2.13E+07 2.10E+07 1.99E+07 1.58E+07 1.80E+07 1.68E+07 3.68E+07 3.02E+07 2.79E+07 2.13E+07 2.40E+07 1.94E+07 1.42E+07 2.17E+07 1.87E+07 2.20E+07 2.28E+07 1.97E+07 2.34E+07 2.79E+07 2.40E+07 2.03E+07 2.08E+07 1.81E+07 2.31E+07 2.08E+07 1.61E+07 3.19E+07 3.73E+07 3.16E+07 3.75E+07 4.01E+07 2.50E+07 2.00E+07 2.09E+07 1.85E+07 2.57E+07 2.17E+07 1.74E+07 5.26E+07 4.68E+07 3.44E+07 2.32E+07 1.80E+07 2.42E+07 1.53E+07 1.52E+07 1.13E+07 2.17E+07 2.04E+07 2.12E+07 1.73E+07 1.43E+07 2.32E+07 1.81E+07 1.89E+07 1.75E+07 1.87E+07 1.81E+07 1.97E+07 N6-Me-Adenosine 3.40E+04 1.09E+07 1.09E+07 1.05E+07 1.04E+07 1.01E+07 9.34E+06 9.02E+06 9.14E+06 8.81E+06 9.59E+06 9.12E+06 9.42E+06 9.02E+06 9.11E+06 1.00E+07 1.02E+07 1.12E+07 1.26E+07 9.54E+06 1.09E+07 1.04E+07 8.62E+06 9.85E+06 9.49E+06 1.05E+07 1.23E+07 1.23E+07 1.26E+07 1.31E+07 1.31E+07 9.11E+06 9.94E+06 1.02E+07 1.13E+07 1.26E+07 1.29E+07 1.03E+07 1.03E+07 1.07E+07 7.48E+06 9.76E+06 9.94E+06 8.16E+06 8.79E+06 8.90E+06 9.19E+06 1.03E+07 1.06E+07 8.32E+06 7.32E+06 9.97E+06 8.14E+06 9.12E+06 7.96E+06 9.12E+06 9.75E+06 9.90E+06 7.21E+06 7.39E+06 9.20E+06 7.55E+06 8.41E+06 7.23E+06 1.08E+07 1.06E+07 1.02E+07 N6-Methyl-lysine; AIF; CE10; MS2Dec 3.23E+04 7.45E+07 4.63E+07 4.08E+07 4.10E+07 3.70E+07 3.91E+07 3.63E+07 3.53E+07 3.27E+07 4.91E+07 2.13E+07 2.36E+07 2.52E+07 2.25E+07 2.37E+07 2.19E+07 3.86E+07 4.71E+07 1.32E+08 7.98E+07 8.01E+07 1.57E+07 1.41E+07 1.74E+07 1.79E+07 1.96E+07 2.15E+07 1.14E+08 7.83E+07 8.87E+07 1.35E+07 1.22E+07 1.55E+07 3.39E+07 3.08E+07 3.57E+07 4.13E+07 3.67E+07 2.32E+07 6.01E+07 4.54E+07 4.40E+07 1.74E+07 1.36E+07 1.29E+07 7.84E+07 8.21E+07 8.10E+07 1.09E+08 8.51E+07 8.21E+07 1.29E+07 1.51E+07 1.10E+07 1.77E+07 1.47E+07 1.74E+07 1.77E+07 1.37E+07 1.47E+07 1.23E+08 1.15E+08 1.06E+08 3.48E+07 3.01E+07 2.55E+07 N-Acetyl-L-carnosine 2.03E+04 9.22E+06 9.51E+06 9.64E+06 9.52E+06 9.50E+06 8.86E+06 8.61E+06 8.62E+06 8.59E+06 7.05E+06 7.46E+06 9.11E+06 1.43E+07 1.32E+07 1.62E+07 7.67E+06 8.30E+06 8.36E+06 1.05E+07 1.13E+07 9.73E+06 1.18E+07 1.06E+07 1.07E+07 8.55E+06 9.47E+06 1.12E+07 4.56E+06 4.59E+06 5.38E+06 1.19E+07 1.15E+07 9.93E+06 9.91E+06 1.02E+07 1.20E+07 4.83E+06 5.65E+06 5.01E+06 7.80E+06 8.93E+06 8.09E+06 8.00E+06 8.76E+06 8.10E+06 8.31E+06 8.91E+06 8.87E+06 9.34E+06 7.30E+06 8.85E+06 7.94E+06 8.01E+06 6.87E+06 1.15E+07 1.16E+07 1.38E+07 8.62E+06 8.02E+06 8.15E+06 7.28E+06 7.47E+06 8.17E+06 8.74E+06 8.73E+06 7.89E+06 Nicotinamide 1.26E+06 1.79E+07 1.27E+07 1.17E+07 1.32E+07 1.14E+07 1.08E+07 1.40E+07 9.50E+06 1.07E+07 2.67E+06 1.86E+06 9.70E+05 1.73E+06 5.97E+06 6.59E+06 1.01E+06 4.67E+06 2.96E+06 1.52E+06 3.31E+06 2.88E+06 2.02E+06 3.38E+06 1.16E+06 2.26E+06 6.02E+06 1.40E+06 2.42E+06 1.44E+06 1.74E+06 1.85E+06 3.49E+06 1.14E+06 2.76E+06 8.77E+06 2.08E+06 3.74E+06 7.44E+06 3.67E+06 5.49E+06 6.26E+06 1.83E+06 8.50E+05 8.00E+06 1.25E+06 1.38E+06 3.23E+08 2.39E+06 4.87E+06 9.56E+05 3.75E+06 3.33E+07 1.26E+06 5.47E+07 3.33E+06 1.60E+06 2.46E+06 1.61E+06 1.02E+06 3.50E+06 7.76E+06 3.52E+07 6.58E+06 3.13E+06 3.94E+06 5.82E+06 Nipecotic acid 3.30E+03 2.60E+05 3.15E+05 2.98E+05 2.69E+05 2.78E+05 2.53E+05 2.41E+05 2.27E+05 2.30E+05 1.52E+06 1.08E+06 1.42E+06 1.82E+05 1.26E+05 2.10E+05 2.55E+05 1.21E+05 1.86E+05 1.75E+05 1.16E+05 1.55E+05 3.73E+05 2.87E+05 3.07E+05 1.75E+05 1.13E+05 2.37E+05 6.08E+05 3.95E+05 5.24E+05 2.47E+05 9.75E+04 1.44E+05 1.09E+05 9.31E+04 1.15E+05 2.03E+05 1.22E+05 1.84E+05 1.55E+05 1.80E+05 1.33E+05 2.18E+05 1.29E+05 1.42E+05 1.16E+05 1.73E+05 1.21E+05 1.75E+05 1.16E+05 1.78E+05 8.47E+04 1.63E+05 9.84E+04 2.06E+05 1.48E+05 1.50E+05 1.31E+05 1.23E+05 1.24E+05 1.99E+05 1.90E+05 1.36E+05 1.57E+05 1.24E+05 1.35E+05 N-Methyl-2-pyrrolidone 1.01E+07 5.77E+07 5.79E+07 5.36E+07 5.50E+07 5.52E+07 5.06E+07 5.23E+07 5.33E+07 5.41E+07 4.44E+06 2.30E+06 5.14E+06 2.23E+07 1.76E+07 1.83E+07 5.80E+06 5.20E+06 6.54E+06 8.66E+06 8.88E+06 2.16E+07 3.18E+07 2.73E+07 2.05E+07 2.67E+07 2.29E+07 1.44E+07 1.02E+07 1.00E+07 1.18E+07 5.46E+08 5.16E+08 4.45E+08 1.52E+07 1.60E+07 1.16E+07 1.24E+08 1.36E+08 1.46E+08 8.54E+06 1.52E+07 1.89E+07 6.22E+07 4.04E+07 3.44E+07 2.58E+07 3.29E+07 5.21E+07 2.77E+07 2.13E+07 2.70E+07 3.48E+07 3.35E+07 3.11E+07 9.96E+06 7.46E+06 1.03E+07 3.88E+07 3.76E+07 3.05E+07 2.32E+07 2.22E+07 2.71E+07 6.77E+07 5.82E+07 6.14E+07 Nonanoic acid 3.07E+05 1.17E+06 1.25E+06 1.25E+06 1.22E+06 1.14E+06 1.20E+06 1.18E+06 1.09E+06 1.18E+06 7.69E+05 1.40E+06 6.45E+05 7.03E+05 1.69E+06 6.51E+05 3.86E+05 1.10E+06 6.92E+05 3.01E+05 6.44E+05 5.60E+05 4.98E+05 3.30E+05 5.02E+05 3.29E+05 4.68E+05 6.20E+05 9.75E+05 4.63E+05 3.44E+05 4.10E+05 4.67E+05 7.37E+05 3.72E+05 4.36E+05 3.47E+05 2.85E+05 3.37E+05 3.82E+05 8.05E+05 8.76E+05 1.02E+06 2.76E+05 5.75E+05 2.63E+05 4.57E+05 3.33E+05 2.78E+05 3.66E+05 7.98E+05 3.11E+05 4.42E+05 2.81E+05 3.61E+05 6.10E+05 7.90E+05 4.37E+05 3.56E+05 3.97E+05 7.22E+05 2.71E+05 6.73E+05 4.38E+05 2.77E+05 4.82E+05 2.37E+05 NP-016582 2.21E+04 1.57E+06 1.27E+06 1.32E+06 1.37E+06 1.18E+06 1.18E+06 1.09E+06 1.12E+06 9.33E+05 2.18E+06 2.00E+06 1.63E+06 1.42E+06 1.74E+06 1.03E+06 1.96E+06 2.53E+06 1.94E+06 1.39E+06 1.28E+06 1.24E+06 1.41E+06 1.87E+06 1.51E+06 6.85E+05 1.09E+06 6.98E+05 1.10E+06 1.65E+06 1.20E+06 2.03E+06 2.18E+06 2.13E+06 7.04E+05 1.10E+06 7.25E+05 1.19E+06 1.62E+06 1.28E+06 1.64E+06 1.62E+06 1.60E+06 1.06E+06 1.16E+06 8.40E+05 9.49E+05 1.00E+06 1.08E+06 9.76E+05 1.53E+06 1.12E+06 1.26E+06 1.24E+06 1.52E+06 1.18E+06 1.00E+06 1.22E+06 1.02E+06 8.66E+05 1.06E+06 1.03E+06 1.35E+06 9.26E+05 8.14E+05 8.66E+05 8.29E+05 N-Phenylacetylglutamine 