#METABOLOMICS WORKBENCH scarlettcanny@gmail.com_20160309_9710351_mwtab.txt DATATRACK_ID:552 efahy_20160310_073333 STUDY_ID:ST000356 ANALYSIS_ID:AN000583 PROJECT_ID:PR000284 VERSION 1 CREATED_ON March 10, 2016, 8:09 am #PROJECT PR:PROJECT_TITLE Breast Cancer GC/MS and LC/MS plasma and serum data from City of Hope Hospital PR:PROJECT_TYPE GC/MS and LC/MS metabolomics profiling PR:PROJECT_SUMMARY Breast cancer diagnosis profiling PR:INSTITUTE UNIVERSITY OF HAWAII CANCER CENTER PR:DEPARTMENT Metabolomics Shared Resource, Cancer Center PR:LAST_NAME Xie PR:FIRST_NAME Guoxiang PR:ADDRESS 701 ILALO STREET HONOLULU, HI 96813 PR:EMAIL gxie@cc.hawaii.edu PR:PHONE (808) 564-5938 #STUDY ST:STUDY_TITLE GC/MS and LC/MS metabolomics profiling for breast cancer serum data and control ST:STUDY_TITLE serum data ST:STUDY_TYPE metabolomics profiling ST:STUDY_SUMMARY Use GC/MS and LC/MS technique to profile breast cancer samples and normal ST:STUDY_SUMMARY control samples ST:INSTITUTE UNIVERSITY OF HAWAII CANCER CENTER ST:LABORATORY Metabolomics Shared Resource ST:LAST_NAME Xie ST:FIRST_NAME Guoxiang ST:ADDRESS 701 ILALO STREET HONOLULU, HI 96813 ST:EMAIL gxie@cc.hawaii.edu ST:PHONE (808) 564-5938 #SUBJECT SU:SUBJECT_TYPE Human breast cancer and normal controls serum metabolomics profiling SU:SUBJECT_SPECIES Homo sapiens #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 106_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 109_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 112_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 115_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 118_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 12_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 121_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 124_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 138_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 16_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 20_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 24_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 28_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 32_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 36_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 4_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 40_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 44_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 48_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 52_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 56_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 60_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 64_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 67_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 70_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 73_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 79_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 8_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 85_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 91_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 97_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 125_1 Diagnosis:breast cancer | stage:2 YOB=1954; race=Asian SUBJECT_SAMPLE_FACTORS - 131_1 Diagnosis:breast cancer | stage:2 YOB=1939; race=Asian SUBJECT_SAMPLE_FACTORS - 14_1 Diagnosis:breast cancer | stage:2 YOB=1956; race=Asian SUBJECT_SAMPLE_FACTORS - 17_1 Diagnosis:breast cancer | stage:2 YOB=1960; race=Asian SUBJECT_SAMPLE_FACTORS - 45_1 Diagnosis:breast cancer | stage:2 YOB=1958; race=Asian SUBJECT_SAMPLE_FACTORS - 58_1 Diagnosis:breast cancer | stage:2 YOB=1970; race=Asian SUBJECT_SAMPLE_FACTORS - 63_1 Diagnosis:breast cancer | stage:2 YOB=1960; race=Asian SUBJECT_SAMPLE_FACTORS - 105_1 Diagnosis:breast cancer | stage:2 YOB=1960; race=Black SUBJECT_SAMPLE_FACTORS - 114_1 Diagnosis:breast cancer | stage:2 YOB=1955; race=Black SUBJECT_SAMPLE_FACTORS - 139_1 Diagnosis:breast cancer | stage:2 YOB=1972; race=Black SUBJECT_SAMPLE_FACTORS - 26_1 Diagnosis:breast cancer | stage:2 YOB=1966; race=Black SUBJECT_SAMPLE_FACTORS - 77_1 Diagnosis:breast cancer | stage:2 YOB=1968; race=Black SUBJECT_SAMPLE_FACTORS - 108_1 Diagnosis:breast cancer | stage:2 YOB=1977; race=Other SUBJECT_SAMPLE_FACTORS - 122_1 Diagnosis:breast cancer | stage:2 YOB=1945; race=Other SUBJECT_SAMPLE_FACTORS - 15_1 Diagnosis:breast cancer | stage:2 YOB=1958; race=Other SUBJECT_SAMPLE_FACTORS - 29_1 Diagnosis:breast cancer | stage:2 YOB=1968; race=Other SUBJECT_SAMPLE_FACTORS - 98_1 Diagnosis:breast cancer | stage:2 YOB=1974; race=Other SUBJECT_SAMPLE_FACTORS - 104_1 Diagnosis:breast cancer | stage:2 YOB=1943; race=White SUBJECT_SAMPLE_FACTORS - 107_1 Diagnosis:breast cancer | stage:2 YOB=1965; race=White SUBJECT_SAMPLE_FACTORS - 11_1 Diagnosis:breast cancer | stage:2 YOB=1961; race=White SUBJECT_SAMPLE_FACTORS - 110_1 Diagnosis:breast cancer | stage:2 YOB=1963; race=White SUBJECT_SAMPLE_FACTORS - 111_1 Diagnosis:breast cancer | stage:2 YOB=1955; race=White SUBJECT_SAMPLE_FACTORS - 113_1 Diagnosis:breast cancer | stage:2 YOB=1975; race=White SUBJECT_SAMPLE_FACTORS - 117_1 Diagnosis:breast cancer | stage:2 YOB=1967; race=White SUBJECT_SAMPLE_FACTORS - 119_1 Diagnosis:breast cancer | stage:2 YOB=1959; race=White SUBJECT_SAMPLE_FACTORS - 128_1 Diagnosis:breast cancer | stage:2 YOB=1947; race=White SUBJECT_SAMPLE_FACTORS - 129_1 Diagnosis:breast cancer | stage:2 YOB=1959; race=White SUBJECT_SAMPLE_FACTORS - 134_1 Diagnosis:breast cancer | stage:2 YOB=1965; race=White SUBJECT_SAMPLE_FACTORS - 136_1 Diagnosis:breast cancer | stage:2 YOB=1957; race=White SUBJECT_SAMPLE_FACTORS - 140_1 Diagnosis:breast cancer | stage:2 YOB=1948; race=White SUBJECT_SAMPLE_FACTORS - 143_1 Diagnosis:breast cancer | stage:2 YOB=1945; race=White SUBJECT_SAMPLE_FACTORS - 19_1 Diagnosis:breast cancer | stage:2 YOB=1953; race=White SUBJECT_SAMPLE_FACTORS - 23_1 Diagnosis:breast cancer | stage:2 YOB=1947; race=White SUBJECT_SAMPLE_FACTORS - 25_1 Diagnosis:breast cancer | stage:2 YOB=1970; race=White SUBJECT_SAMPLE_FACTORS - 30_1 Diagnosis:breast cancer | stage:2 YOB=1945; race=White SUBJECT_SAMPLE_FACTORS - 33_1 Diagnosis:breast cancer | stage:2 YOB=1958; race=White SUBJECT_SAMPLE_FACTORS - 49_1 Diagnosis:breast cancer | stage:2 YOB=1958; race=White SUBJECT_SAMPLE_FACTORS - 53_1 Diagnosis:breast cancer | stage:2 YOB=1944; race=White SUBJECT_SAMPLE_FACTORS - 54_1 Diagnosis:breast cancer | stage:2 YOB=1955; race=White SUBJECT_SAMPLE_FACTORS - 57_1 Diagnosis:breast cancer | stage:2 YOB=1962; race=White SUBJECT_SAMPLE_FACTORS - 59_1 Diagnosis:breast cancer | stage:2 YOB=1944; race=White SUBJECT_SAMPLE_FACTORS - 6_1 Diagnosis:breast cancer | stage:2 YOB=1959; race=White SUBJECT_SAMPLE_FACTORS - 61_1 Diagnosis:breast cancer | stage:2 YOB=1948; race=White SUBJECT_SAMPLE_FACTORS - 69_1 Diagnosis:breast cancer | stage:2 YOB=1963; race=White SUBJECT_SAMPLE_FACTORS - 71_1 Diagnosis:breast cancer | stage:2 YOB=1962; race=White SUBJECT_SAMPLE_FACTORS - 81_1 Diagnosis:breast cancer | stage:2 YOB=1962; race=White SUBJECT_SAMPLE_FACTORS - 86_1 Diagnosis:breast cancer | stage:2 YOB=1956; race=White SUBJECT_SAMPLE_FACTORS - 92_1 Diagnosis:breast cancer | stage:2 YOB=1947; race=White SUBJECT_SAMPLE_FACTORS - 99_1 Diagnosis:breast cancer | stage:2 YOB=1967; race=White SUBJECT_SAMPLE_FACTORS - 31_1 Diagnosis:breast cancer | stage:2 YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 126_1 Diagnosis:breast cancer | stage:3 YOB=1954; race=Asian SUBJECT_SAMPLE_FACTORS - 135_1 Diagnosis:breast cancer | stage:3 YOB=1958; race=Asian SUBJECT_SAMPLE_FACTORS - 21_1 Diagnosis:breast cancer | stage:3 YOB=1955; race=Asian SUBJECT_SAMPLE_FACTORS - 34_1 Diagnosis:breast cancer | stage:3 YOB=1962; race=Asian SUBJECT_SAMPLE_FACTORS - 35_1 Diagnosis:breast cancer | stage:3 YOB=1967; race=Asian SUBJECT_SAMPLE_FACTORS - 10_1 Diagnosis:breast cancer | stage:3 YOB=1948; race=Native American SUBJECT_SAMPLE_FACTORS - 96_1 Diagnosis:breast cancer | stage:3 YOB=1965; race=Other SUBJECT_SAMPLE_FACTORS - 72_1 Diagnosis:breast cancer | stage:3 YOB=1968; race=unknown SUBJECT_SAMPLE_FACTORS - 1_1 Diagnosis:breast cancer | stage:3 YOB=1964; race=White SUBJECT_SAMPLE_FACTORS - 101_1 Diagnosis:breast cancer | stage:3 YOB=1952; race=White SUBJECT_SAMPLE_FACTORS - 102_1 Diagnosis:breast cancer | stage:3 YOB=1961; race=White SUBJECT_SAMPLE_FACTORS - 116_1 Diagnosis:breast cancer | stage:3 YOB=1960; race=White SUBJECT_SAMPLE_FACTORS - 120_1 Diagnosis:breast cancer | stage:3 YOB=1943; race=White SUBJECT_SAMPLE_FACTORS - 13_1 Diagnosis:breast cancer | stage:3 YOB=1949; race=White SUBJECT_SAMPLE_FACTORS - 132_1 Diagnosis:breast cancer | stage:3 YOB=1945; race=White SUBJECT_SAMPLE_FACTORS - 137_1 Diagnosis:breast cancer | stage:3 YOB=1967; race=White SUBJECT_SAMPLE_FACTORS - 141_1 Diagnosis:breast cancer | stage:3 YOB=1966; race=White SUBJECT_SAMPLE_FACTORS - 142_1 Diagnosis:breast cancer | stage:3 YOB=1957; race=White SUBJECT_SAMPLE_FACTORS - 18_1 Diagnosis:breast cancer | stage:3 YOB=1957; race=White SUBJECT_SAMPLE_FACTORS - 2_1 Diagnosis:breast cancer | stage:3 YOB=1973; race=White SUBJECT_SAMPLE_FACTORS - 22_1 Diagnosis:breast cancer | stage:3 YOB=1959; race=White