1.19E+05 2.35E+07 2.37E+07 2.24E+07 2.16E+07 1.92E+07 1.82E+07 1.81E+07 1.91E+07 1.84E+07 5.77E+07 5.97E+07 3.86E+07 6.73E+06 7.06E+06 6.39E+06 3.33E+07 3.97E+07 2.20E+07 1.08E+07 5.81E+06 4.05E+06 1.55E+07 2.00E+07 1.83E+07 8.85E+06 1.00E+07 7.45E+06 5.26E+07 4.86E+07 2.51E+07 5.75E+06 6.64E+06 8.40E+06 2.15E+07 3.84E+07 1.93E+07 1.87E+07 3.95E+07 3.11E+07 1.30E+07 1.74E+07 9.13E+06 1.60E+07 1.84E+07 1.29E+07 3.92E+07 5.13E+07 4.69E+07 1.11E+07 1.22E+07 9.37E+06 2.43E+07 2.52E+07 1.61E+07 1.13E+07 1.16E+07 8.38E+06 1.38E+07 1.35E+07 1.43E+07 8.45E+06 5.07E+06 4.12E+06 4.96E+06 4.60E+06 1.70E+06 N-α-L-Acetyl-arginine 2.52E+04 3.31E+06 3.33E+06 3.21E+06 3.05E+06 3.03E+06 2.84E+06 2.48E+06 2.55E+06 2.61E+06 2.09E+06 2.22E+06 2.01E+06 1.87E+06 1.98E+06 1.47E+06 1.98E+06 3.05E+06 2.13E+06 2.67E+06 3.04E+06 2.65E+06 1.83E+06 2.00E+06 1.57E+06 2.52E+06 3.30E+06 2.29E+06 1.68E+06 1.94E+06 1.52E+06 2.65E+06 2.85E+06 2.29E+06 2.46E+06 3.84E+06 2.75E+06 2.33E+06 4.37E+06 2.44E+06 5.80E+06 6.90E+06 5.79E+06 3.88E+06 3.51E+06 3.26E+06 2.20E+06 2.45E+06 2.13E+06 1.54E+06 1.28E+06 1.51E+06 2.27E+06 2.73E+06 2.55E+06 3.54E+06 3.36E+06 4.10E+06 2.42E+06 2.41E+06 2.99E+06 4.15E+06 4.69E+06 3.42E+06 1.35E+06 1.42E+06 1.42E+06 OCTANOYLCARNITINE 7.22E+05 2.28E+07 2.16E+07 2.12E+07 1.99E+07 2.01E+07 1.91E+07 1.93E+07 1.83E+07 1.75E+07 1.33E+07 2.91E+06 9.11E+06 1.10E+07 5.64E+06 2.19E+07 1.88E+07 1.08E+07 3.00E+07 1.17E+07 6.68E+06 1.28E+07 2.07E+07 1.22E+07 1.59E+07 2.81E+07 1.71E+07 2.99E+07 6.45E+06 4.24E+06 1.01E+07 1.71E+07 6.04E+06 1.46E+07 5.75E+06 4.61E+06 1.66E+07 1.15E+07 5.75E+06 4.49E+07 3.59E+06 2.56E+07 1.90E+07 3.35E+06 1.71E+07 1.04E+07 2.29E+07 4.90E+07 2.01E+07 5.76E+06 5.71E+06 1.55E+07 5.79E+06 9.65E+06 1.51E+07 3.89E+06 7.26E+06 9.15E+06 9.66E+06 1.65E+07 5.12E+07 6.80E+06 1.33E+07 1.41E+07 5.93E+07 8.99E+07 1.55E+08 Oleamide 1.83E+05 3.68E+06 3.92E+06 3.68E+06 3.28E+06 2.87E+06 2.82E+06 2.50E+06 2.42E+06 2.42E+06 3.26E+06 2.96E+06 2.30E+06 5.00E+06 5.89E+06 3.32E+06 4.24E+06 4.37E+06 4.26E+06 4.27E+06 3.49E+06 3.30E+06 3.72E+06 4.37E+06 4.10E+06 2.86E+06 3.80E+06 2.98E+06 2.06E+06 2.90E+06 2.14E+06 3.73E+06 3.65E+06 3.77E+06 2.87E+06 4.05E+06 2.92E+06 3.11E+06 3.63E+06 2.93E+06 4.14E+06 3.06E+06 3.91E+06 2.52E+06 3.32E+06 2.55E+06 3.28E+06 3.18E+06 3.61E+06 2.98E+06 4.03E+06 2.87E+06 2.71E+06 2.46E+06 3.29E+06 3.44E+06 3.44E+06 3.11E+06 2.68E+06 2.24E+06 2.40E+06 3.10E+06 3.02E+06 3.20E+06 2.37E+06 2.55E+06 2.64E+06 Oleoyl ethanolamide 2.02E+04 2.60E+06 2.75E+06 2.50E+06 2.48E+06 2.86E+06 2.14E+06 2.01E+06 1.79E+06 1.76E+06 3.61E+06 3.78E+06 2.66E+06 3.07E+06 4.01E+06 2.36E+06 3.21E+06 4.02E+06 2.98E+06 2.99E+06 2.92E+06 2.45E+06 2.41E+06 3.03E+06 2.75E+06 1.53E+06 2.22E+06 1.66E+06 2.01E+06 3.05E+06 2.19E+06 3.05E+06 3.15E+06 3.05E+06 1.53E+06 2.31E+06 1.86E+06 1.88E+06 2.14E+06 2.05E+06 3.16E+06 2.76E+06 3.24E+06 1.93E+06 2.14E+06 1.57E+06 2.20E+06 2.27E+06 2.35E+06 1.78E+06 2.74E+06 1.97E+06 1.70E+06 1.85E+06 2.26E+06 2.36E+06 2.18E+06 2.32E+06 2.09E+06 1.84E+06 2.04E+06 1.89E+06 2.37E+06 1.90E+06 2.07E+06 2.16E+06 1.88E+06 Oleoyl-L-α-lysophosphatidic acid 1.84E+04 1.13E+07 1.03E+07 1.03E+07 1.02E+07 9.75E+06 9.08E+06 8.25E+06 8.42E+06 8.57E+06 1.10E+07 1.10E+07 1.07E+07 9.26E+06 9.47E+06 9.28E+06 9.82E+06 1.02E+07 8.63E+06 1.01E+07 1.08E+07 1.04E+07 9.35E+06 9.15E+06 8.27E+06 9.37E+06 8.88E+06 8.51E+06 1.13E+07 1.10E+07 9.65E+06 1.07E+07 1.04E+07 9.58E+06 9.77E+06 1.08E+07 9.62E+06 9.79E+06 1.03E+07 9.35E+06 1.08E+07 1.15E+07 1.18E+07 1.11E+07 9.69E+06 9.08E+06 9.60E+06 1.06E+07 9.67E+06 7.87E+06 7.19E+06 8.10E+06 9.22E+06 9.76E+06 7.65E+06 8.35E+06 8.16E+06 7.75E+06 1.05E+07 9.57E+06 1.10E+07 9.20E+06 1.02E+07 8.09E+06 1.01E+07 9.24E+06 8.35E+06 Ornithine 5.90E+04 5.09E+06 6.45E+06 6.63E+06 5.78E+06 4.95E+06 5.41E+06 5.83E+06 6.04E+06 3.91E+06 7.47E+06 1.14E+07 1.02E+07 6.82E+06 7.37E+06 6.73E+06 6.53E+06 9.57E+06 2.21E+06 6.07E+06 8.24E+06 5.21E+06 6.47E+06 7.08E+06 7.23E+06 6.76E+06 4.33E+06 7.93E+06 6.61E+06 7.05E+06 6.82E+06 6.96E+06 5.82E+06 5.48E+06 2.02E+06 2.67E+06 2.84E+06 2.41E+06 2.94E+06 2.47E+06 5.42E+06 8.33E+06 9.92E+06 6.21E+06 6.89E+06 4.06E+06 5.48E+06 9.47E+06 6.52E+06 5.24E+06 3.59E+06 8.14E+06 5.46E+06 5.27E+06 4.49E+06 5.13E+06 4.92E+06 3.56E+06 5.35E+06 5.52E+06 4.23E+06 2.66E+06 2.14E+06 1.52E+06 2.97E+06 2.15E+06 1.58E+06 Palmitoleic acid 3.42E+05 1.70E+06 1.80E+06 1.74E+06 1.67E+06 1.70E+06 1.52E+06 1.47E+06 1.43E+06 1.36E+06 5.57E+05 5.16E+05 4.37E+05 1.02E+06 1.03E+06 1.13E+06 1.41E+06 1.25E+06 1.15E+06 1.72E+06 1.67E+06 1.64E+06 2.03E+06 2.26E+06 2.05E+06 2.01E+06 2.33E+06 2.09E+06 1.45E+06 1.52E+06 1.36E+06 3.24E+06 3.17E+06 3.16E+06 1.28E+06 1.34E+06 1.33E+06 1.82E+06 2.03E+06 1.96E+06 1.33E+06 1.43E+06 1.40E+06 1.76E+06 1.78E+06 1.72E+06 2.04E+06 2.47E+06 2.47E+06 1.45E+06 1.25E+06 1.75E+06 1.60E+06 1.77E+06 1.52E+06 9.02E+05 9.52E+05 9.39E+05 1.13E+06 1.07E+06 1.38E+06 8.59E+05 9.43E+05 8.26E+05 3.03E+06 2.81E+06 2.72E+06 Palmitoyl sphingomyelin 5.36E+05 1.16E+09 1.15E+09 1.12E+09 1.09E+09 1.05E+09 9.84E+08 9.02E+08 9.07E+08 8.80E+08 1.26E+09 9.63E+08 9.77E+08 9.52E+08 1.03E+09 7.33E+08 1.03E+09 1.05E+09 1.30E+09 1.27E+09 1.09E+09 1.14E+09 1.10E+09 1.11E+09 1.22E+09 1.12E+09 1.23E+09 1.18E+09 9.63E+08 1.07E+09 1.07E+09 1.08E+09 8.95E+08 1.12E+09 1.02E+09 1.00E+09 9.93E+08 1.10E+09 1.35E+09 1.26E+09 1.07E+09 6.81E+08 9.08E+08 1.12E+09 1.06E+09 1.01E+09 1.05E+09 9.10E+08 1.12E+09 1.01E+09 1.16E+09 1.08E+09 8.28E+08 9.65E+08 1.01E+09 1.02E+09 9.67E+08 8.57E+08 1.06E+09 1.11E+09 9.51E+08 9.12E+08 8.30E+08 9.85E+08 9.64E+08 9.29E+08 9.36E+08 PC 32:1 1.07E+06 1.57E+08 1.52E+08 1.51E+08 1.48E+08 1.55E+08 1.42E+08 1.37E+08 1.34E+08 1.26E+08 7.11E+07 8.02E+07 9.16E+07 2.06E+08 2.18E+08 3.22E+08 1.09E+08 1.51E+08 1.05E+08 1.37E+08 1.38E+08 1.30E+08 7.43E+07 1.11E+08 8.56E+07 1.37E+08 1.46E+08 1.71E+08 1.01E+08 1.00E+08 1.07E+08 7.21E+07 8.24E+07 8.45E+07 2.81E+08 2.88E+08 2.99E+08 8.87E+07 9.09E+07 9.39E+07 2.01E+08 2.27E+08 2.59E+08 1.18E+08 1.28E+08 1.42E+08 1.74E+08 2.07E+08 2.17E+08 1.09E+08 1.11E+08 1.53E+08 1.01E+08 1.13E+08 1.05E+08 1.23E+08 1.26E+08 1.41E+08 1.17E+08 1.13E+08 1.07E+08 1.90E+08 2.09E+08 1.90E+08 1.29E+08 1.14E+08 1.22E+08 PC 38:3 1.37E+05 3.70E+08 3.67E+08 3.66E+08 3.60E+08 3.64E+08 3.30E+08 2.76E+08 3.00E+08 2.89E+08 4.21E+08 3.83E+08 3.86E+08 4.64E+08 5.30E+08 2.77E+08 3.09E+08 3.43E+08 3.34E+08 3.23E+08 3.27E+08 3.28E+08 1.56E+08 2.37E+08 1.92E+08 3.00E+08 3.14E+08 3.28E+08 4.28E+08 4.37E+08 4.41E+08 1.38E+08 2.19E+08 2.21E+08 4.08E+08 4.39E+08 4.35E+08 2.73E+08 2.64E+08 2.83E+08 3.63E+08 3.94E+08 3.88E+08 3.47E+08 3.67E+08 3.34E+08 2.54E+08 2.82E+08 2.93E+08 3.03E+08 2.87E+08 3.37E+08 2.77E+08 3.07E+08 2.88E+08 4.62E+08 4.35E+08 4.53E+08 3.43E+08 3.31E+08 2.57E+08 2.79E+08 3.22E+08 2.95E+08 2.54E+08 2.35E+08 2.32E+08 PC O-36:5 8.36E+04 1.93E+08 1.97E+08 1.89E+08 1.55E+08 1.87E+08 1.72E+08 1.58E+08 1.52E+08 1.27E+08 1.23E+08 1.23E+08 1.25E+08 1.62E+08 1.64E+08 1.67E+08 1.55E+08 1.64E+08 1.59E+08 2.13E+08 2.17E+08 2.03E+08 1.87E+08 2.11E+08 2.03E+08 2.05E+08 2.27E+08 2.25E+08 9.95E+07 9.13E+07 9.09E+07 2.15E+08 2.69E+08 2.11E+08 2.02E+08 2.21E+08 2.15E+08 1.62E+08 1.73E+08 1.80E+08 1.35E+08 1.53E+08 1.48E+08 1.94E+08 1.90E+08 1.82E+08 1.61E+08 2.11E+08 2.02E+08 1.59E+08 1.55E+08 1.76E+08 2.16E+08 2.34E+08 2.16E+08 2.11E+08 2.14E+08 2.07E+08 1.43E+08 1.41E+08 1.62E+08 1.17E+08 1.28E+08 1.15E+08 1.27E+08 1.26E+08 1.30E+08 PC(16:0/0:0) 1.20E+06 2.12E+09 2.09E+09 2.08E+09 1.98E+09 2.03E+09 1.90E+09 1.84E+09 1.83E+09 1.84E+09 1.78E+09 1.96E+09 1.90E+09 1.90E+09 1.91E+09 1.80E+09 1.89E+09 2.06E+09 1.56E+09 2.01E+09 2.14E+09 2.07E+09 1.88E+09 1.91E+09 1.69E+09 2.02E+09 2.10E+09 1.71E+09 2.00E+09 2.14E+09 1.67E+09 1.88E+09 2.08E+09 1.76E+09 2.12E+09 2.33E+09 1.84E+09 2.43E+09 2.58E+09 2.16E+09 2.20E+09 2.38E+09 2.18E+09 2.35E+09 2.13E+09 2.12E+09 1.72E+09 1.73E+09 1.66E+09 1.83E+09 1.68E+09 1.68E+09 2.03E+09 2.13E+09 1.78E+09 2.06E+09 2.02E+09 2.08E+09 2.15E+09 2.64E+09 1.94E+09 2.24E+09 2.21E+09 1.79E+09 1.40E+09 1.34E+09 1.11E+09 P-CRESOL SULFATE 2.18E+03 4.34E+07 4.30E+07 4.24E+07 3.94E+07 3.82E+07 3.56E+07 3.26E+07 3.45E+07 3.33E+07 7.59E+07 8.22E+07 7.46E+07 3.00E+07 2.12E+07 2.56E+07 7.68E+07 8.11E+07 4.50E+07 3.93E+07 3.67E+07 2.26E+07 2.66E+07 3.39E+07 3.57E+07 8.61E+06 1.07E+07 8.88E+06 8.43E+07 8.87E+07 6.00E+07 1.00E+07 1.17E+07 1.45E+07 7.06E+07 8.59E+07 7.11E+07 1.15E+07 1.47E+07 1.60E+07 1.65E+07 2.78E+07 2.06E+07 5.22E+07 4.46E+07 4.53E+07 7.76E+07 1.08E+08 8.32E+07 2.33E+07 1.27E+07 1.78E+07 7.48E+07 7.75E+07 5.29E+07 4.73E+07 4.28E+07 3.74E+07 9.28E+06 8.55E+06 2.65E+07 1.39E+07 1.41E+07 6.57E+06 4.07E+05 3.22E+05 2.75E+05 PE O-18:1_20:4 1.04E+05 7.09E+07 7.77E+07 6.47E+07 7.62E+07 6.45E+07 6.70E+07 5.70E+07 5.53E+07 5.39E+07 4.70E+07 3.76E+07 3.50E+07 8.53E+07 8.15E+07 6.66E+07 4.32E+07 5.31E+07 5.56E+07 6.78E+07 7.30E+07 6.18E+07 5.70E+07 6.15E+07 6.50E+07 5.77E+07 7.00E+07 6.01E+07 1.62E+07 2.92E+07 2.48E+07 1.08E+08 1.10E+08 1.09E+08 8.43E+07 1.15E+08 8.38E+07 7.60E+07 7.44E+07 7.03E+07 2.83E+07 5.49E+07 3.60E+07 6.76E+07 5.57E+07 6.52E+07 8.56E+07 9.05E+07 8.71E+07 4.04E+07 4.21E+07 4.51E+07 8.61E+07 9.25E+07 8.72E+07 7.02E+07 6.11E+07 6.34E+07 3.73E+07 3.31E+07 7.80E+06 4.17E+07 4.30E+07 3.93E+07 2.74E+07 3.64E+07 3.40E+07 Pentacosanoic acid 3.06E+04 3.95E+06 2.52E+06 3.80E+06 3.90E+06 3.67E+06 3.58E+06 1.96E+06 1.10E+06 3.04E+06 1.00E+06 9.45E+05 8.58E+05 3.47E+06 4.29E+06 4.54E+06 1.06E+06 1.64E+06 1.35E+06 2.16E+06 1.38E+06 3.28E+06 2.55E+06 2.76E+06 2.75E+06 5.19E+06 6.32E+06 5.81E+06 4.23E+06 4.74E+06 4.38E+06 4.47E+06 4.86E+06 4.93E+06 2.96E+06 3.29E+06 3.03E+06 2.10E+06 1.90E+06 2.57E+06 2.89E+06 3.41E+06 3.64E+06 7.75E+06 5.51E+06 7.67E+06 3.70E+06 4.33E+06 4.09E+06 1.45E+06 8.31E+05 1.90E+06 3.17E+06 3.32E+06 3.86E+06 1.65E+06 1.89E+06 1.47E+06 3.68E+06 2.02E+06 4.36E+06 2.07E+06 2.71E+06 1.13E+06 6.56E+06 6.01E+06 6.40E+06 Phenol sulfate 2.47E+03 8.08E+07 7.52E+07 7.27E+07 6.82E+07 6.78E+07 6.15E+07 6.08E+07 6.03E+07 5.54E+07 6.44E+07 6.71E+07 5.69E+07 4.81E+07 5.21E+07 5.69E+07 6.90E+07 9.06E+07 5.83E+07 3.96E+07 4.15E+07 4.51E+07 4.32E+07 5.40E+07 4.45E+07 1.51E+08 1.88E+08 1.27E+08 1.07E+08 1.28E+08 1.03E+08 3.13E+07 3.67E+07 3.74E+07 3.47E+07 5.27E+07 4.22E+07 2.18E+08 3.24E+08 2.48E+08 6.58E+07 7.30E+07 5.52E+07 1.36E+08 1.22E+08 8.37E+07 3.41E+07 3.45E+07 2.63E+07 1.53E+07 1.96E+07 2.12E+07 1.58E+07 2.58E+07 1.53E+07 4.80E+07 5.43E+07 7.30E+07 2.68E+07 3.49E+07 2.85E+07 2.84E+07 3.78E+07 1.71E+07 5.32E+07 4.96E+07 3.90E+07 Piperidine 1.52E+06 2.02E+07 1.90E+07 1.91E+07 1.82E+07 1.91E+07 1.82E+07 1.66E+07 1.72E+07 1.68E+07 1.42E+07 1.44E+07 2.16E+07 1.59E+07 1.37E+07 1.61E+07 1.94E+07 1.92E+07 1.93E+07 2.00E+07 1.92E+07 2.59E+07 1.62E+07 3.28E+07 1.98E+07 1.92E+07 1.53E+07 2.06E+07 1.91E+07 2.57E+07 1.11E+07 1.14E+07 2.13E+07 3.14E+07 1.20E+07 1.55E+07 1.60E+07 1.59E+07 2.29E+07 1.37E+07 1.70E+07 1.87E+07 2.24E+07 1.95E+07 1.44E+07 1.40E+07 2.25E+07 1.33E+07 1.30E+07 1.73E+07 1.82E+07 1.84E+07 2.14E+07 2.36E+07 2.60E+07 1.46E+07 2.38E+07 2.06E+07 1.90E+07 2.63E+07 1.34E+07 