SUBJECT_SAMPLE_FACTORS - 27_1 Diagnosis:breast cancer | stage:3 YOB=1951; race=White SUBJECT_SAMPLE_FACTORS - 3_1 Diagnosis:breast cancer | stage:3 YOB=1965; race=White SUBJECT_SAMPLE_FACTORS - 38_1 Diagnosis:breast cancer | stage:3 YOB=1963; race=White SUBJECT_SAMPLE_FACTORS - 39_1 Diagnosis:breast cancer | stage:3 YOB=1977; race=White SUBJECT_SAMPLE_FACTORS - 41_1 Diagnosis:breast cancer | stage:3 YOB=1965; race=White SUBJECT_SAMPLE_FACTORS - 42_1 Diagnosis:breast cancer | stage:3 YOB=1942; race=White SUBJECT_SAMPLE_FACTORS - 46_1 Diagnosis:breast cancer | stage:3 YOB=1969; race=White SUBJECT_SAMPLE_FACTORS - 47_1 Diagnosis:breast cancer | stage:3 YOB=1947; race=White SUBJECT_SAMPLE_FACTORS - 5_1 Diagnosis:breast cancer | stage:3 YOB=1975; race=White SUBJECT_SAMPLE_FACTORS - 51_1 Diagnosis:breast cancer | stage:3 YOB=1961; race=White SUBJECT_SAMPLE_FACTORS - 55_1 Diagnosis:breast cancer | stage:3 YOB=1970; race=White SUBJECT_SAMPLE_FACTORS - 62_1 Diagnosis:breast cancer | stage:3 YOB=1964; race=White SUBJECT_SAMPLE_FACTORS - 65_1 Diagnosis:breast cancer | stage:3 YOB=1959; race=White SUBJECT_SAMPLE_FACTORS - 66_1 Diagnosis:breast cancer | stage:3 YOB=1955; race=White SUBJECT_SAMPLE_FACTORS - 68_1 Diagnosis:breast cancer | stage:3 YOB=1951; race=White SUBJECT_SAMPLE_FACTORS - 74_1 Diagnosis:breast cancer | stage:3 YOB=1954; race=White SUBJECT_SAMPLE_FACTORS - 75_1 Diagnosis:breast cancer | stage:3 YOB=1950; race=White SUBJECT_SAMPLE_FACTORS - 78_1 Diagnosis:breast cancer | stage:3 YOB=1944; race=White SUBJECT_SAMPLE_FACTORS - 87_1 Diagnosis:breast cancer | stage:3 YOB=1945; race=White SUBJECT_SAMPLE_FACTORS - 89_1 Diagnosis:breast cancer | stage:3 YOB=1959; race=White SUBJECT_SAMPLE_FACTORS - 9_1 Diagnosis:breast cancer | stage:3 YOB=1944; race=White SUBJECT_SAMPLE_FACTORS - 90_1 Diagnosis:breast cancer | stage:3 YOB=1954; race=White SUBJECT_SAMPLE_FACTORS - 95_1 Diagnosis:breast cancer | stage:3 YOB=1975; race=White SUBJECT_SAMPLE_FACTORS - 7_1 Diagnosis:breast cancer | stage:3 YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 83_1 Diagnosis:breast cancer | stage:3 YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 93_1 Diagnosis:breast cancer | stage:3 YOB=1946; race=- SUBJECT_SAMPLE_FACTORS - 84_1 Diagnosis:breast cancer | stage:- YOB=1953; race=Black SUBJECT_SAMPLE_FACTORS - 123_1 Diagnosis:breast cancer | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 37_1 Diagnosis:breast cancer | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 43_1 Diagnosis:breast cancer | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 50_1 Diagnosis:breast cancer | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 80_1 Diagnosis:breast cancer | stage:- YOB=-; race=- #COLLECTION CO:COLLECTION_SUMMARY city of hope metabolomics serum profiling data #TREATMENT TR:TREATMENT_SUMMARY No treatment done for these samples #SAMPLEPREP SP:SAMPLEPREP_SUMMARY A 50 µL aliquot of plasma/serum sample was spiked with two internal standard SP:SAMPLEPREP_SUMMARY solutions (10 µl p-chlorophenylalanine in water, 0.1 mg/mL; 10 µL SP:SAMPLEPREP_SUMMARY heptadecanoic acid in methanol, 1 mg/mL). The mixed solution was extracted with SP:SAMPLEPREP_SUMMARY 175 µL of methanol: chloroform (3:1) and vortexed for 30 seconds. After storing SP:SAMPLEPREP_SUMMARY for 10 minutes at –20°C, the samples were centrifuged at 13,000 rpm for 10 SP:SAMPLEPREP_SUMMARY minutes. An aliquot of 200 µL supernatant was transferred to a glass sampling SP:SAMPLEPREP_SUMMARY vial to vacuum dry at room temperature. The residue was derivatized using a SP:SAMPLEPREP_SUMMARY two-step procedure. First, 50 µL methoxyamine (15 mg/mL in pyridine) was added SP:SAMPLEPREP_SUMMARY to the vial and kept at 30°C for 90 minutes. After adding 10 µL C10-C40 (all SP:SAMPLEPREP_SUMMARY even alkanes, 12.5 µg/mL) as retention index, 50 µL N,O-bis-(trimetylsilyl) SP:SAMPLEPREP_SUMMARY trifluoroacetamide (BSTFA) (1% trimethylchlorosilane, TMCS) was added to the SP:SAMPLEPREP_SUMMARY samples, before being derivatized at 70°C for 60 minutes. Each 1 µL aliquot of SP:SAMPLEPREP_SUMMARY the derivatized solution was injected in splitless mode into an Agilent 6890N SP:SAMPLEPREP_SUMMARY gas chromatography coupled with a Pegasus HT time-of-flight mass spectrometry SP:SAMPLEPREP_SUMMARY (Leco Co., St. Joseph, MI, USA). To minimize systematic analytical deviations, SP:SAMPLEPREP_SUMMARY each control sample was separated by 1 or 2 breast cancer samples. Breast cancer SP:SAMPLEPREP_SUMMARY samples from different stages were also run evenly in the whole experiment. SP:SAMPLEPREP_SUMMARY Separation was achieved on an Rxi-5 ms capillary column (Crossbond ® 5% SP:SAMPLEPREP_SUMMARY diphenyl/95% dimethyl polysiloxane, Restek, PA, USA), with helium as the carrier SP:SAMPLEPREP_SUMMARY gas at a constant flow rate of 1.0 mL/min. The temperatures of injection, SP:SAMPLEPREP_SUMMARY transfer interface, and ion source were set to 260, 260, and 210°C, SP:SAMPLEPREP_SUMMARY respectively. The GC temperature programming was set to 2 min isothermal heating SP:SAMPLEPREP_SUMMARY at 80°C, followed by 10°C/min oven temperature ramped to 220°C, 5°C/min to SP:SAMPLEPREP_SUMMARY 240°C, and 25°C/min to 290°C, and a final eight minute maintenance at 290°C. SP:SAMPLEPREP_SUMMARY Electron impact ionization (70 eV) at full scan mode (m/z 40–600) was used, SP:SAMPLEPREP_SUMMARY with an acquisition rate of 20 spectra/second in the TOFMS setting. The data SP:SAMPLEPREP_SUMMARY generated in the GC-TOFMS instrument were analyzed by the ChromaTOF software SP:SAMPLEPREP_SUMMARY (v4.33, Leco Co, CA, USA). Using the statistic component, the aligned comma SP:SAMPLEPREP_SUMMARY separated value (CSV) file can be obtained with sample information, peak SP:SAMPLEPREP_SUMMARY information and peak intensity. Peak areas of unique mass were normalized to the SP:SAMPLEPREP_SUMMARY internal standard. Compound identification was performed by comparing the mass SP:SAMPLEPREP_SUMMARY fragments with NIST 05 Standard mass spectral databases in NIST MS search 2.0 SP:SAMPLEPREP_SUMMARY (NIST,Gaithersburg, MD, USA) software with a similarity of more than 70% and SP:SAMPLEPREP_SUMMARY reference standards (with retention time, or retention index if available in the SP:SAMPLEPREP_SUMMARY library, as another parameter). Internal standards and any known artificial SP:SAMPLEPREP_SUMMARY peaks, such as peaks caused by noise, column bleed and BSTFA derivatization SP:SAMPLEPREP_SUMMARY procedure, were removed from the dataset before statistical analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1200 CH:COLUMN_NAME - #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6220 TOF MS:INSTRUMENT_TYPE TOF MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Intensity MS_METABOLITE_DATA_START Samples 106_1 109_1 112_1 115_1 118_1 12_1 121_1 124_1 138_1 16_1 20_1 24_1 28_1 32_1 36_1 4_1 40_1 44_1 48_1 52_1 56_1 60_1 64_1 67_1 70_1 73_1 79_1 8_1 85_1 91_1 97_1 125_1 131_1 14_1 17_1 45_1 58_1 63_1 105_1 114_1 139_1 26_1 77_1 108_1 122_1 15_1 29_1 98_1 104_1 107_1 11_1 110_1 111_1 113_1 117_1 119_1 128_1 129_1 134_1 136_1 140_1 143_1 19_1 23_1 25_1 30_1 33_1 49_1 53_1 54_1 57_1 59_1 6_1 61_1 69_1 71_1 81_1 86_1 92_1 99_1 31_1 126_1 135_1 21_1 34_1 35_1 10_1 96_1 72_1 1_1 101_1 102_1 116_1 120_1 13_1 132_1 137_1 141_1 142_1 18_1 2_1 22_1 27_1 3_1 38_1 39_1 41_1 42_1 46_1 47_1 5_1 51_1 55_1 62_1 65_1 66_1 68_1 74_1 75_1 78_1 87_1 89_1 9_1 90_1 95_1 7_1 83_1 93_1 84_1 123_1 37_1 43_1 50_1 80_1 Factors Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:- Diagnosis:breast cancer | stage:- Diagnosis:breast cancer | stage:- Diagnosis:breast cancer | stage:- Diagnosis:breast cancer | stage:- Diagnosis:breast cancer | stage:- Valine 17.96025107 14.81406999 20.76092014 20.27810533 14.5932794 18.05576286 13.70209162 14.3499431 16.60102747 14.98418859 18.69601814 15.53719549 18.57533381 16.86760407 20.10464251 16.55422494 19.40267894 21.83269957 22.8648972 21.50057538 18.5596329 21.06894633 23.38272433 18.99138332 19.72998432 16.56410411 15.73739273 19.658918 20.62960649 14.22654161 19.05548136 22.92231363 11.87916076 14.45480988 15.10664631 16.01056279 14.06481667 13.69591199 7.490413139 15.17615649 17.93608617 16.31923988 11.17008587 11.27048575 13.06423833 18.20618426 17.01051313 11.62801699 11.1484563 12.04419405 11.90015172 14.4167962 15.528303 14.59282633 11.28198908 13.61630377 12.12557215 12.7531405 13.80929595 14.56800388 13.87747014 13.43985947 17.93860886 11.50908403 15.46633621 10.20471575 19.44752595 13.06221914 20.63298913 14.8887141 12.85848183 17.82910463 15.66466842 12.09764009 12.37824051 15.81549246 18.34441016 13.36108691 11.0288035 11.87174324 12.55993777 10.88010528 17.97835483 18.21158293 18.68970782 16.24290504 12.13631053 9.286219061 14.98329018 15.08979166 11.4931849 21.12567847 12.84586633 19.52591985 14.61698769 18.66305399 13.11663657 15.11429971 15.12658355 10.49301032 17.98091951 15.58199023 14.26803257 15.81985192 20.98231293 15.10357621 14.77688949 17.81095759 13.55020369 9.771575319 21.04630575 12.34135811 14.41523531 16.98261274 16.99125992 8.701084401 20.44819095 15.03297969 16.35806291 9.505479251 14.53531399 15.21693484 17.05911394 9.50281012 8.488350322 