1.28E+07 1.94E+07 1.81E+07 1.41E+07 1.48E+07 2.59E+07 Proline 5.82E+05 6.58E+06 6.85E+06 6.83E+06 6.86E+06 6.74E+06 5.90E+06 5.95E+06 5.90E+06 5.67E+06 1.79E+06 2.21E+06 2.06E+06 2.08E+06 1.86E+06 1.52E+06 2.71E+06 3.04E+06 2.48E+06 1.31E+07 1.32E+07 1.18E+07 4.88E+06 5.11E+06 4.05E+06 4.42E+06 4.69E+06 4.60E+06 2.85E+07 3.13E+07 3.16E+07 1.81E+07 2.34E+07 2.22E+07 4.30E+06 5.11E+06 4.67E+06 6.30E+06 8.10E+06 8.48E+06 1.26E+06 1.69E+06 1.91E+06 3.15E+06 2.33E+06 2.00E+06 8.66E+06 9.32E+06 9.13E+06 3.59E+06 2.98E+06 3.76E+06 7.41E+06 7.84E+06 6.38E+06 1.80E+06 1.72E+06 1.81E+06 5.38E+06 4.82E+06 4.23E+06 1.97E+06 2.00E+06 2.48E+06 3.93E+06 3.37E+06 3.41E+06 Prolylleucine 3.33E+04 2.81E+07 4.04E+07 4.11E+07 3.83E+07 2.37E+07 3.40E+07 3.04E+07 2.06E+07 3.04E+07 3.35E+07 2.79E+07 2.76E+07 2.29E+07 3.81E+07 2.52E+07 4.73E+07 7.36E+07 4.36E+07 5.27E+07 4.58E+07 4.48E+07 2.46E+07 3.73E+07 3.55E+07 6.34E+07 7.48E+07 6.50E+07 3.92E+07 5.24E+07 3.87E+07 3.57E+07 3.63E+07 3.76E+07 3.20E+07 2.20E+07 3.84E+07 5.04E+07 6.43E+07 6.72E+07 1.79E+07 2.28E+07 2.26E+07 1.90E+07 2.89E+07 2.91E+07 2.35E+07 2.86E+07 2.70E+07 2.81E+07 2.19E+07 3.41E+07 2.64E+07 2.65E+07 2.40E+07 3.26E+07 3.29E+07 3.57E+07 2.83E+07 2.87E+07 3.10E+07 2.48E+07 2.85E+07 2.18E+07 4.55E+07 3.49E+07 3.49E+07 P-TOLUENESULFONIC ACID 1.75E+03 1.53E+06 1.54E+06 1.49E+06 1.50E+06 1.43E+06 1.37E+06 1.26E+06 1.36E+06 1.36E+06 1.56E+05 1.66E+05 1.18E+05 1.62E+05 1.95E+05 1.49E+05 4.82E+06 1.73E+05 7.41E+05 1.55E+06 1.49E+05 1.21E+05 1.41E+05 5.02E+07 1.34E+05 2.05E+05 1.94E+05 1.51E+05 5.42E+05 2.36E+05 1.78E+05 1.97E+05 3.26E+05 1.24E+05 1.33E+05 2.03E+05 1.25E+05 1.47E+05 1.35E+05 1.31E+05 2.12E+05 8.89E+05 2.45E+05 2.37E+05 5.88E+06 3.84E+06 2.13E+05 2.35E+05 2.62E+05 2.88E+05 2.24E+05 2.28E+05 2.16E+05 1.75E+05 1.85E+05 2.27E+05 2.22E+05 2.19E+05 2.13E+05 1.85E+05 3.04E+05 2.63E+05 2.11E+05 2.21E+05 3.28E+05 2.29E+05 2.12E+05 Pyrrolidine 5.34E+05 2.46E+06 3.12E+06 2.26E+06 7.15E+06 2.03E+06 2.59E+06 1.53E+06 2.01E+06 2.38E+06 3.76E+06 2.24E+06 1.36E+06 3.22E+06 3.17E+06 2.25E+06 4.01E+06 2.34E+06 2.18E+06 2.36E+06 2.02E+06 2.43E+06 2.06E+06 2.38E+06 2.11E+06 1.80E+06 3.13E+06 1.61E+06 1.84E+06 2.12E+06 2.58E+06 3.42E+06 2.94E+06 1.71E+06 3.17E+06 3.15E+06 1.56E+06 3.44E+06 3.31E+06 1.70E+06 1.62E+06 1.28E+06 1.99E+06 1.68E+06 2.67E+06 2.14E+06 2.68E+06 2.00E+06 2.01E+06 1.99E+06 1.81E+06 1.70E+06 2.90E+06 2.27E+06 2.30E+06 1.54E+06 1.92E+06 2.09E+06 2.83E+06 2.27E+06 1.94E+06 2.03E+06 1.34E+06 2.11E+06 5.39E+06 9.78E+06 1.75E+06 Salicylic acid 2.01E+03 2.53E+06 2.61E+06 2.57E+06 2.39E+06 2.23E+06 2.19E+06 2.19E+06 2.15E+06 2.13E+06 2.60E+06 2.16E+06 1.53E+06 1.71E+06 1.61E+06 1.30E+06 1.03E+06 1.03E+06 7.73E+05 4.36E+06 3.35E+06 2.33E+06 5.86E+06 5.23E+06 5.87E+06 6.86E+05 7.75E+05 6.97E+05 2.72E+06 2.42E+06 1.47E+06 5.08E+06 4.60E+06 3.68E+06 6.68E+05 7.04E+05 4.73E+05 3.26E+06 3.17E+06 1.90E+06 4.23E+06 2.86E+06 1.41E+06 8.91E+05 8.74E+05 7.65E+05 7.91E+05 6.20E+05 5.95E+05 1.74E+06 1.58E+06 1.75E+06 3.12E+06 2.84E+06 1.47E+06 3.25E+06 3.96E+06 4.88E+06 9.94E+05 8.02E+05 1.06E+06 1.26E+06 1.08E+06 8.82E+05 2.56E+06 2.30E+06 1.94E+06 SM d32:1 1.98E+04 1.93E+08 1.85E+08 1.89E+08 1.83E+08 1.77E+08 1.64E+08 1.54E+08 1.55E+08 1.61E+08 1.50E+08 1.30E+08 1.41E+08 2.66E+08 2.76E+08 2.60E+08 2.42E+08 2.44E+08 2.29E+08 1.85E+08 1.96E+08 1.92E+08 1.98E+08 2.06E+08 2.10E+08 1.54E+08 1.68E+08 1.71E+08 1.63E+08 1.75E+08 1.77E+08 9.47E+07 9.95E+07 9.82E+07 1.52E+08 1.62E+08 1.63E+08 1.71E+08 1.86E+08 1.92E+08 2.31E+08 2.45E+08 2.55E+08 1.35E+08 1.39E+08 1.32E+08 1.75E+08 2.02E+08 2.00E+08 1.28E+08 1.25E+08 1.58E+08 1.87E+08 2.00E+08 1.84E+08 1.89E+08 1.66E+08 1.73E+08 1.67E+08 2.00E+08 1.68E+08 1.69E+08 1.78E+08 1.72E+08 7.11E+07 7.07E+07 6.82E+07 SM d34:2 9.75E+04 4.38E+08 4.31E+08 4.20E+08 4.10E+08 3.98E+08 3.80E+08 3.52E+08 3.47E+08 3.34E+08 3.64E+08 3.29E+08 3.15E+08 4.20E+08 4.83E+08 4.25E+08 4.34E+08 4.74E+08 4.27E+08 4.14E+08 4.43E+08 4.21E+08 4.26E+08 5.02E+08 4.61E+08 4.21E+08 4.81E+08 4.50E+08 3.51E+08 3.87E+08 3.56E+08 3.93E+08 4.17E+08 4.09E+08 3.58E+08 4.36E+08 3.85E+08 4.16E+08 4.60E+08 4.51E+08 3.42E+08 3.45E+08 3.59E+08 4.05E+08 4.20E+08 3.63E+08 3.18E+08 3.37E+08 3.47E+08 3.06E+08 3.13E+08 3.66E+08 3.49E+08 4.17E+08 3.62E+08 3.23E+08 3.13E+08 3.22E+08 3.30E+08 3.24E+08 3.51E+08 3.49E+08 4.10E+08 3.48E+08 2.34E+08 2.45E+08 2.37E+08 SM d36:2 2.46E+04 1.81E+08 1.82E+08 1.88E+08 1.74E+08 1.73E+08 1.60E+08 1.53E+08 1.46E+08 1.46E+08 1.37E+08 1.20E+08 1.16E+08 1.99E+08 1.99E+08 1.80E+08 1.80E+08 1.91E+08 1.82E+08 1.48E+08 1.51E+08 1.52E+08 1.51E+08 1.59E+08 1.56E+08 1.96E+08 2.13E+08 2.24E+08 1.02E+08 1.07E+08 1.01E+08 1.73E+08 1.75E+08 1.84E+08 2.43E+08 2.58E+08 2.57E+08 1.70E+08 1.79E+08 1.92E+08 1.50E+08 1.54E+08 1.51E+08 1.89E+08 1.92E+08 1.78E+08 1.91E+08 2.09E+08 2.22E+08 1.79E+08 1.60E+08 2.10E+08 1.82E+08 2.03E+08 1.87E+08 1.43E+08 1.30E+08 1.35E+08 1.46E+08 1.54E+08 1.63E+08 1.23E+08 1.38E+08 1.26E+08 1.14E+08 1.11E+08 1.13E+08 S-Methyl-L-cysteine-S-oxide 2.71E+03 4.84E+06 5.16E+06 5.34E+06 5.16E+06 4.93E+06 4.59E+06 4.01E+06 3.72E+06 3.69E+06 1.26E+07 1.13E+07 1.63E+07 9.98E+05 7.15E+05 1.03E+06 3.20E+06 2.26E+06 2.33E+06 2.12E+06 2.13E+06 1.88E+06 1.54E+07 1.43E+07 1.83E+07 1.50E+06 1.31E+06 1.78E+06 1.36E+07 1.07E+07 1.27E+07 1.47E+06 1.13E+06 7.49E+05 5.87E+06 4.44E+06 5.81E+06 3.38E+06 2.95E+06 1.13E+06 1.76E+06 1.86E+06 2.24E+06 2.29E+06 1.76E+06 1.98E+06 4.39E+06 4.79E+06 5.78E+06 1.13E+06 9.94E+05 1.35E+06 3.58E+06 4.42E+06 3.61E+06 1.28E+06 1.33E+06 1.42E+06 2.99E+06 