15.18553855 11.89693655 11.27053889 17.02511645 16.02723122 17.11359288 17.84125899 10.66891425 14.16445662 Mannose 26.73929574 29.66020027 31.89470206 22.50392401 15.81897206 19.28387065 15.50154703 13.79467824 17.79382799 31.91402824 25.21158209 28.50023617 5.575350217 93.37576539 24.8652655 24.77107948 3.848538406 28.5534482 26.8157612 28.24563286 25.03301158 43.87688773 25.00809015 22.93506705 30.66979474 57.17583426 24.68581111 23.20608031 34.31795177 24.83353895 24.98157866 30.59345239 31.05929682 21.79324566 20.77059528 20.56030159 15.57283164 27.62579003 25.49604838 17.8330093 38.05833479 31.93303302 19.43636552 14.13624215 47.97418777 33.34508533 18.33833285 24.48740846 17.77860326 26.21406036 19.37444729 15.8487139 37.88377459 23.27748734 28.29069768 25.69418932 27.04110882 25.28772314 18.52560179 21.75058246 21.44140191 17.1812054 30.90034214 40.06766598 15.59808475 44.88593859 20.17080273 48.05691768 26.81433765 22.42837261 27.69240306 37.54050263 21.42390922 22.70735574 23.48718455 20.71110353 21.81018533 39.77686021 27.05143154 21.09682725 18.08903714 14.4574312 21.82869093 16.00594366 25.69734495 20.8274573 19.61588357 31.21043891 30.42941349 19.2805169 53.87343569 29.60581826 46.9541179 22.20666739 25.84699974 38.74795921 17.56954347 18.65111714 26.38450627 23.3908123 46.29929302 21.41281182 28.55499629 18.90449419 21.96227043 20.53586865 18.86334227 31.2251234 26.38836304 25.26842252 19.42308193 17.30306957 20.23332875 18.42161665 31.61426336 29.55817037 16.32906895 25.69646452 26.4598977 25.37777792 38.34358854 25.84413469 19.3186221 24.40956845 31.49942963 38.60959136 19.19335357 33.22075414 21.69618219 20.90679037 22.22018965 20.49850143 19.8139929 22.69448514 Sorbose 26.73929574 29.66020027 31.89470206 22.50392401 15.81897206 19.28387065 15.50154703 13.79467824 17.79382799 31.91402824 25.21158209 28.50023617 5.575350217 93.37576539 24.8652655 24.77107948 3.848538406 28.5534482 26.8157612 28.24563286 25.03301158 43.87688773 25.00809015 22.93506705 30.66979474 57.17583426 24.68581111 23.20608031 34.31795177 24.83353895 24.98157866 30.59345239 31.05929682 21.79324566 20.77059528 20.56030159 15.57283164 27.62579003 25.49604838 17.8330093 38.05833479 31.93303302 19.43636552 14.13624215 47.97418777 33.34508533 18.33833285 24.48740846 17.77860326 26.21406036 19.37444729 15.8487139 37.88377459 23.27748734 28.29069768 25.69418932 27.04110882 25.28772314 18.52560179 21.75058246 21.44140191 17.1812054 30.90034214 40.06766598 15.59808475 44.88593859 20.17080273 48.05691768 26.81433765 22.42837261 27.69240306 37.54050263 21.42390922 22.70735574 23.48718455 20.71110353 21.81018533 39.77686021 27.05143154 21.09682725 18.08903714 14.4574312 21.82869093 16.00594366 25.69734495 20.8274573 19.61588357 31.21043891 30.42941349 19.2805169 53.87343569 29.60581826 46.9541179 22.20666739 25.84699974 38.74795921 17.56954347 18.65111714 26.38450627 23.3908123 46.29929302 21.41281182 28.55499629 18.90449419 21.96227043 20.53586865 18.86334227 31.2251234 26.38836304 25.26842252 19.42308193 17.30306957 20.23332875 18.42161665 31.61426336 29.55817037 16.32906895 25.69646452 26.4598977 25.37777792 38.34358854 25.84413469 19.3186221 24.40956845 31.49942963 38.60959136 19.19335357 33.22075414 21.69618219 20.90679037 22.22018965 20.49850143 19.8139929 22.69448514 But-2-enoic acid 0.184628197 0.172723362 0.278098615 0.106181938 0.080675633 0.230560218 0.10789093 0.090351093 0.173020596 0.197171808 0.212391099 0.331782582 2.001569838 0.838846784 0.247134595 0.228759203 1.08001994 0.204894851 0.209995659 0.491119375 0.272898992 0.248189965 0.139127481 0.152111689 0.225491896 0.728403435 0.26478089 0.11864555 0.316834326 0.240029191 0.174478907 3.151786669 4.066379488 3.389974859 5.159295918 4.476155493 3.060010742 2.568772981 4.165868241 3.409107899 1.719151875 1.735894989 2.115599399 2.480934784 4.46905037 4.358564315 4.624325928 1.913000081 2.786742861 4.49787786 4.148660575 2.938669285 3.815824968 3.304145799 1.923709272 4.523021353 2.661585033 2.030172572 2.41515411 1.853045305 2.359501556 1.287335566 4.363005266 6.480473419 2.452476557 3.652457388 3.588496189 3.865652196 5.227818951 4.151057496 2.424237644 2.976070947 2.576784815 1.608931835 2.084484224 4.862696317 2.572145179 1.861332027 3.255300185 3.366067763 5.226320408 3.758343087 2.311393101 3.84687352 3.666477406 4.132896707 1.982020048 4.883661189 6.711084751 1.627976413 3.204678619 3.609381978 4.290450589 5.105016946 3.005447188 0.484097407 2.52399476 2.95361039 3.735484985 3.364592821 2.548627704 4.994822907 5.953341774 2.724222134 3.340353078 3.651442476 2.702877657 3.52275633 2.334349497 5.810641882 3.008203622 4.709032528 1.370536054 4.250506637 2.109383832 3.033953015 3.58915835 4.072921989 1.665506705 2.964759595 3.222773747 3.101292192 5.152920209 4.070674679 2.459978586 3.833672379 3.11371675 3.003454359 3.455258398 2.318463008 4.126706509 4.003392793 1.158013692 4.88138172 Suberic acid 5.690799997 5.118728641 3.431994554 3.503669872 3.469386253 3.766141298 3.453686995 2.991345982 3.911741323 3.740679 5.895193533 5.937355683 3.950062221 3.668078156 4.276931179 2.937259485 2.362727281 5.497969473 4.224205082 4.028261816 4.073557867 4.830942262 4.056949624 3.732533365 4.496514927 3.546216452 4.579160169 3.725627671 7.718217539 3.060942248 5.703695878 3.24387131 2.614307898 2.764076434 3.232482834 3.07389846 3.117785534 3.55631806 3.418916164 2.583607918 3.358973788 3.180632056 3.015690693 2.224777871 3.416255637 2.97100265 3.111501125 3.114856205 2.572042925 2.861239161 3.15974004 2.807035446 2.607434667 3.057177075 2.398125157 2.822917456 3.194035211 3.493128222 2.959682165 3.530547798 2.579812237 2.924083972 3.795517429 3.040081654 2.686370306 2.349910349 3.073644702 2.986508775 3.077906048 2.460568947 3.124633976 3.384282672 2.270790694 3.084277973 2.830932194 3.20043216 3.482925223 2.938838883 2.419962149 2.453210595 2.768743042 2.381186604 3.34815106 2.883886642 4.493442854 3.447129087 1.790481073 2.840204243 3.658877724 2.484043177 2.932150369 3.313490429 3.330929874 2.693812624 2.803503588 4.787455484 2.936200505 3.137177514 3.779909057 3.408718935 3.34478938 4.327296429 3.313712192 2.963257649 2.255185025 2.713976317 2.80179033 3.157313564 2.31996114 2.644771569 2.684000413 2.649941483 2.765551915 4.058031054 3.361175327 2.995855137 3.335045392 3.241408652 2.323901732 2.244496386 3.607474316 4.332706495 2.998349833 2.854778765 3.595535652 2.814174858 3.07837007 2.164210987 2.890757011 3.018047305 3.640257802 2.642617951 2.418604618 2.643516688 Glutamine 17.78573239 17.47808256 27.04998158 20.11858332 16.62367613 18.27974275 15.59490046 18.35132651 14.44350309 11.52526724 5.792772277 13.37553054 5.836967657 17.35940925 25.58055862 6.550461988 3.193612859 20.5867138 15.2903502 23.78960167 6.320412638 6.543134254 15.17795343 9.969719079 9.071335527 8.266163981 20.88438407 9.193732035 4.659180254 17.96990342 6.400740315 36.01829875 32.96597727 36.72201269 36.7414207 53.14630104 39.78784462 35.44279943 43.01501083 26.49767448 31.09061947 32.79179573 42.24220644 40.16621944 47.62827559 24.52143548 48.77892693 29.76752821 30.72254058 41.77477975 52.54205108 46.06387926 35.03410757 33.09654771 28.63866401 39.21625124 36.07345676 37.03629681 32.2361496 36.42608342 38.19666426 40.15189893 36.21406865 43.01637796 27.22627925 19.66342114 49.58456269 47.02812147 28.36311728 38.80972911 29.30503388 27.10189648 32.85200351 47.65328058 27.65263317 47.08982777 34.27422686 30.81158327 51.57043334 27.33185408 47.46012443 30.37003932 38.5279382 61.12277251 51.83603173 45.83636333 23.20590992 38.9765896 31.38265858 48.91661634 44.60470295 39.24918946 45.65842355 32.31716829 33.05362794 48.13976902 28.05475257 37.42108949 48.65383907 39.05218158 59.28600011 49.76342427 30.62704472 51.7359908 38.6874981 40.18975748 47.73549952 45.51718801 29.82297965 93.73542461 53.62143599 29.83821416 27.62876321 56.76234649 26.36262809 32.79954944 37.22545914 38.35176484 20.26619438 34.28092094 23.93649002 20.37192618 51.55896486 42.92584538 49.99236354 42.20404418 37.10271961 32.92451815 37.89160923 32.27797944 29.27104135 47.05668642 26.65524295 43.31910872 Aspartic acid 13.04051633 4.865690318 13.80506339 7.396836874 7.161939684 5.854412454 6.996578659 8.147961632 11.20754142 7.396719436 11.68631438 7.961953218 9.504869444 4.968388609 12.83673247 4.669380881 15.90162998 14.10482623 10.438479 14.9022636 10.40722253 2.949427119 6.561447222 6.172574005 12.65081499 17.30316716 10.3892696 10.74033676 18.50262756 8.43566065 10.96725493 3.32455605 2.938158298 0.689552517 2.301732241 2.083869136 2.289335796 2.363897041 5.959044597 2.340377565 3.259620583 1.48677228 0.630339816 3.741207709 4.355809674 0.766139072 1.969771529 0.755047624 4.560164899 1.40458406 0.949124284 4.432687019 2.776604129 2.102857733 2.125762868 1.565207859 3.493096589 2.835498195 3.529638145 3.626485483 3.208725407 6.831966261 2.104145688 1.171937197 2.515213802 0.546602104 3.101873025 3.316995975 0.960315397 2.218464092 3.171784781 2.011071507 1.779003133 2.80313989 3.281744361 2.933671667 0.894003723 1.23157541 1.932799863 2.330483926 3.878884343 2.966610596 2.399035722 1.962013456 1.100000557 1.145007522 1.964323888 1.62005907 4.138950824 1.651775287 3.093864719 3.523930385 3.79297948 2.345779184 2.620330072 3.650277883 2.178055508 0.877783805 1.665583905 2.821169148 3.805409279 1.373835385 1.487127259 3.406130408 4.441411469 3.326905942 2.49574274 6.050659256 1.396740814 1.137724015 1.864365376 2.844680128 2.55169003 3.734488192 2.350820906 2.990276245 2.537913934 1.13123444 1.969937781 4.383717349 1.170902428 2.53811632 3.079312829 1.216492754 1.627808716 2.255895359 0.749562077 3.318856334 0.901298751 2.327979115 2.650328637 2.243671133 1.796579109 1.070695167 Methionine sulfoxide 3.167832588 3.477034577 2.925188632 3.575519821 3.388637149 2.296431372 3.262952533 4.269323167 4.578990521 1.376878133 2.500416185 1.560466593 0.446360302 1.358739417 3.408448759 0.27730872 0.714871819 3.382197134 1.938253874 2.685880145 1.640070664 1.177953454 1.995451033 1.82625138 3.149250939 2.049278592 3.652967308 2.782758987 4.672458339 2.071301364 2.416570499 0.443200743 0.018411991 0.125913135 0.158490907 0 0.26013013 0.008696821 0.341757719 0.018135565 0.122369308 0.021463659 0.008494703 0.25934025 0.09485235 0 0.347292475 0.028677263 0.009887855 0.310063185 0 0.338373171 0.059241393 0.051998325 0.018951396 0.038467586 0.068853205 0.024771372 0.048040905 0.065371609 0.319154241 0.113474584 0.115323443 0.337997113 0.010677706 0 0.010222225 0.109401467 0.045795475 0.371643234 0 0 0.030281417 0.022715952 0.073786221 0.32980222 0.041988795 0.010554501 0.085779465 0.642420017 0.562972767 0.605998698 0.223522993 0.071191628 0.18602093 0.04120964 0 0.021421805 1.24181196 0.044966295 0.109951774 0.36105021 0.154047758 0.659726659 0.016963242 0.046455928 0.430108517 0.252520467 0.103451291 0.067010838 0.06172356 0.183890425 0.066287823 0.024779751 0.44073842 0.042884677 0.067474539 0.117788255 0.060336046 0.069411574 0.160169045 0.354761221 0.046624575 0.723081957 0 0.106158752 0.578367274 0.008470075 0 0.073095272 0 0.287214673 0.563421848 0.58854748 0.053408278 0.011528425 0.151285052 0.314205112 0.037320675 0.028824145 0.175298273 0.064525116 0.057603683 0.85560209 Glycine 1.553999677 1.044822416 1.836976276 1.066143656 0.952807433 1.231727057 1.108473798 1.405757665 1.351923514 1.124230637 1.209440001 1.075594921 2.354362443 1.335006833 1.743234841 1.313175351 1.966726958 1.636664122 1.173632933 1.500204129 1.085284479 0.538282538 1.08027114 0.923284973 1.146802983 0.890887149 1.257066604 1.136219695 1.052634398 1.248168066 0.828310743 1.462927377 0.372011983 0.725093884 0.701332566 1.079404358 0.607631579 0.301472941 0.661275967 0.356230168 0.750309297 1.031823657 0.709180705 0.991665751 0.942129417 0.379139869 1.16545368 0.610386007 0.429183555 0.637809415 0.901083802 0.990851786 0.747020495 0.460220838 0.612476346 0.830130163 0.612466576 0.564538188 0.695576472 0.63963714 0.930663939 1.006520443 0.945694185 0.918796018 0.616448193 0.383174492 0.95116743 0.948004473 0.39265097 0.490182402 0.278387882 0.281053688 0.392965361 0.715701323 0.415025357 0.664049587 0.545277023 0.611577943 0.658559666 0.639941081 0.858813385 0.577706427 0.880080737 1.424955196 1.397241012 0.817830629 0.333555626 0.656003372 0.42731684 0.495046542 0.760313594 0.970124534 0.605647471 0.393770346 0.56341666 0.857769994 0.494694175 0.843490466 0.601928663 0.915824177 1.359180115 0.977202808 0.552102766 0.828028231 0.937983718 0.77599492 0.729082314 1.102604737 0.510899437 0.439400716 1.253979565 0.709130548 0.458440451 0.942911438 0.218796867 0.377352783 0.473033342 0.419604164 0.192159374 0.625696957 0.259506914 0.234617111 1.044326809 0.711572234 0.700355101 0.568354599 0.429278358 0.614858931 0.530866334 0.530386199 0.654711859 0.776539369 0.526724307 0.896354956 Methylmalonic acid 10.63828786 17.71633576 8.018654575 23.22350438 13.39208786 6.378843512 8.888290134 16.14469929 14.58110512 5.640387391 6.675686225 5.343339648 55.53427178 10.98089631 2.744833271 8.259008666 24.64817872 8.984185307 6.801013023 8.247100293 26.38377898 13.24931564 7.730935036 11.13769368 12.51694408 6.719080219 28.75948835 11.13689346 9.421303415 6.639088177 8.991839891 2.749061379 2.276184242 0.99694266 2.001325861 2.653079834 1.787411465 2.254959221 3.691183093 1.976421568 2.246036389 1.562872355 2.57842401 2.110799856 3.176457131 2.121826658 1.804784172 1.738768169 2.480995373 2.16297389 1.37569621 2.538945977 2.208173788 2.035619533 2.280071467 3.414016563 3.138636603 2.189773405 1.427720217 2.481472969 2.47272295 2.963223478 1.53856425 2.302151027 1.66402847 2.003980047 2.322942923 2.643290851 1.438306233 1.649492371 2.391185176 2.552292909 1.41842566 2.41264157 1.636753062 2.720736132 1.791526908 2.104802122 1.841385422 1.835329805 2.679010866 2.06414295 1.859258081 1.847786487 2.598268967 1.579518685 0.928763974 1.331163715 3.171252155 1.121231502 3.090139441 2.511705838 2.996964997 3.178317628 1.782898077 2.318224742 2.197306236 2.035340665 1.951966739 1.136833787 2.153465073 2.639112584 2.303568473 2.307791061 2.070460968 2.006792866 2.024313384 3.45812323 1.341317161 2.116225486 1.741807111 2.146287514 1.349050494 2.279139495 1.468007077 2.110485419 2.544891729 2.448978901 1.760153699 3.31317551 2.413675452 1.940002652 1.136851341 2.389995288 1.156970574 1.1384987 3.262159462 2.304955111 2.088522224 2.531322179 1.734493479 1.753729312 1.617049177 2.11787415 Taurine 3.200920248 19.53008962 24.90866255 2.933347579 20.58843803 4.51581036 17.97137837 22.07183588 15.86712595 5.281290489 4.76957549 4.70507024 2.219768373 9.77292207 5.607421011 6.785141616 1.668662363 3.709525072 4.813584434 5.76004229 4.372248968 3.197725168 5.249946072 4.864613544 6.393106968 4.789346584 26.69396418 4.25054135 4.445231144 12.59029116 4.301791831 22.57255109 18.10685895 13.20423242 16.13662714 21.8459514 12.95238495 17.0643715 33.06321814 14.70741276 25.50904576 20.22676862 9.272988413 18.33904541 31.37356518 10.21394695 22.36995141 9.905889585 18.0425228 18.32909471 10.13760801 31.62074103 17.69044371 17.75023566 17.3085153 24.09410051 19.46935124 19.15764869 18.10048269 21.82686994 31.40526572 34.42475103 26.26630231 11.870457 19.53521627 9.188530687 29.07454679 21.63539521 16.3313968 14.29287182 24.9860237 19.19623532 18.54763169 13.54435046 16.3776941 30.82678122 7.441176019 14.97692846 18.87731424 16.2728074 22.65306585 19.25151286 18.77364719 24.91548246 22.63098447 13.55593498 8.033187684 16.11499086 31.1649082 19.01408994 17.72448498 25.19530747 18.81895853 12.80913633 17.98686124 17.72330682 19.74442859 12.50308438 16.89321748 22.6374429 40.30503092 25.55327549 13.42037878 28.33137532 30.36656663 29.31484504 22.39240383 27.02600589 15.17575364 7.780911335 96.51881634 29.16809733 16.68400222 28.9038709 15.51278525 27.10338497 19.35146221 18.51475153 15.09593473 25.3851626 8.195182152 21.51198823 23.45616292 13.73071946 17.69560169 23.08291618 17.16287854 21.19360082 18.93917169 11.1838212 20.30802338 16.22899431 15.27784507 13.97409798 Se-Methylselenocysteine 1.420379958 4.761709696 5.514954459 1.09486256 4.416503891 1.865740868 4.137456317 5.003994332 3.797533831 1.842498269 1.619260998 1.90707015 1.788497697 2.931785676 2.034710895 2.279819692 1.379283678 1.646322414 1.777724235 2.048267154 1.48175571 1.282359224 1.759133884 1.830324463 1.927908885 1.619033779 6.141916494 1.596113727 1.601309774 3.349339439 1.519225445 4.903655094 3.427002432 3.525958225 4.099520768 5.045056052 3.308760932 3.927512497 7.445785886 3.493217502 5.342585258 3.795547991 2.402692468 4.316802315 7.105550041 2.241708964 5.247805648 2.540964269 4.251850538 4.37694768 2.664502432 7.001972711 4.370913691 3.987484472 3.973525963 5.026777647 4.667401735 4.328888041 4.046943917 4.993601456 6.309968191 6.790596014 5.663618005 3.24293836 4.749510495 2.027699794 6.225688836 5.288535775 3.721191293 3.435097603 5.342611322 3.646923836 4.029102722 3.295681026 4.013719179 6.807568768 2.053428782 3.723684174 3.907879086 3.784047356 4.979679656 4.547053847 4.310975666 5.265354488 5.536278067 3.635410322 1.990737656 3.300075572 6.955696576 4.227022763 4.201507672 5.076378216 4.578348136 3.426055342 4.007130599 3.941292503 4.410341208 2.846084813 4.19357974 4.912904405 8.201554596 5.817705422 3.167099097 6.545531291 6.229008517 6.377143564 5.251043965 6.000845493 2.887270257 2.401689896 17.04326401 5.989039367 4.242843038 7.043576182 3.443376671 5.719253699 4.481779913 3.857521053 3.235321766 5.333176972 2.165721128 4.616147984 5.55629001 3.729260357 3.439691692 5.414274501 4.219788139 4.827811585 4.208121182 2.487732639 4.801062365 3.91475166 3.722243504 3.135085042 Glutathione 0.842172012 0.585455036 1.170754586 0.891328189 1.055647916 1.214213402 0.775771446 0.693200784 0.811478541 1.129722517 1.177506276 0.676063917 0.774478873 0.71355009 0.820208271 0.775049666 0.955532704 1.105502842 1.340795303 1.135862308 1.188369671 1.07473025 1.119667246 0.7774949 0.96053132 0.839267532 0.548556441 1.201045779 0.738934307 0.857424296 1.05107143 1.080201337 0.555552569 0.485415908 0.74428624 0.758551325 0.728015583 0.790706127 0.407450163 0.626045348 0.79182937 0.622788611 0.395843993 0.533615914 0.565687055 0.94357724 0.656782736 0.49417346 0.660030967 0.474399621 0.590191584 0.651161432 0.473377195 0.679307815 0.499737815 0.513525801 0.857623719 0.773176213 0.598503716 0.881852153 