2.65E+06 2.68E+06 1.71E+06 1.92E+06 1.39E+06 4.64E+06 3.76E+06 3.67E+06 S-Methyl-methionine; AIF; CE10; MS2Dec 3.15E+04 2.27E+06 2.34E+06 2.14E+06 2.09E+06 1.87E+06 1.78E+06 1.68E+06 1.65E+06 1.59E+06 2.61E+06 1.52E+06 1.61E+06 1.10E+06 6.02E+05 4.96E+05 4.97E+06 2.33E+06 1.31E+06 1.22E+06 7.70E+05 5.14E+05 4.80E+06 3.61E+06 2.68E+06 7.77E+05 7.28E+05 6.04E+05 4.88E+06 3.54E+06 2.74E+06 2.62E+06 1.72E+06 1.10E+06 7.01E+05 5.14E+05 4.47E+05 1.39E+06 1.29E+06 7.38E+05 8.99E+05 5.72E+05 3.65E+05 2.88E+06 1.30E+06 8.85E+05 4.42E+05 4.05E+05 3.09E+05 1.39E+06 9.09E+05 7.23E+05 4.04E+06 7.39E+06 4.48E+06 5.16E+06 4.67E+06 3.74E+06 2.92E+06 1.82E+06 8.09E+05 7.03E+05 4.81E+05 2.28E+05 2.59E+06 2.02E+06 1.30E+06 ST 27:1;O;S 3.42E+04 6.89E+07 7.44E+07 6.54E+07 6.20E+07 5.85E+07 5.64E+07 5.11E+07 4.92E+07 4.69E+07 6.68E+07 5.07E+07 4.69E+07 1.54E+08 9.37E+07 6.57E+07 7.00E+07 7.65E+07 6.76E+07 6.39E+07 6.39E+07 5.97E+07 5.09E+07 5.66E+07 5.21E+07 5.81E+07 6.66E+07 6.33E+07 5.60E+07 6.14E+07 5.70E+07 6.89E+07 5.78E+07 6.80E+07 4.19E+07 4.97E+07 3.86E+07 6.08E+07 6.58E+07 6.09E+07 1.39E+08 7.70E+07 7.99E+07 5.70E+07 5.59E+07 4.55E+07 5.87E+07 5.15E+07 5.51E+07 5.23E+07 5.61E+07 5.89E+07 3.74E+07 4.36E+07 4.35E+07 3.95E+07 2.99E+07 3.86E+07 5.00E+07 4.30E+07 4.24E+07 5.73E+07 6.47E+07 5.43E+07 4.02E+07 3.66E+07 3.36E+07 ST 28:1;O;S 5.15E+03 1.81E+06 1.86E+06 2.17E+06 1.74E+06 1.62E+06 1.53E+06 1.47E+06 1.42E+06 1.26E+06 2.07E+06 1.82E+06 1.77E+06 1.07E+06 1.18E+06 8.44E+05 1.89E+06 1.98E+06 2.34E+06 1.46E+06 1.25E+06 1.21E+06 1.12E+06 1.11E+06 1.30E+06 1.50E+06 1.61E+06 1.52E+06 2.85E+06 3.18E+06 3.17E+06 2.02E+06 1.64E+06 1.95E+06 1.12E+06 1.19E+06 1.13E+06 2.91E+06 3.07E+06 2.98E+06 1.50E+06 1.77E+06 2.49E+06 1.46E+06 1.37E+06 1.21E+06 1.28E+06 1.05E+06 1.11E+06 1.12E+06 1.67E+06 1.40E+06 5.77E+05 7.43E+05 7.41E+05 1.09E+06 1.04E+06 9.33E+05 1.90E+06 1.40E+06 1.66E+06 1.44E+06 1.38E+06 1.47E+06 1.80E+06 1.59E+06 1.61E+06 ST 29:1;O;S 5.02E+03 2.68E+06 2.45E+06 2.48E+06 2.38E+06 2.24E+06 2.09E+06 1.86E+06 1.99E+06 1.72E+06 3.53E+06 2.63E+06 2.49E+06 1.13E+06 1.45E+06 9.66E+05 2.79E+06 3.24E+06 3.59E+06 1.39E+06 1.12E+06 1.22E+06 1.07E+06 1.21E+06 1.23E+06 1.51E+06 1.77E+06 1.67E+06 5.06E+06 6.29E+06 5.61E+06 1.80E+06 1.47E+06 2.05E+06 1.39E+06 1.51E+06 1.31E+06 3.70E+06 4.16E+06 3.85E+06 3.40E+06 2.06E+06 2.96E+06 1.49E+06 1.52E+06 1.36E+06 1.54E+06 1.31E+06 1.52E+06 1.50E+06 1.98E+06 1.70E+06 7.03E+05 9.40E+05 9.00E+05 1.45E+06 1.58E+06 1.32E+06 3.45E+06 2.88E+06 2.85E+06 1.82E+06 1.63E+06 1.88E+06 3.28E+06 2.86E+06 3.10E+06 Stearic Acid 3.33E+07 6.14E+08 6.11E+08 5.70E+08 5.71E+08 5.62E+08 5.23E+08 5.21E+08 5.19E+08 5.00E+08 7.21E+08 7.42E+08 6.41E+08 6.74E+08 5.85E+08 5.94E+08 5.58E+08 5.86E+08 8.44E+08 5.34E+08 4.55E+08 5.00E+08 5.00E+08 4.31E+08 5.15E+08 4.77E+08 5.84E+08 5.19E+08 5.73E+08 6.73E+08 4.78E+08 4.94E+08 4.51E+08 4.77E+08 6.23E+08 5.94E+08 7.15E+08 5.52E+08 5.55E+08 5.48E+08 5.04E+08 5.40E+08 6.74E+08 5.10E+08 5.21E+08 5.32E+08 4.78E+08 4.52E+08 5.40E+08 4.31E+08 6.01E+08 6.03E+08 4.30E+08 4.25E+08 5.45E+08 5.03E+08 7.96E+08 4.70E+08 5.02E+08 4.19E+08 7.48E+08 5.51E+08 6.64E+08 6.66E+08 4.70E+08 3.47E+08 4.47E+08 Taurine 3.47E+04 2.88E+07 2.94E+07 2.98E+07 2.95E+07 2.79E+07 2.70E+07 2.56E+07 2.58E+07 2.58E+07 1.97E+07 2.62E+07 2.20E+07 2.71E+07 3.08E+07 2.66E+07 2.57E+07 3.15E+07 2.96E+07 2.13E+07 2.81E+07 2.24E+07 2.12E+07 2.32E+07 2.15E+07 2.09E+07 2.58E+07 2.23E+07 1.61E+07 1.76E+07 1.52E+07 2.06E+07 2.54E+07 2.03E+07 3.28E+07 5.51E+07 3.51E+07 3.40E+07 4.39E+07 1.71E+07 2.56E+07 3.71E+07 3.29E+07 2.96E+07 2.44E+07 2.30E+07 2.29E+07 2.72E+07 2.60E+07 1.74E+07 1.75E+07 1.98E+07 2.28E+07 2.72E+07 2.33E+07 2.25E+07 2.24E+07 2.33E+07 2.00E+07 2.04E+07 2.22E+07 4.70E+07 3.49E+07 3.80E+07 3.36E+07 4.23E+07 4.11E+07 Testosterone sulfate 8.83E+03 4.79E+08 4.26E+08 3.99E+08 4.09E+08 3.94E+08 3.58E+08 3.62E+08 3.50E+08 3.32E+08 2.56E+08 2.70E+08 2.82E+08 3.34E+08 3.34E+08 3.96E+08 4.45E+08 5.09E+08 4.84E+08 4.41E+08 4.74E+08 4.71E+08 3.80E+08 4.73E+08 4.36E+08 5.98E+08 7.04E+08 8.18E+08 4.57E+08 5.23E+08 5.13E+08 3.20E+08 3.58E+08 3.34E+08 3.38E+08 4.45E+08 4.44E+08 3.09E+08 3.61E+08 4.00E+08 3.65E+08 5.11E+08 5.50E+08 2.71E+08 3.47E+08 2.97E+08 4.48E+08 5.76E+08 5.53E+08 4.78E+08 4.62E+08 6.95E+08 2.39E+08 2.87E+08 2.64E+08 2.45E+08 2.65E+08 2.55E+08 2.67E+08 2.81E+08 4.07E+08 2.34E+08 2.84E+08 2.70E+08 1.89E+08 1.62E+08 2.01E+08 Theophylline 3.78E+04 1.45E+07 1.48E+07 1.39E+07 1.33E+07 1.32E+07 1.30E+07 1.20E+07 1.17E+07 1.26E+07 1.45E+07 1.11E+07 1.08E+07 5.88E+06 4.57E+06 4.87E+06 5.48E+06 4.62E+06 3.72E+06 7.60E+06 5.84E+06 6.41E+06 9.67E+06 8.08E+06 7.08E+06 1.65E+04 1.73E+04 1.72E+04 1.27E+07 1.04E+07 9.50E+06 3.91E+04 3.73E+04 3.88E+04 2.17E+07 1.86E+07 1.71E+07 2.27E+07 1.81E+07 2.22E+07 1.31E+07 1.43E+07 8.55E+06 9.09E+06 7.28E+06 5.80E+06 7.72E+06 6.97E+06 5.80E+06 6.54E+06 4.47E+06 5.02E+06 1.38E+07 1.22E+07 1.03E+07 1.13E+07 1.07E+07 1.03E+07 5.05E+06 3.69E+06 4.75E+06 1.12E+07 9.59E+06 9.34E+06 9.93E+07 9.07E+07 8.31E+07 trans-3-Indoleacrylic acid 4.11E+03 2.67E+06 2.62E+06 2.62E+06 2.52E+06 2.34E+06 2.18E+06 2.00E+06 1.84E+06 1.88E+06 8.80E+06 8.35E+06 8.37E+06 1.31E+05 1.06E+05 1.03E+05 3.45E+05 3.42E+05 2.71E+05 4.54E+06 4.97E+06 4.87E+06 3.05E+06 3.25E+06 3.19E+06 5.14E+03 8.04E+03 5.31E+03 6.89E+06 7.26E+06 6.95E+06 8.71E+03 1.48E+04 8.69E+03 8.26E+04 9.54E+04 8.35E+04 9.68E+05 1.12E+06 1.01E+06 9.33E+05 9.90E+05 1.05E+06 5.19E+04 5.53E+04 4.56E+04 7.33E+04 7.87E+04 9.21E+04 2.00E+05 1.57E+05 2.26E+05 9.66E+05 1.06E+06 8.97E+05 1.34E+06 1.38E+06 1.44E+06 9.82E+05 9.35E+05 2.41E+06 5.28E+06 5.75E+06 4.75E+06 6.58E+06 6.48E+06 6.28E+06 Trifluoroacetic acid 6.96E+06 4.32E+07 4.30E+07 4.14E+07 3.92E+07 3.79E+07 3.58E+07 3.54E+07 2.60E+07 3.36E+07 4.22E+07 3.88E+07 3.54E+07 3.83E+07 3.85E+07 3.64E+07 4.00E+07 4.38E+07 4.17E+07 4.11E+07 3.65E+07 3.82E+07 2.38E+07 2.77E+07 2.55E+07 3.60E+07 4.30E+07 4.22E+07 3.00E+07 3.06E+07 4.16E+07 3.65E+07 3.47E+07 3.77E+07 3.65E+07 4.13E+07 3.95E+07 3.92E+07 4.32E+07 4.00E+07 3.51E+07 3.99E+07 3.52E+07 3.40E+07 3.51E+07 3.32E+07 4.16E+07 3.80E+07 3.40E+07 2.91E+07 3.82E+07 3.79E+07 2.90E+07 3.87E+07 3.11E+07 2.46E+07 2.28E+07 2.39E+07 3.15E+07 3.65E+07 3.82E+07 3.26E+07 3.99E+07 3.10E+07 3.33E+07 3.76E+07 3.10E+07 Urea 1.16E+07 8.63E+08 8.68E+08 8.51E+08 8.48E+08 8.34E+08 8.02E+08 8.13E+08 7.80E+08 7.80E+08 9.43E+08 9.72E+08 9.98E+08 9.41E+08 8.76E+08 9.65E+08 8.47E+08 8.66E+08 8.05E+08 8.05E+08 7.94E+08 7.81E+08 8.58E+08 8.13E+08 7.85E+08 7.42E+08 7.36E+08 7.21E+08 8.26E+08 8.19E+08 7.90E+08 8.70E+08 8.55E+08 8.29E+08 7.43E+08 7.28E+08 7.81E+08 8.07E+08 8.45E+08 8.52E+08 7.69E+08 8.37E+08 8.36E+08 7.53E+08 7.52E+08 7.30E+08 9.36E+08 9.88E+08 9.97E+08 7.23E+08 6.77E+08 8.26E+08 8.40E+08 8.70E+08 8.16E+08 7.12E+08 7.44E+08 7.59E+08 6.99E+08 6.86E+08 9.33E+08 7.54E+08 7.67E+08 7.24E+08 6.58E+08 6.60E+08 6.55E+08 Valeryl-carnitine; AIF; CE30; MS2Dec 1.25E+06 2.29E+07 2.19E+07 2.02E+07 1.90E+07 1.85E+07 1.71E+07 1.60E+07 1.59E+07 1.52E+07 2.08E+07 1.62E+07 1.37E+07 3.19E+07 2.97E+07 2.39E+07 2.13E+07 2.00E+07 1.45E+07 1.62E+07 1.15E+07 8.46E+06 1.58E+07 1.35E+07 8.94E+06 2.38E+07 2.40E+07 1.78E+07 7.60E+06 8.88E+06 5.99E+06 2.61E+07 2.29E+07 1.46E+07 2.31E+07 1.82E+07 2.15E+07 2.76E+07 3.17E+07 1.78E+07 2.35E+07 2.83E+07 1.65E+07 1.10E+07 1.09E+07 7.08E+06 2.52E+07 3.19E+07 2.22E+07 2.12E+07 1.60E+07 1.23E+07 1.82E+07 2.20E+07 1.52E+07 1.89E+07 1.84E+07 2.13E+07 1.39E+07 1.18E+07 1.96E+07 1.39E+07 1.39E+07 1.10E+07 1.34E+07 7.72E+06 7.42E+06 Vanillic acid 1.75E+03 5.29E+05 5.29E+05 5.10E+05 4.86E+05 4.45E+05 4.15E+05 4.20E+05 4.38E+05 4.01E+05 7.89E+05 7.72E+05 6.62E+05 5.50E+05 6.11E+05 5.73E+05 4.38E+05 5.46E+05 3.66E+05 2.64E+05 2.77E+05 2.14E+05 7.30E+05 9.62E+05 7.60E+05 1.83E+05 2.95E+05 2.56E+05 4.60E+05 6.17E+05 4.56E+05 3.56E+05 4.41E+05 4.71E+05 5.07E+05 7.22E+05 4.97E+05 6.44E+05 8.15E+05 6.96E+05 4.82E+05 4.94E+05 3.97E+05 1.84E+05 5.31E+04 1.59E+05 2.71E+05 2.01E+05 1.68E+05 2.90E+05 2.01E+05 2.70E+05 3.83E+05 4.11E+05 2.32E+05 5.62E+05 5.95E+05 4.92E+05 1.58E+05 1.52E+05 4.38E+05 3.22E+05 3.54E+05 2.12E+05 3.42E+05 3.50E+05 2.33E+05 Xylenesulfonate 3.51E+03 5.67E+05 6.65E+05 6.22E+05 5.82E+05 4.56E+05 4.17E+05 3.99E+05 4.07E+05 3.97E+05 3.14E+05 2.26E+05 1.72E+05 2.47E+05 4.57E+05 2.48E+05 1.57E+05 3.03E+05 2.71E+05 2.31E+05 2.03E+05 1.73E+05 2.49E+05 3.20E+05 2.56E+05 2.00E+05 2.20E+05 2.47E+05 1.76E+05 1.69E+05 1.98E+05 1.80E+05 1.09E+05 1.79E+05 1.57E+05 1.89E+05 1.83E+05 1.53E+05 1.84E+05 1.97E+05 4.24E+05 8.70E+05 4.75E+05 3.75E+05 5.65E+05 5.53E+05 4.65E+05 2.46E+05 9.55E+05 5.64E+05 6.07E+05 6.18E+05 5.69E+05 6.45E+05 6.02E+05 5.19E+05 3.00E+05 5.36E+05 6.26E+05 3.78E+05 5.68E+05 3.58E+05 4.06E+05 5.62E+05 5.51E+05 1.79E+05 6.81E+05 β-Muricholic acid 1.28E+04 4.98E+06 4.05E+06 3.96E+06 3.79E+06 4.47E+06 4.46E+06 4.21E+06 4.23E+06 3.38E+06 9.49E+05 9.56E+05 1.44E+06 2.26E+06 5.28E+05 1.08E+06 8.47E+05 1.99E+05 2.78E+05 5.27E+05 6.19E+05 4.23E+05 7.02E+05 6.89E+05 4.86E+05 1.21E+07 9.49E+06 1.48E+06 6.47E+06 3.90E+06 1.66E+06 2.33E+06 2.62E+06 3.73E+06 1.90E+06 1.31E+06 4.56E+06 3.01E+06 7.22E+06 1.18E+07 9.98E+05 5.09E+05 4.53E+05 2.05E+06 2.77E+06 7.45E+05 4.62E+07 1.62E+07 2.71E+07 7.18E+05 5.13E+05 4.64E+05 6.38E+05 2.99E+05 2.42E+05 3.20E+06 1.88E+06 3.43E+07 2.18E+06 9.46E+05 5.78E+06 4.18E+05 3.01E+05 2.43E+05 1.97E+06 2.02E+06 7.98E+05 γ-Linolenic acid 1.48E+06 6.59E+07 6.78E+07 6.94E+07 6.39E+07 6.79E+07 6.18E+07 5.62E+07 5.72E+07 5.71E+07 1.55E+07 1.29E+07 1.66E+07 2.52E+07 2.38E+07 3.08E+07 4.06E+07 3.88E+07 3.18E+07 6.02E+07 6.31E+07 5.90E+07 7.53E+07 9.63E+07 8.58E+07 6.77E+07 7.76E+07 7.08E+07 8.21E+07 9.20E+07 8.25E+07 1.03E+08 1.06E+08 9.69E+07 3.41E+07 3.66E+07 3.23E+07 5.26E+07 6.06E+07 5.91E+07 3.67E+07 4.65E+07 4.23E+07 7.83E+07 6.54E+07 7.25E+07 6.99E+07 7.17E+07 7.21E+07 8.28E+07 7.20E+07 8.49E+07 6.13E+07 5.89E+07 5.74E+07 5.29E+07 4.84E+07 5.04E+07 5.99E+07 5.45E+07 4.93E+07 3.45E+07 3.42E+07 3.17E+07 1.19E+08 1.35E+08 1.16E+08 δ-Ribono-1,4-lactone 4.58E+05 5.59E+06 7.36E+06 7.58E+06 9.98E+06 7.39E+06 8.17E+06 7.79E+06 8.64E+06 7.81E+06 1.96E+06 9.52E+06 4.35E+06 2.65E+06 5.80E+06 3.70E+06 1.02E+07 5.21E+06 1.33E+07 7.48E+06 1.15E+07 1.48E+07 1.28E+07 6.89E+06 1.22E+07 1.12E+07 7.30E+06 1.68E+07 1.38E+07 9.18E+06 1.43E+07 6.59E+06 7.59E+06 5.56E+06 1.83E+06 2.59E+06 3.03E+06 1.39E+06 6.97E+06 1.81E+06 2.96E+06 4.69E+06 6.54E+06 9.77E+05 1.26E+06 1.19E+06 8.11E+05 7.37E+05 1.12E+06 9.75E+06 9.52E+06 1.36E+07 1.33E+07 1.54E+07 1.41E+07 9.34E+06 1.02E+07 1.36E+07 1.11E+07 1.14E+07 4.62E+06 4.06E+06 3.11E+06 5.02E+06 2.12E+06 1.14E+06 2.26E+06 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Reference Ion m/z RT [min] Allopurinol [M+H]+1 137.04584 7.946 Succinic acid [M-H]-1 117.01933 15.72 L-(+)-Lactic acid [M-H]-1 89.02443 9.75 DL-Malic acid [M-H]-1 133.01423 16.561 Pseudouridine [M-H]-1 243.06196 9.954 D-Pantothenic Acid [M-H]-1 218.1032 8.834 Leucine [M+H]+1 132.10192 7.465 Pyruvic acid [M-H]-1 87.00879 7.777 Methylmalonic acid; LC-tDDA; CE20 [M-H]-1 117.01936 14.482 