0.529352387 0.524372982 1.002475819 0.481827614 0.542055339 0.455438723 0.781192026 0.541374076 0.919597492 0.624818581 0.739368188 0.714110152 0.804946757 0.810753106 0.395445092 0.645708581 0.77197029 0.601263553 0.557576869 0.563208026 0.544485534 0.482101226 0.785259201 0.568931699 0.861860743 0.661973397 0.881807798 0.216306205 0.553056939 0.880201607 0.600336 0.84555207 0.526781219 0.746703874 0.826421303 0.978162494 0.560151623 0.711063271 0.575645099 0.590328694 1.291747423 0.635504876 0.595941952 0.945659271 0.867602197 0.633748056 0.6511117 0.974446949 0.539766793 0.494711749 1.179478126 0.546632053 0.752438459 0.627040075 0.698422402 0.458722052 0.901662035 0.685620102 0.702749814 0.341736657 0.404330986 0.684001767 0.955494507 0.387228784 0.320655425 0.75710711 0.788838911 0.636692485 0.672413314 0.740303292 0.748546509 0.926708418 0.54183658 0.465699443 Homoserine 9.695413009 5.451778304 10.89479974 6.863897243 5.637419869 8.105794873 6.663755911 7.262722457 7.341549531 6.30385447 6.582052247 5.203814389 10.94691515 5.583321083 9.614363916 10.79037382 10.10476896 11.09290353 8.389481939 9.132293703 8.164799599 2.820018993 7.777825484 6.1386792 7.960048922 6.040298715 8.659070712 7.813667922 6.359034658 7.156001625 5.983669247 10.40232581 2.519574514 4.979516234 4.056872807 7.459649315 5.873989315 3.726400372 3.629469969 2.957687531 6.347397659 6.184053043 6.425063457 5.494649818 5.126847736 2.303777839 6.016119881 5.561675151 3.994593588 5.703138395 5.494432737 7.032232156 4.818242215 4.27487597 4.659799071 5.890814605 4.328882737 4.446789238 4.088290014 3.482972472 5.613071209 6.254825674 4.578279379 4.787660273 4.521948475 1.755492976 6.140523946 7.539296155 5.130230688 4.563663058 2.303242276 1.427094926 2.683167373 5.884893407 4.50330221 5.465048273 5.556984168 3.928789742 4.824238594 4.238186686 4.577229255 5.361639923 5.777187766 9.417964754 8.552689796 5.197704299 2.799510562 4.775558749 2.889983666 4.635795323 5.31296106 6.590317449 5.569608242 2.657208445 3.785902148 6.322857284 3.332942635 5.533361252 3.547118037 5.164091955 12.53054037 6.091592927 2.867435927 5.899617497 6.555598019 5.997837175 5.519066276 7.832100735 3.892705265 2.017246306 10.53864612 6.600087192 4.74848904 8.305159907 3.710918127 3.045912276 4.235131015 2.437214071 1.284974344 4.086618606 1.415590773 1.866901527 7.72039232 3.85839349 4.657966562 7.93875861 3.617911747 4.740294003 6.495665601 3.801889274 4.596786542 8.481061087 3.427852815 7.220001089 -Ketoglutaric acid 0.179697513 0.194114936 0.158215016 0.149819576 0.140402729 0.173917776 0.155812115 0.190943881 0.118268603 0.281510059 0.157122876 0.192045741 0.394674862 0.252083188 0.236356032 16.63594951 0.091107383 0.154548536 0.173249677 0.192741908 0.204529985 0.238437517 0.268217395 0.18296852 0.17593059 0.165146882 0.143209534 0.19821737 0.191670403 0.202192668 0.211079468 3.477326946 4.734522622 2.602816705 2.920029811 5.151172987 2.48188233 5.263181338 4.380278201 5.891346497 3.262738962 2.355740215 5.246772605 2.140513863 5.090732017 2.885864421 2.159163991 4.099031652 3.879380189 4.450925397 3.502647406 2.91926015 6.445717274 7.272370971 2.633128982 3.994001683 5.183140807 3.721607696 5.082408579 3.877788105 2.201923545 3.076259742 3.683515324 4.284305418 3.829681742 3.539722472 3.813498871 4.069989331 3.874378376 3.295531103 4.504113863 7.298720788 5.41657241 4.255327767 3.127672455 3.533639444 4.268375127 5.034213532 5.700681514 2.434224088 1.953789593 3.503172633 3.155628718 2.853245397 5.533609272 3.281133979 5.366936429 3.682228955 4.384232413 4.783917947 3.570569571 2.967334747 4.541410032 2.960931371 3.732069882 5.990534624 2.853664894 3.967159184 4.996726159 2.053947814 8.684922728 4.604575779 4.289188241 9.777630657 3.210740924 3.771563424 3.787538288 5.705116343 3.896578121 4.977606375 7.143593965 3.540625118 4.108775309 3.205110972 3.809366474 2.848766595 4.338199396 5.238905892 3.834555184 8.097697883 3.630381923 4.048671276 9.313408126 3.264453819 4.096930399 5.800959247 3.306279691 3.858512903 3.605325387 3.830468828 3.871589959 3.453619557 3.524487846 2.600010281 2-Aminobutyric acid 6.693573058 6.270411394 6.869670406 6.758860366 5.624672313 7.299419123 5.488832252 6.190425286 7.222947729 6.700167631 11.06655183 6.346450528 12.66926885 8.122994849 6.027468879 13.10570798 8.163389256 7.507465015 8.219317183 9.860761398 7.563458975 5.063808426 6.770910395 10.52957973 13.54599103 9.157281577 10.93257896 11.09240713 10.17345987 5.177222207 10.397788 1.04615806 0.183638852 1.472554679 0.380605113 1.757125136 0.412995799 0.791110614 1.494230192 2.34273836 1.411141854 0.042383091 0.385540377 1.678306436 1.83402214 0.106204399 0.7767129 0.067590819 1.455773554 0.120266248 0.268664543 2.027209414 0.914272519 1.323114421 0.475452389 0.160469283 1.130182568 0.519603064 2.312302011 1.696157361 1.301756861 2.463530689 1.038444515 0.159426051 0.090283884 0 1.003525042 1.221484365 0.049415736 0.896234122 1.060748039 0.565018106 1.122148144 0.143216827 0.927114485 1.209496868 0.955125613 1.841678582 0.898522764 0.101281855 1.398708493 1.185046153 0.683551546 0.78931387 0.870970727 0.878995513 0.041887527 0.130296005 1.727444162 0.957360432 0.748651165 0.299251575 1.049296295 0.544578378 0.609120252 1.318653179 1.227468924 0.461942905 0.286004964 1.262258225 1.950818313 0.966042657 0.113484872 1.447843813 1.752383748 1.668455665 0.229691014 1.929025811 0.102587447 2.457852064 0.383323523 0.651477553 2.104881018 1.649813697 0.030058338 0.68002954 1.123886881 1.238287099 0.226354035 2.42455191 0.050944542 1.436820599 0.763599352 0.217795118 0.260832045 1.745990512 0.073471803 1.000860597 0.351435105 0.638208877 1.087868318 0.304624245 0.843749907 0.094835499 Arginine 7.108730296 4.153136089 4.860696013 5.659633338 3.474433406 4.226551971 3.647744969 2.776005565 3.883360099 3.915862877 5.539153575 5.371510459 4.835307627 3.141021378 5.196619312 3.893904444 4.426920959 7.193055615 5.468908867 6.837987999 3.931410576 3.201994047 5.039738336 3.749374743 7.115006859 4.009788142 2.411824543 5.347621493 5.626027999 2.662979317 5.481402438 2.311471166 1.277600711 1.268712869 1.22469253 1.272747945 1.601948453 1.405638592 1.468023858 1.105691422 1.278887263 1.111430548 1.176704926 1.047791064 1.458030312 1.013855725 1.114699902 1.278676829 1.054270405 1.842278658 1.514809838 0.903427686 1.299039753 1.033823794 1.14578662 1.126585089 1.033531992 1.12493588 1.119949935 1.39207948 0.95385781 1.345188399 1.581690771 1.095012789 0.588643217 0.751102068 1.167191359 1.491910372 1.286250206 1.160349949 0.85481089 0.907063627 1.060279024 1.536751982 0.977324206 1.208751559 2.552200404 1.21884299 1.638832756 1.309957536 1.172463956 1.081465526 1.607905983 1.065493281 2.314777001 1.836713654 1.052297202 1.463271148 1.232545885 1.210478187 1.800281579 1.360420814 1.636334633 1.402482125 0.696041762 1.35311141 1.094465564 0.991360269 2.003567095 0.999102534 1.346335683 1.424155208 1.07648848 1.331034406 1.383660897 1.22715684 1.007722162 1.313548025 0.872396081 1.379501381 1.61408867 1.133115818 0.831893599 1.49996949 0.908968758 0.97528134 1.243341606 0.697827682 0.676631795 1.25988996 1.09265394 1.009075893 1.697641108 1.473342922 1.537038515 1.223761669 0.878209995 1.116142724 1.101080183 1.125671681 1.630330306 1.142398001 1.175017053 1.641010197 L-beta-aspartyl-L-phenylalanine 0.293328038 0.605113957 0.728002636 0.325829418 0.377981309 0.061502939 0.172319014 0.184819551 0.524187418 0.124268305 0.38386224 0.054955783 0.249400985 0.087644216 0.141877805 0.110426909 0.095282835 0.223891469 0.070262089 0.027957365 0.131363761 0.256001 0.118728119 0.130895829 0.427140136 0.319428271 0.240676229 0.127006855 0.387809417 0.093512826 0.522335672 2.932413884 2.895183396 0.350031169 1.336988796 2.406707591 1.814968179 3.169739762 6.013997279 1.777137543 2.741371887 2.23824169 0.445314231 2.332184595 5.088363463 0.586036614 3.02943021 1.731413121 3.826095808 2.188603559 1.23267656 4.257948714 2.500417187 2.766778443 2.079501711 2.204463197 4.622295625 3.428490419 5.585721994 5.021548418 6.592250583 9.945623337 1.44602004 1.575234987 1.782913256 0.567509482 3.760656642 2.324534498 1.685125203 6.335377192 3.613858439 3.477230733 2.871288039 1.594327899 2.873262405 3.840304136 0.64827034 2.235070726 4.52102854 3.582608066 1.931450888 3.704904887 1.846097279 3.906523336 0.645803794 4.048673161 0.574885972 3.592166549 4.801413051 2.882769484 3.696496632 2.769150216 3.162234219 1.870758354 3.668660941 2.92996038 2.591987241 0.87712269 2.823828671 3.730232478 5.570473125 1.856272197 3.69665363 4.407082232 5.511124922 3.392463898 1.227617456 5.25445934 2.383472221 0.566596825 1.592399565 2.647919188 3.824890037 4.381823327 2.158080825 1.630763703 4.41686035 1.401255253 1.751280967 6.147108469 3.646651861 3.045377839 2.717411625 1.464113486 3.692973405 1.405104831 1.191786414 3.493765823 2.093997158 3.74387068 2.363970136 2.148819153 2.945900054 1.229877696 4-methyl-2-oxovaleric acid 10.70253758 23.06610239 50.94556488 25.13048448 20.57289326 29.14310542 22.50444413 19.51258968 16.68533753 36.50397674 39.63070166 42.70423367 54.72981019 54.46826395 22.92417151 42.47225692 22.49440098 10.04875698 34.23596049 25.59681883 41.77127023 76.40297926 73.7929123 48.15321185 26.93644283 12.7703864 19.42078027 23.35751198 1.28037984 28.12191536 47.76249757 118.4955621 81.83196353 65.03525075 69.20477472 82.51805443 105.7873657 98.25588055 130.6014289 99.49377927 121.0871263 70.33823406 73.2220759 82.08012132 73.43443934 108.3878522 105.213977 88.95000012 80.70632572 105.1283512 88.77065468 70.34427321 136.0389106 108.9838526 74.64210975 87.50061622 85.910092 110.025864 80.42695794 75.95166257 70.51563829 61.40102644 75.59644958 57.31410019 93.41847541 57.86393145 80.173268 55.62842052 110.4877033 63.10253559 84.45466027 75.6860116 75.84811435 77.13842931 67.05382637 109.6637074 70.13858637 98.12856385 122.8887869 106.0017536 64.10333657 85.95955728 120.5027603 78.8240099 102.0903575 74.68530368 53.88044298 111.4847913 86.06750253 96.2229834 80.30667602 157.8478938 85.35046991 99.06912133 67.67954439 150.2300529 71.55037626 114.7572241 139.0226287 35.30444705 83.98393764 96.28233993 50.0023158 75.90284021 99.04091286 66.11224785 68.80972445 77.17101218 72.35075908 44.1319685 93.37376724 91.40109947 96.74023179 70.5086156 79.64669179 74.1864383 117.9344427 142.7756523 89.30183479 114.4072056 86.85228462 109.0392616 90.14705769 58.78786071 97.07495495 50.59550327 72.23102869 73.90717306 90.11092086 96.10917607 87.32182498 95.29310967 58.56737713 89.82217986 Mesaconic acid 1.90520622 6.115681957 2.120885076 2.79369385 2.242883617 1.814277407 1.75392561 1.550248041 1.897960533 2.852311829 2.923808141 4.000722841 7.302853406 2.647471195 2.409619874 0.944857424 7.1558454 1.607326671 2.652836967 2.758276453 3.157247567 3.325718309 3.568011819 2.314071076 3.003131854 1.436539216 2.452082804 0.935185202 2.845162146 1.136913762 2.450823852 45.04986099 55.71327902 39.39947301 60.4888741 60.26143215 44.15729804 36.61774705 58.97283115 47.95228658 22.53099953 16.48906995 30.98301989 34.32133663 57.22488415 48.83081161 50.63779426 26.13098473 38.63472889 66.0749535 49.69827936 39.57764271 49.20546426 45.63073044 25.28421614 60.92652408 32.25702858 26.28122636 33.46094734 23.6679423 32.90985999 18.69168422 49.41162845 69.32887958 27.12232696 36.72967649 42.64202062 46.80871758 74.02908923 56.03099399 33.1725067 38.48945457 31.23973847 19.82770063 29.25310925 66.66777799 33.33743291 22.6032917 43.29998015 42.99329835 59.63866283 54.5345034 32.14190153 43.44223424 43.78225096 49.77898714 21.99081714 69.19734513 93.98351728 16.63720852 42.12711654 48.81124803 53.33932892 71.5906344 35.90003162 4.03813822 34.1458846 42.91990994 54.22053506 38.88100959 26.37002403 57.23677448 65.69014407 31.19075282 41.13969414 44.78460278 32.261704 43.08225517 29.42362202 73.91849573 35.51166449 65.8639262 17.69160555 62.71094084 27.21453089 41.97413199 50.37120149 53.79159431 21.48598068 42.07373043 43.85351353 41.90750336 65.88122088 58.14257014 32.10704203 44.68092703 43.01258123 37.93049882 48.20020086 29.73132966 49.97336446 51.41245576 13.13674665 67.55755039 Methylacetoacetic acid 0.966098924 1.174748854 1.478867937 0.972862923 0.979604839 1.509521248 1.049553324 0.84591384 0.793682356 2.173792665 1.908574113 2.546199365 7.11586561 7.70948494 1.969266593 18.08554196 1.485520794 1.887712474 2.076338529 2.280531388 3.235249846 4.666268749 4.583132419 1.829101958 1.349361452 4.259594938 1.080308263 1.53439272 1.124710051 3.711063611 1.536192211 30.72151244 35.86373598 23.30622935 21.19286692 33.97559845 27.51949307 31.61474679 22.58869028 35.96199765 36.04327545 24.77679176 26.53152224 23.23176943 30.53773607 29.51031956 32.07017701 27.44616081 32.55448797 34.05152863 24.33439138 22.89665152 39.93417986 37.65542146 21.84330179 29.16533008 34.82807058 31.51653991 34.74788012 32.36221502 21.01182941 22.53198358 23.91954599 27.2601225 36.48177825 19.75813216 34.40949182 22.33066928 27.94159103 25.07924822 28.48737508 33.98789443 30.28565345 28.78737872 24.79476246 32.528198 22.33461931 39.64178073 46.97168984 23.7494478 21.36212422 28.09219806 34.27423275 27.25499478 34.15082351 27.88702392 21.19453929 37.54221279 31.5288539 33.90575247 31.22646315 34.94654667 28.90397692 32.93183808 28.3638388 42.62378181 23.75826659 35.70014572 54.09279378 11.87101364 30.60650097 34.96165871 26.36060214 32.60234116 23.69868741 26.46467399 27.75084488 26.3314016 22.40148679 20.12534401 26.78230661 34.60867738 33.06922426 29.95612933 29.94967299 23.45014883 31.93022668 50.80690229 40.39151231 38.32731753 31.42845291 49.10326335 22.77427888 22.14316859 31.30420468 22.14226138 36.05764973 31.06443148 42.30982517 35.92907584 26.19602615 40.10761274 24.49342579 22.94128769 3-Pyridinebutanoic acid 189.0086111 175.5517025 185.0543117 169.0113974 136.9469662 126.4289371 123.6205312 121.2744159 145.3398606 130.7849437 164.6478827 145.9871355 150.6948683 146.3347413 139.7140306 113.3720826 133.7282055 193.6954049 180.2347214 194.2617659 182.8889178 153.535128 161.962653 115.5616129 153.261761 152.0202743 107.9692734 137.8751664 133.8003969 113.2175684 172.0850955 101.4865393 68.24313296 45.6825037 62.93126086 61.83752446 62.05811528 70.06119551 67.26448614 53.48043166 71.46307592 53.77849166 44.51349267 51.98185915 71.37959479 57.63965775 53.76616891 79.40219183 70.15471659 56.97661315 53.81722872 71.29379547 71.00347418 72.54710851 50.68171949 56.24924338 62.28819043 67.87219761 61.89956091 68.93848845 56.72302616 84.41630276 70.30779885 50.64182984 45.22358902 38.47590057 68.95653483 52.9512526 95.64408417 70.47220056 67.62271846 65.19920684 49.29463911 56.5047693 60.12896983 70.86118568 67.565933 63.1311121 78.68084955 61.78284153 54.97006269 58.998591 68.56757203 59.68295038 66.94819116 57.86591364 55.52425175 81.17216976 73.14900791 68.85820957 61.2276327 93.84309345 64.08781952 71.64797995 61.35658065 74.51281067 56.3417753 56.88164624 62.74729494 58.43870091 68.72460552 64.84024677 64.96097309 81.36163763 81.17001637 66.25822781 55.57162333 82.92367112 60.68350239 31.61065547 66.8011535 58.80651578 69.76708414 90.55530274 63.40841301 47.85474629 74.54792929 48.92891334 43.83683213 80.36829127 64.91327503 56.42809567 87.79324041 41.70986939 61.80542549 52.87501852 43.05360322 60.89962808 52.92720487 66.27425251 78.94296776 52.77296748 50.81822885 64.95818068 Mevalonolactone 2.774984688 8.907050014 35.67873911 8.440645763 4.83131056 18.114578 9.980183964 3.864697619 3.776633814 36.16992981 26.82662387 40.03673365 75.75894702 110.2029985 9.843287024 116.5275776 14.62635517 2.178963832 25.64905337 12.51065706 27.5188668 99.25801459 85.86472408 45.25644462 11.43072176 2.629893517 3.930517442 9.586769217 2.172981619 12.0711563 28.24627254 209.5593199 180.7838737 123.7904524 125.5709612 192.6106018 192.0323227 200.410778 174.5117726 182.6391184 242.8523431 135.2074538 134.6316919 162.4355676 118.883822 224.6082062 193.591383 137.502831 175.6035828 187.505413 151.2859674 140.7375202 270.0097234 213.5927894 144.501058 166.4194742 141.0342012 235.9071764 172.3842071 148.725111 150.6205323 104.325269 150.3702392 116.0815629 184.4839144 113.196785 188.6448919 85.92145676 206.0294759 124.0639815 152.7835446 132.9191913 158.5815579 169.33072 145.0070686 212.8161061 138.7725113 169.3687342 288.4721186 233.4508304 123.9836157 165.7063481 229.563911 167.9657866 180.8731883 118.2653036 110.0015177 198.9148126 171.6212793 211.9770898 195.4826903 304.3519595 172.5326218 195.5294862 156.5525691 238.6271208 141.7515875 216.2620808 275.2883553 72.51234083 154.7533304 177.8192501 100.1326867 160.9528382 181.6004255 138.7518796 147.8907538 111.893949 133.9695785 74.40499312 223.9307923 194.3254879 159.3235257 165.8470279 165.3266483 155.1048583 236.0185827 283.7275599 175.0350031 238.2352958 166.9401605 244.6363547 204.990402 108.4071321 220.5728974 92.47449173 151.1814065 134.6500992 183.1865996 179.9894757 134.8588161 193.2445889 103.2913071 168.1406912 Biflorin 2.8882785 2.152514946 1.95834631 2.531316346 1.929255954 0.962523652 0.862629388 0 1.014706885 1.233089196 2.127379421 1.203743331 1.762663466 1.027729883 0.903853816 1.187462393 1.503446115 2.831973944 2.562747932 1.608200001 1.933767966 1.096878328 1.437484259 1.313283354 2.629411598 3.419103702 0.489369203 1.741850506 0.39369458 1.162995325 2.746897087 0 0.007416054 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.026368386 0 0 0 0 0 0 0 0.030556741 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.007344318 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.624588413 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1-Methylxanthine 15.08417847 36.67964649 17.25513428 11.21995078 15.4709624 9.130865104 15.08280071 13.20084549 15.7428798 10.66720722 13.3978481 12.5208478 4.542758979 9.271805771 15.83998399 22.21557843 2.002742052 16.07602021 13.05589398 12.79245724 12.48566072 8.797357166 8.04739118 15.23735412 20.01269451 30.32002037 18.91186263 11.53664969 25.838018 10.32919659 12.99060968 33.19521911 40.20203558 23.61752693 31.71377888 24.06284753 29.47905671 26.92510383 44.0441962 30.6282216 24.94673375 9.984358176 17.96655176 22.96328569 43.05458697 24.06833253 29.30058741 16.96409635 25.39350737 41.65851193 28.94161719 33.81558583 27.02233957 28.4867848 19.63558926 33.94726867 28.30012142 26.92809645 35.11819624 30.87192741 36.03117002 28.4822965 29.56307372 