Norlidocaine [M+H]+1 207.14919 3.02 HYDROXYPHENYLLACTIC ACID [M-H]-1 181.05063 9.536 3-Hydroxylidocaine [M+H]+1 251.17543 2.907 Acetyl-L-carnitine [M+H]+1 204.12305 8.936 D-(+)-Tryptophan [M+H]+1 205.09719 10.168 2-Oxobutyric acid [M-H]-1 101.02445 6.013 Xanthine [M-H]-1 151.02613 10.126 L-(-)-Methionine [M-H]-1 148.04378 10.161 Kynurenic acid [M+H]+1 190.04996 6.721 L-Tyrosine [M-H]-1 180.06654 11.663 Lactamide [M+H]+1 90.05498 12.91 NP-015114 [M+H]+1 262.12856 13.229 4-Oxoproline [M-H]-1 128.0353 11.125 Acrylic acid [M-H]-1 71.01385 12.408 Asparagine [M-H]-1 131.04621 13.887 Glu-Gln [M+H]+1 276.11912 15.405 FA 2:0 [M-H]-1 59.0138 12.39 Lidocaine [M+H]+1 235.1806 2.314 Uracil [M-H]-1 111.02006 7.55 Succinic semialdehyde [M-H]-1 101.02447 12.412 Glutaric acid [M-H]-1 131.03503 12.402 PHOSPHOCHOLINE [M+H]+1 184.07341 14.975 4-Hydroxybutyric acid (GHB) [M-H]-1 103.0401 7.346 3-Hydroxybutyric acid [M-H]-1 103.04011 8.908 Arachidonic acid [M-H]-1 303.23277 2.176 11(Z),14(Z)-Eicosadienoic Acid [M-H]-1 307.26405 2.21 Oleic Acid [M-H]-1 281.24844 2.195 Myristic Acid [M-H]-1 227.20145 2.279 Ethyl myristate [M-H]-1 255.2326 2.232 11(Z)-Eicosenoic acid [M-H]-1 309.2797 2.176 L-Isoleucine [M+H]+1 132.10194 9.507 trans-10-Heptadecenoic acid [M-H]-1 267.23245 2.204 URIC ACID [M-H]-1 167.02105 13.063 Isoleucine [M+H]+1 132.10192 9.11 FA 17:0 [M-H]-1 269.24811 2.21 N-Benzylformamide [M+H]+1 136.07577 11.67 L-Phenylalanine [M-H]-1 164.07168 8.874 Docosahexaenoic Acid [M-H]-1 327.23276 2.161 Valeric acid [M-H]-1 101.06085 4.575 Taurochenodeoxycholic Acid (sodium salt) [M-H]-1 498.28965 4.381 16-Hydroxyhexadecanoic acid [M-H]-1 271.22782 2.161 L-Kynurenine [M+H]+1 209.09214 9.5 Glycochenodeoxycholic acid [M-H]-1 448.30698 5.284 L-Histidine [M-H]-1 154.06229 13.07 L-Valine [M+H]+1 118.08615 10.698 NP-018661 [M-H]-1 159.10265 4.205 N6-Acetyl-L-lysine [M+H]+1 189.12344 11.398 LPC 16:0-SN1 [M+H]+1 496.33987 4.502 4-METHYL-2-OXO-PENTANOIC ACID [M-H]-1 129.05575 4.2 Prolinamide [M+H]+1 115.08664 6.75 SN-GLYCERO-3-PHOSPHOCHOLINE [M+H]+1 258.11013 12.652 6-Hydroxycaproic acid [M-H]-1 131.07136 5.308 β-Alanine [M-H]-1 88.04044 14.56 Valdecoxib [M+H]+1 315.07987 14.998 Decanoylcarnitine [M+H]+1 316.24829 4.548 Propionylcarnitine [M+H]+1 218.13876 7.858 10-Propoxydecanoic acid [M-H]-1 229.18063 2.357 Mesaconic acid [M-H]-1 129.01933 18.017 trans-Aconitic acid [M-H]-1 173.00908 18.016 2-HYDROXYOCTANOIC ACID [M-H]-1 159.10266 2.684 1,5-ANHYDRO-GLUCITOL [M-H]-1 163.06122 9.337 Ortophosphate [M-H]-1 96.96959 17.712 Hexanoylcarnitine [M+H]+1 260.18566 3.142 Decanoic acid [M-H]-1 171.13906 2.522 12-Hydroxyoctadecanoic acid [M-H]-1 299.25894 2.205 Arachidic Acid [M-H]-1 311.29538 2.179 Glycocholic acid [M-H]-1 464.30179 6.765 (2R)-2,3-Dihydroxypropanoic acid [M-H]-1 105.01938 12.323 (S)-(+)-2-Amino-1-propanol [M+H]+1 76.07568 8.213 1-(4-fluorobenzyl)-4,5-dihydro-1H-1,2,3,4-tetraazole-5-thione [M-H]-1 209.03 17.575 1-(phenylsulfonyl)-1,2,3,4,6,10b-hexahydropyrimido[2,1-a]isoindol-6-one [M+H]+1 329.09567 14.604 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione [M+H]+1 195.08775 2.776 10-HYDROXYDECANOIC ACID [M-H]-1 187.13388 2.429 1-Aminocyclohexanecarboxylic acid [M+H]+1 144.10201 8.592 1-AMINOCYCLOPROPANECARBOXYLATE [M+H]+1 102.05501 12.924 1-Methylhistidine [M+H]+1 170.09247 10.933 1-Methyluric acid [M-H]-1 181.03664 11.139 1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine [M-H]-1 480.30953 2.925 1-Stearoylglycerol [M+H]+1 359.31572 2.224 1-Stearoyl-sn-glycero-3-phosphocholine [M+H]+1 524.3707 2.924 2-(1H-indol-3-yl)acetic acid [M+H]+1 176.07068 8.393 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) [M-H]-1 339.23276 2.162 2,5-dihydroxybenzenesulfonate [M-H]-1 188.98629 3.822 2-Aminoadipic acid [M+H]+1 162.07614 15.002 2-Ethylhexanoic acid [M-H]-1 143.10775 2.737 2-Hydroxypyridine sulfate [M-H]-1 173.98662 4.091 2-Methoxyphenol sulfate [M-H]-1 203.00181 3.594 2-Oxindole [M+H]+1 134.06009 6.707 2-Oxoglutaric acid [M-H]-1 145.01422 16.149 3-Aminobenzamide [M+H]+1 137.07103 11.408 3-Hydroxy-2-methyl-4-pyrone sulfate [M-H]-1 204.98107 4.351 3-Hydroxyphenylacetic acid [M-H]-1 151.04002 4.461 3-Hydroxypyridine [M+H]+1 96.04443 3.794 3-Hydroxyvaleric acid [M-H]-1 117.05574 6.149 3-Indoxyl sulphate [M-H]-1 212.00211 6.172 3-Methylhistidine [M+H]+1 170.09246 12.08 3-Methylpyrazole [M+H]+1 83.0604 12.866 4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile [M+H]+1 240.102 6.669 4-Acetamidobutanoic acid [M+H]+1 146.08124 9.131 4-Indolecarbaldehyde [M-H]-1 144.04548 2.775 4-Methoxyphenol sulfate [M-H]-1 203.00175 2.595 4-Pyridoxic acid [M-H]-1 182.04591 3.797 4-QUINOLINECARBOXYLIC ACID [M+H]+1 174.05503 6.166 5,5-Dimethylhydantoin [M-H]-1 127.05135 13.593 5-[4-(phenylsulfonyl)phenyl]-1H-pyrazole [M+H]+1 285.06944 15.979 5-Acetylamino-6-amino-3-methyluracil; AIF; CE0; MS2Dec [M+H]+1 199.08269 8.38 5-Aminolevulinic acid [M+H]+1 132.06558 11.496 5-Methyl-uridine [M+H]+1 259.09251 13.241 5-Nitro-o-toluidine [M+H]+1 153.06593 4.29 6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol [M+H]+1 151.06153 6.395 7-Methylguanine [M+H]+1 166.07237 7.497 7-Methylguanosine [M+H]+1 298.11468 8.072 Abietic acid [M-H]-1 301.2171 2.19 Acetohydroxamic acid [M+H]+1 76.03932 13.858 Acetylcholine [M+H]+1 146.11766 11.372 Acetyl-β-methylcholine [M+H]+1 160.13354 11.284 Adipic acid [M-H]-1 145.05061 14.713 Azelaic acid [M-H]-1 187.09746 2.207 BETAINE [M+H]+1 118.08629 8.838 Betonicine; AIF; CE10; CorrDec [M+H]+1 160.09688 10.146 Bilirubin [M+H]+1 585.27091 3.906 Biliverdin [M-H]-1 581.24093 3.961 Butyryl-carnitine; AIF; CE10; CorrDec [M+H]+1 232.15438 7.08 CHOLIC ACID [M-H]-1 407.28027 5.546 Choline [M+H]+1 104.10704 2.915 cis-4-Hydroxy-D-proline [M+H]+1 132.06599 12.616 Citraconic acid [M-H]-1 129.01934 14.892 Citric acid [M-H]-1 191.01962 18.447 CMPF [M-H]-1 239.09227 6.51 Creatine [M+H]+1 132.07665 12.692 Creatinine [M+H]+1 114.06619 7.12 D-(-)-Quinic acid [M-H]-1 191.05609 13.004 D(+)-Phenyllactic acid [M-H]-1 165.05567 4.803 D-(+)-Pipecolinic acid [M+H]+1 130.08639 9.045 D-(+)-Proline [M+H]+1 116.07065 10.658 D-(+)-Xylose [M-H]-1 149.04567 13.018 D-Alanyl-D-alanine [M-H]-1 159.07747 13.59 D-Carnitine [M+H]+1 162.11249 11.244 Deoxycholic Acid [M-H]-1 391.28535 4.517 DG 16:0_24:6 [M-H]-1 667.5333 2.168 DG 18:1_18:1 [M+H]+1 621.54549 2.145 DL-Arginine [M+H]+1 175.11904 19.231 DL-Dipalmitoylphosphatidylcholine [M+H]+1 734.56943 2.501 DL-Glutamine [M-H]-1 145.06187 13.59 DL-Homoserine [M-H]-1 118.05106 12.929 DL-Lysine [M-H]-1 145.09829 18.735 DL-Serine [M+H]+1 106.04992 14.115 DL-threo-beta-Methylaspartic acid [M-H]-1 146.04595 12.968 DL-α-Aminocaprylic acid [M+H]+1 160.13327 6.61 DL-β-Leucine [M+H]+1 132.10196 8.223 D-α-Tocopherol [M-H]-1 429.37371 2.165 Ecgonine [M+H]+1 186.11255 9.131 epiandrosterone sulfate [M-H]-1 369.1737 2.157 Erucamide [M+H]+1 338.34192 2.216 Ethylenediaminetetraacetic acid (EDTA) [M+H]+1 293.09801 15.167 FA 16:2 [M+H]+1 253.2163 2.274 FA 23:0 [M-H]-1 353.34239 2.138 FA 26:1 [M-H]-1 393.3737 2.14 FA 9:0+1O [M-H]-1 173.11826 2.594 FAHFA 27:2 [M+H]+1 437.36264 2.065 Gabapentin [M+H]+1 172.13325 10.727 Gentisic acid [M-H]-1 153.01935 2.574 Glycine [M-H]-1 74.02478 12.928 Glycylproline [M+H]+1 173.09208 12.029 Guanidineacetic acid [M+H]+1 118.0612 13.761 Hippuric acid [M+H]+1 180.06563 6.387 HOMOARGININE [M+H]+1 189.1347 19.068 HOMOCITRULLINE [M+H]+1 190.11868 13.519 Homostachydrine [M+H]+1 158.11759 7.59 Imidazolelactic acid [M+H]+1 157.06084 11.819 INDOLEPROPIONIC ACID [M-H]-1 188.0716 6.254 Isocitric acid [M-H]-1 191.01963 18.23 L-(+)-Citrulline [M+H]+1 176.10305 14.262 L(+)-Ornithine [M+H]+1 133.09719 18.093 Laurolactam [M+H]+1 198.18536 2.207 L-Carnitine [M+H]+1 162.11253 9.648 L-Cysteine-S-sulfate [M-H]-1 199.96918 16.577 L-Cystine [M+H]+1 241.03118 15.673 lenticin [M+H]+1 247.14415 6.975 L-Ergothioneine [M+H]+1 230.09587 12.6 L-Glutamic acid [M+H]+1 148.06052 14.799 Linoleic Acid [M+H]+1 281.2475 2.231 L-Methionine sulfoxide [M+H]+1 166.0533 12.502 LPA 16:0 [M-H]-1 409.236 2.944 LPC 14:0-SN1 [M+H]+1 468.30855 4.515 LPC 17:0-SN1 [M+H]+1 510.35538 4.489 LPC 18:0-SN1 [M+H]+1 524.37076 4.482 LPC 18:2-SN1 [M+H]+1 520.33982 4.498 LPC 20:3-SN1 [M+H]+1 546.35536 4.476 LPC 20:4-SN1 [M+H]+1 544.3397 2.925 LPC O-16:0 [M+H]+1 482.36073 2.928 LPC O-18:1 [M+H]+1 508.37606 4.496 LPE 16:0 [M-H]-1 452.27831 4.523 LPE 18:1 [M+H]+1 480.30868 4.523 LPE 18:2 [M+H]+1 478.29303 4.521 LPE 20:4 [M-H]-1 500.2784 4.51 L-Pyroglutamic acid [M-H]-1 128.03537 13.587 methyl {[(2-oxo-2H-pyran-6-yl)carbonyl]amino}methanethioate [M-H]-1 212.00215 6.709 Methyl isonicotinate [M+H]+1 138.05502 9.461 Methylimidazoleacetic acid [M+H]+1 141.06594 9.796 MGH3_methylglyoxal-derived hydroimidazolone 3 [M+H]+1 229.12965 13.482 Myriocin [M+H]+1 402.28526 5.462 N,N-Dimethyl-lysine; AIF; CE0; MS2Dec [M+H]+1 175.14421 15.904 N4-Acetylcytidine [M+H]+1 286.10344 6.327 N6,N6,N6-Trimethyl-L-lysine [M+H]+1 189.15984 16.673 N6-Me-Adenosine [M+H]+1 282.11974 10.23 N6-Methyl-lysine; AIF; CE10; MS2Dec [M+H]+1 161.12851 17.69 N-Acetyl-L-carnosine [M+H]+1 269.12453 10.897 Nicotinamide [M+H]+1 123.05533 4.505 Nipecotic acid [M-H]-1 128.07168 10.354 N-Methyl-2-pyrrolidone [M+H]+1 100.07574 2.955 Nonanoic acid [M-H]-1 157.12331 2.208 NP-016582 [M+H]+1 306.27927 1.943 N-Phenylacetylglutamine [M+H]+1 265.11831 6.909 N-α-L-Acetyl-arginine [M+H]+1 217.1296 12.908 OCTANOYLCARNITINE [M+H]+1 288.21701 5.025 Oleamide [M+H]+1 282.27919 1.953 Oleoyl ethanolamide [M+H-H2O]+1 308.29491 1.953 Oleoyl-L-α-lysophosphatidic acid [M-H]-1 435.25164 4.513 Ornithine [M+H]+1 133.09722 11.724 Palmitoleic acid [M+H]+1 255.23197 2.25 Palmitoyl sphingomyelin [M+H]+1 703.57458 2.816 PC 32:1 [M+H]+1 732.55393 2.514 PC 38:3 [M+H]+1 812.61406 2.387 PC O-36:5 [M+H]+1 766.57422 2.397 PC(16:0/0:0) [M+H]+1 496.33995 2.929 P-CRESOL SULFATE [M-H]-1 187.00701 2.547 PE O-18:1_20:4 [M+H]+1 752.55932 3.453 Pentacosanoic acid [M-H]-1 381.37359 2.158 Phenol sulfate [M-H]-1 172.99139 3.56 Piperidine [M+H]+1 86.09645 10.626 Proline [M+H]+1 116.07068 4.675 Prolylleucine [M+H]+1 229.15474 7.941 P-TOLUENESULFONIC ACID [M-H]-1 171.01217 4.413 Pyrrolidine [M+H]+1 72.08079 13.002 Salicylic acid [M-H]-1 137.02436 4.255 SM d32:1 [M+H]+1 675.54357 2.852 SM d34:2 [M+H]+1 701.55963 3.929 SM d36:2 [M+H]+1 729.59054 2.771 S-Methyl-L-cysteine-S-oxide [M-H]-1 150.02304 12.117 S-Methyl-methionine; AIF; CE10; MS2Dec [M+H]+1 164.07403 14.372 ST 27:1;O;S [M-H]-1 465.30459 1.948 ST 28:1;O;S [M-H]-1 479.31991 1.951 ST 29:1;O;S [M-H]-1 493.33573 1.941 Stearic Acid [M-H]-1 283.26371 2.213 Taurine [M+H]+1 126.02201 13.382 Testosterone sulfate [M-H]-1 367.15842 2.145 Theophylline [M+H]+1 181.07211 3.009 trans-3-Indoleacrylic acid [M-H]-1 186.05595 6.971 Trifluoroacetic acid [M-H]-1 112.98567 3.561 Urea [M+H]+1 61.0396 7.516 Valeryl-carnitine; AIF; CE30; MS2Dec [M+H]+1 246.17002 6.492 Vanillic acid [M-H]-1 167.03495 4.376 Xylenesulfonate [M-H]-1 185.02776 3.873 β-Muricholic acid [M-H]-1 407.28024 5.918 γ-Linolenic acid [M+H]+1 279.23187 2.248 δ-Ribono-1,4-lactone [M-H]-1 147.02989 14.886 METABOLITES_END #END