40.11013547 14.54999202 17.02756822 30.92505174 33.44952218 18.22902217 21.31628553 24.8921602 26.92697449 5.909374849 18.53780794 21.16188425 38.73816348 26.49433067 23.61687873 18.36593902 25.7625144 34.97756615 42.60972509 38.62038011 23.32494435 30.32709403 32.70358304 8.189128259 32.07845833 55.24722552 4.474936521 29.57708135 30.44307691 39.38988573 40.76094723 19.62325252 23.35307712 34.44616302 37.0319933 56.96805931 35.3796325 8.518770179 37.41487807 34.78135123 9.430908835 15.80549993 20.95416375 14.37062762 31.86376792 14.01199293 37.88595094 8.306072766 23.66134688 15.48381171 44.36443646 19.2416762 26.52994355 30.0052238 28.7798899 18.02680236 24.41054288 34.32874851 45.41398215 15.81132822 65.14228299 16.13549547 11.2063772 34.80250439 25.12168289 29.88034251 21.46006368 37.11857344 20.30453321 13.58396783 40.63838505 Dimethylbenzimidazole 4.472442227 5.063286591 4.332533465 4.994881131 4.784688976 2.08183498 4.097748666 5.303444618 10.03633298 2.004470918 3.359305654 3.237072753 2.344803975 2.178051842 2.942159456 1.292820163 1.805144904 3.811597751 2.579599342 2.650517928 2.751882405 2.828092764 2.108478258 1.961568122 3.087820931 4.093413461 5.502499639 2.854601754 16.72345661 2.50923731 3.963265071 1.146167075 1.033102671 0.400033052 0.957326416 1.037313859 0.605578551 1.062141564 1.645119361 0.631604481 1.252989723 0.586434556 1.203212549 0.554955793 1.565946434 0.503369384 1.014111748 1.341798854 1.016991402 1.327289194 0.97834182 1.225188226 1.073044659 1.068652074 0.664330853 1.23162312 1.380012375 0.814331311 1.400042306 1.250539629 0.940787997 1.030857146 0.961226912 1.084996069 0.832402958 0.428133424 0.796318657 1.341262679 0.870150069 0.478786118 0.883830254 0.669140434 0.494119267 0.875949915 0.415245759 0.978878259 1.12407592 1.310944709 0.969091529 0.848052005 0.768845714 0.823758977 1.116434814 0.59047356 1.651905259 1.115594493 0.221054669 1.305656643 1.264612965 0.701295578 1.465725523 1.308789787 1.151455659 0.877545467 0.998903468 1.592605283 1.062782892 1.105945293 1.548855749 0.7533724 1.427750541 1.333444766 0.931051268 1.033962697 0.387496634 1.040012325 0.697106996 1.206134218 0.304941121 1.100991083 0.832290849 0.68965897 1.162265406 1.45214161 0.954512719 0.557013691 0.822342098 1.310048631 0.318505513 0.49576224 1.050363647 0.994864506 1.132071321 1.270561945 1.092010374 1.178224497 1.229209022 0.407060501 1.164977796 0.894597215 1.043997102 1.013043723 0.4987907 0.914405522 Sertraline 0.474232247 2.45063204 3.087308702 0.356053283 2.39258289 0.307295641 2.359763925 2.430384041 1.896033507 0.405167417 0.438231304 0.434897909 0.014930178 0.600467556 0.37292684 0.438359874 0.026993609 0.32327816 0.323071206 0.435454779 0.463851916 0.220554956 0.378196777 0.342537964 0.582859837 0.392786774 2.546142577 0.274812983 0.703870043 1.276315312 0.355262135 2.931071239 1.859481414 1.341015556 1.715628482 2.451858152 1.613240923 2.129845169 3.679129209 1.82485539 3.089125052 1.881997132 0.878935659 2.011502311 3.697635777 0.927369374 2.177240556 0.910635534 2.14581498 1.852556362 0.882736158 3.22860754 2.066861052 2.274382364 1.992067352 3.017616951 2.130687669 2.375647587 2.147627272 2.780256268 3.202044729 3.860344431 2.940485409 0.895309929 1.977078383 0.483886192 3.326087666 2.48728581 1.708825671 1.515040255 2.99185867 1.936071988 1.854329465 1.787243807 1.734919518 3.304990038 0.599302326 1.868654982 2.167100601 1.633242372 2.359946571 2.373046965 2.453419873 2.617828535 2.568909869 1.624284915 0.674946091 1.426827498 3.453992678 1.72152842 1.98790695 2.994458078 2.270665735 1.315380682 2.229753147 2.189344029 2.543552798 1.157748142 2.212712121 2.506617988 4.297563084 2.737860365 1.175943641 2.756390646 3.134778595 2.875931321 2.280592029 2.967952604 1.26644697 0.630965444 9.126269275 3.433008444 1.800841893 3.179043398 1.523216794 2.933512412 2.032336094 2.33190083 1.80071855 2.862139193 0.719441372 2.63901732 2.62242563 1.742471098 1.848656534 2.541956224 2.387993104 2.374067635 2.542665893 1.346751266 2.101679006 1.638332521 1.682721002 1.503182753 phospholic choline 138.6786253 156.8816332 145.4812696 125.0900428 134.9568831 195.6591694 151.5992707 124.3722908 117.2480265 215.6126465 230.4364554 242.3471426 178.9130626 243.2574872 259.7157525 232.0740312 173.7712834 227.1887728 231.1232082 273.1464695 191.9614947 204.1052025 232.6865314 179.1766627 4.615208604 3.712949439 159.7198034 198.3799415 151.8912359 140.0584348 160.0084957 149.3019691 139.0032932 209.3928769 239.1990299 260.0825797 228.5961337 237.6208704 211.3213305 124.9844063 141.7285039 204.3378806 187.0920078 134.9653654 196.2798938 185.9696212 242.288752 165.21429 134.0107647 166.2051153 228.8382166 148.72702 143.5249579 145.5329688 119.78649 150.1874061 153.8040101 134.7710571 162.524871 165.3263125 126.7008153 143.617174 232.8835784 228.5280545 225.585631 162.588499 272.2519292 273.618064 241.1987216 223.659747 225.8353684 216.6187266 197.9926118 233.894849 159.2662308 5.090090976 180.2012617 172.61768 148.0886393 125.5832501 213.9446626 127.9903975 135.0862202 227.0414169 314.9713384 283.6507385 160.3578724 174.2556245 5.71644778 187.5529981 166.8710381 170.0222717 158.3751501 131.558498 194.5019857 178.2337082 138.119653 155.5791653 194.2968875 188.0268208 253.8837848 269.1987082 251.7874005 230.9386414 210.8773011 276.3095186 282.7275145 253.6937387 187.7073964 275.9261716 219.5576977 247.1868592 256.4849549 346.2833386 234.3721853 156.810396 165.7921487 4.729504008 3.486834679 128.6789522 164.5971499 162.9142827 238.0273635 175.1941214 144.7378969 262.0151205 171.2265817 132.8442129 163.9934364 142.4922444 247.3957844 258.6617667 205.8348382 159.8596355 5'-Phosphoribosyl-N-formylglycinamide 0.208070587 0.427448885 0.068061742 0.154724518 0.140204796 0.260271829 0.08867975 0.012837719 0.388325057 0.184062706 0.241858473 0.164433443 0.206878987 0.223145678 0.053183438 4.560387192 0.08412365 0.159922098 0.113215342 0.284176264 0.083119965 0.223819471 0.206181122 0.149987766 0.093745009 0.059720336 0.157069788 0.179849309 0.172923749 0.082308986 0.231329607 1.258197236 1.041582143 0.744594151 0.567510669 1.6269704 0.770700712 2.028272695 1.440790756 1.931819431 1.063553179 0.532308019 1.500940993 0.362364705 1.354168834 0.6240778 0.380583434 0.988809275 1.300668982 1.509505957 0.94785095 0.193638091 1.417014795 2.324268526 0.726674957 0.85259293 2.130225203 1.11271989 1.218799 1.315705125 0.27217946 0.507310471 0.811628387 0.817670932 0.731587175 0.763006096 0.79658439 1.184574628 0.957840361 1.002222923 1.046155526 1.687952778 1.267793418 1.305305714 0.764737989 0.533612481 1.438592838 1.662193096 2.072005756 0.618412553 0.120728574 0.93771787 0.644768888 0.130882268 1.281778275 0.985868574 1.86967816 0.690387181 0.976330201 1.133103146 1.246674939 0.560819729 1.3171535 0.839220543 0.865992141 1.673479595 0.588685539 1.10866118 0.999691526 0.268536436 1.378772868 1.19503783 0.936333766 2.357677502 0.855983065 0.533463856 1.11094293 1.92831844 1.004909284 1.571200887 1.665878231 0.980197714 1.133461749 0.360389409 1.540285309 0.671605188 1.214988519 1.785657179 1.043438331 2.789608716 0.716157358 1.070692193 1.613465471 1.096264744 0.946863732 1.280976287 1.304718213 0.924121332 1.217325076 1.212721697 0.939278275 0.93270171 1.136704691 0.571771287 5-Methyldeoxycytidine 0.623107481 0.525216905 1.264331447 0.597434178 0.888204926 0.368563862 0.853815882 0.567220467 1.170766498 0.49798885 1.349937345 0.236061356 0.23632484 0.611507051 0.255303607 0.534860886 0.363820809 0.462364682 0.776607248 0.653161632 0.780448142 0.478347485 0.247490718 0.183421445 1.640861587 0.811494547 0.553569141 2.251001366 1.312813092 0.34950793 1.49011726 10.7836517 4.049762158 17.42442085 10.21578197 1.417267779 5.657630813 5.367561139 2.43286706 0.605226914 2.577383758 1.984959328 7.70773059 1.698412508 11.62774914 0.127262944 1.160422806 3.557388065 17.62020007 0.582293571 0.354426686 1.651911804 4.96212315 1.37806248 8.8566779 1.250441537 5.513922852 16.40536859 0.467399406 1.109629648 0.854587013 0.318388525 2.66693493 0.46430677 0.44695415 2.183725843 4.182533498 16.8885895 12.4952961 0.68389355 0.128855705 5.696362871 0.46604903 2.708768414 0.603320178 9.05536952 10.79807358 0.753049092 0.201743875 2.865658021 5.289508298 3.454700414 10.33028045 2.106231156 3.99782577 2.176962998 2.894755547 5.24246131 3.768931137 1.249049847 19.80748997 1.814874569 12.28270676 0.408151096 4.32844701 28.77020125 1.647598677 1.163268646 4.392610333 0.702949939 1.605890131 0.321657969 6.285475139 0.768781861 0.788478623 1.567953966 0.793662249 10.358012 0.788556733 2.024801792 1.777797323 12.93716902 2.944274442 24.94625444 3.106757122 2.022840765 0.443836856 2.7088159 10.92504118 0.174592917 0.435688972 1.561493355 6.412888678 0.136266569 0.162860354 0.841743385 42.03450286 5.065439155 1.096848415 13.12600024 2.66909822 4.57846898 5.043848436 1.589231225 2,8-Dihydroxyadenine 2.216415627 5.599457632 3.300811943 1.47005187 2.719779586 1.599207489 2.530436995 2.586578853 2.570211677 1.432250852 1.544292043 2.141437828 0.953992157 1.494942604 2.012935365 1.517880062 1.188173895 1.983341083 1.714896972 1.663876376 2.298044928 1.180754008 1.76979689 1.658460889 2.534205661 3.293042803 3.904353298 1.11812163 2.726074905 1.754253075 1.622850843 4.013854026 3.853929993 2.565371754 3.48044668 2.91395586 3.865234875 3.942461954 5.481670638 3.270652928 4.582531011 1.727034331 2.487310881 2.59232654 5.289654625 2.289628484 3.092079184 2.181753953 3.163652066 4.374811751 2.922021936 5.575256782 3.255579173 3.297916452 2.754669359 3.779416367 3.659421099 3.136137198 4.168419365 4.858808984 4.768821301 4.847182209 4.526068016 3.436122909 2.098722624 2.014259834 3.94369211 3.892307754 3.001885362 2.5433616 3.7448516 4.300501198 0.799885622 2.625660615 3.25388651 5.370597703 2.242910275 3.720043442 2.428112138 2.906555446 3.568615324 4.495289717 4.704222036 2.916935521 4.93016925 3.620176495 1.284127702 3.219725774 6.118525878 0.699311431 3.676259868 3.847193238 4.632420933 3.141587645 2.917259134 4.009508955 3.96226173 3.305344263 5.609030097 3.752833318 0.877044275 4.614249676 3.539033514 0.886631147 2.139315868 2.59388794 2.160150277 3.755309368 1.877250018 2.564539366 1.089692112 3.278765786 2.287853732 5.950663269 3.028665314 4.431707355 3.546088334 3.240546603 2.675501851 3.330420553 3.610128234 6.297818488 1.596814199 6.220939825 1.899045012 1.440139555 4.15160059 3.473839825 3.426881962 2.261799062 4.196548991 2.529670503 1.800426795 3.313738199 Indole 2.784443036 3.898420776 4.131849997 3.27027811 3.09336479 1.806667761 2.771648612 2.600594661 2.901859955 2.153935312 2.479171171 2.49171173 2.596289329 2.963399775 1.617105641 2.540614038 1.690139418 2.192069316 2.294459993 1.472526455 1.910218062 2.912035518 3.069649249 1.978977478 3.080223444 2.142038356 2.075332192 1.620809048 2.842367537 2.735539286 3.215204246 4.009586609 2.19073973 1.495487105 1.745831849 2.348969998 2.385493802 2.562264861 2.915642853 2.063558543 2.99181184 1.484968562 1.880498858 2.203177199 3.59542886 1.945857669 2.321758984 3.146829731 2.600334249 3.1150146 1.647935666 2.69298667 2.950079305 3.335957845 2.189402718 2.809617898 2.020810016 3.044265058 2.341935542 2.425519224 2.52337745 2.630471347 1.084165589 1.639869578 1.908569513 1.019914233 2.02519636 1.522770667 2.524000038 1.946557694 1.705982011 1.636471266 1.245412334 1.737373577 1.70524171 2.658595098 2.190034047 2.841646232 2.61421272 2.66647567 1.57786884 2.491572191 3.564948275 1.725190951 1.597968862 2.017855747 1.033720071 2.749201652 2.726416457 1.719209949 2.487159909 4.364090977 2.231424979 2.997378138 1.522056551 3.186012026 2.288782921 3.287894286 3.083868271 1.049006206 1.628889897 2.116589915 1.873368437 2.22883236 2.209341175 1.512428518 1.854820212 1.878088429 1.28256329 1.61469069 1.831055132 2.236480004 1.495340372 2.350030273 1.992975191 2.038997964 2.697320034 1.592293584 1.662250521 2.229443754 2.521247019 1.749559923 2.854574368 2.064683368 2.209276715 1.487566955 1.391778814 2.270782342 1.914919773 2.744777553 2.591203442 1.811209144 1.612156239 2.55651294 3b,16a-Dihydroxyandrostenone sulfate 8.63210955 6.419943079 10.29132312 8.22176892 8.719158529 10.22759314 6.095457049 10.27346851 10.42123159 7.243086014 4.408531094 8.931086538 6.776232608 7.421900884 7.397435612 7.270703615 3.792466637 8.094281032 12.61208068 23.92923904 7.260716274 6.798592968 3.057312973 4.819582863 4.878415112 11.80661972 13.76604755 9.263730898 4.899458636 5.640979362 4.89081987 1.083440286 1.843674598 1.199657659 3.206834769 38.88945714 6.006584533 22.06516653 10.23259577 1.020332826 2.240109563 5.394346179 1.949973817 2.828648972 17.6974545 4.418816288 5.721651578 8.037500425 6.415023386 7.435008479 3.000662716 7.650444836 2.054824138 1.834565879 0 3.850328131 1.640367912 3.218569772 8.721488271 8.512054104 2.193998951 2.281266168 5.955481501 0.747036877 1.272887338 5.615188746 2.566188919 5.470910727 0.465909843 1.112896386 7.131896242 2.168398386 1.32833347 2.849416986 1.11513954 5.952211779 2.067146867 2.678051489 2.131051449 5.786001431 0.539516187 2.533767978 2.688750916 2.577684937 2.051222088 0.989111718 1.278398209 2.952935377 4.691389098 7.342233932 1.793224229 2.435204356 3.162056691 1.538216601 2.438942894 2.490398419 13.58253697 10.29396535 2.3061107 5.515482445 15.68316247 3.172205981 1.394353566 1.715026177 1.023530675 2.611936739 5.070028047 4.389000111 12.94233282 5.52326774 2.885420998 7.206354736 2.547612588 6.160828212 1.775320888 1.17110517 1.191345161 0.520499596 2.067106216 0.24090832 6.693022831 3.862019766 2.330617932 5.932193689 11.46549615 1.763026399 3.463555805 2.356753887 1.974794972 10.39927141 4.019791587 2.129447101 1.656413744 1.450543082 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate 8.443002504 16.04110612 24.79215518 24.3408255 21.36976282 14.05507044 23.00779194 8.591322229 17.04731015 9.152136519 14.24291366 36.18623957 12.32493275 8.88467612 16.42237547 6.190675324 8.952783669 10.45695286 13.11374837 11.50162189 5.436543889 9.528611151 6.249464482 10.38746766 9.660217464 9.775555012 7.389462219 8.722790515 9.091469589 7.632072695 22.43264024 14.66020943 7.373690359 7.281112715 10.18516982 7.474443612 7.967728197 7.029532168 12.55711872 8.021114159 8.10631069 7.952434851 9.512395847 6.648076791 10.27016683 4.847351437 10.39082229 12.02236178 10.48706392 11.92591067 12.18723611 12.76743366 8.574949021 6.818297583 6.978355762 10.00482607 8.872393224 7.833764522 7.970064445 11.30813875 8.051487683 10.3641974 6.368082942 8.321763398 7.049935284 7.791412673 7.759129319 9.242959329 8.731540767 9.747631264 6.294642714 7.823582189 4.080052286 5.578540591 6.16366889 11.23675252 11.47495811 6.586119392 7.088672624 7.752820281 6.767172756 7.445358375 6.715024027 8.7817499 11.57674117 11.64317162 4.683516819 8.676316232 8.557410499 6.94340642 14.03650324 13.56722856 13.91164845 8.383716868 5.65608023 9.010058471 10.53067222 10.06037759 18.31274436 7.466858793 8.288591853 8.760807135 10.35452249 8.192215594 5.435832751 7.609015068 7.720150422 10.69028839 4.800372895 10.12534531 6.170301641 9.571180474 6.917528098 7.415985817 7.36856771 9.578448505 9.128574843 7.507537349 5.164894749 8.590941305 8.675975792 10.2650308 6.580209218 8.593803438 5.536387886 8.023998853 10.46346894 7.956532486 7.082906913 8.939564727 8.491935425 9.209957465 4.853653972 10.0035694 L-Rhamnose 13.13314768 7.346395994 9.239621475 13.42309288 8.760411417 10.07443926 5.981209852 5.219117672 6.070574446 9.20544161 12.76135897 10.00085727 7.889549117 6.68815024 10.35020544 3.152073578 4.112355438 14.69738852 9.929165389 12.83342557 6.751263268 1.290742375 10.05453438 11.79028451 9.775571756 5.311294887 7.477469379 7.635115415 6.354183529 6.07087141 12.02360316 8.130257143 3.350752399 16.83247594 7.521851314 8.544132203 8.04283871 7.036657966 9.541628259 6.694126577 6.808564288 2.981339141 5.882911207 5.053517741 10.38108268 3.950059987 8.599671275 5.132213741 10.53621641 8.754246645 8.8833816 3.965696762 2.927559815 7.707816715 5.386097503 5.956264006 10.11608623 3.646924131 8.495452412 12.53297438 6.260770461 11.84706065 12.74412446 4.350264851 6.919793438 1.440464457 7.804594107 6.26212284 2.353371718 9.121622429 2.737492895 0.808552947 1.438847387 12.09782331 5.244626825 6.500165518 5.902401577 5.550653109 7.476326569 4.894825546 2.154472089 4.740022048 10.42398344 6.611540284 7.328849697 6.388646229 4.370504698 6.222806031 7.79641202 8.997219432 8.445738791 6.587524845 7.297015765 5.140209541 6.983077188 12.19815994 5.468491098 7.038810491 8.563363256 6.173729795 11.59590593 7.762320778 4.656438137 11.42459879 7.688151072 9.6053677 5.88974098 2.865065183 2.256236294 8.827727226 8.182108888 7.55831049 10.44614996 7.706999059 6.935581253 5.972488242 6.277782236 7.832323596 2.471110054 6.070553207 1.144289926 2.675083022 4.175723498 8.595318511 5.673805027 2.285746279 8.547091185 5.929357762 6.32976982 2.497375285 2.973111681 6.514969749 5.831840318 6.66140455 Citrulline 13.65376992 7.556134556 7.397466816 7.840666034 7.698895039 7.567050123 5.743466846 13.04921127 12.93512875 9.522396841 8.691421862 6.7292594 5.708898989 9.784334177 15.44350184 11.91192804 2.8156402 15.02039552 7.660197712 8.351316425 11.29899343 5.931741645 14.22026773 13.7793923 17.43789942 16.52210031 14.0071325 9.079881527 12.24179269 10.15213835 8.374574243 11.40040006 10.3638622 7.12747398 12.25400335 10.13057709 8.762408248 9.109547497 11.41555751 5.867834867 4.636734834 6.264545576 9.978758306 8.865521141 11.25166473 2.218935964 9.349065843 6.627303965 9.22423587 8.878618861 6.085968822 7.616193704 8.014648701 6.324442515 5.415438547 8.607747363 8.85193409 5.551223075 5.559648215 6.889561336 9.877067831 6.312747856 7.490014966 8.698278707 4.452424499 7.129976914 7.467792157 11.4970087 6.547922052 10.48204169 5.716980684 7.532573489 7.568393933 10.67776778 9.325334704 11.1542246 5.1641016 8.950552261 10.2896657 5.208111873 11.54867138 7.583252273 7.60938731 3.456488192 13.51671215 7.927623612 5.408343247 6.373500485 6.339259278 10.46904358 11.74201315 13.45015578 10.87342904 10.8219729 4.814850495 7.401996193 6.521260558 8.637219252 8.090910967 1.644544308 8.428316198 10.54452694 3.852205192 10.24480416 10.30621225 7.742306973 8.756619861 13.22905483 4.881966293 20.66283085 8.598548844 5.506138585 3.594489538 10.22970439 10.33212669 8.712443517 5.547322537 6.581286253 4.031924031 6.742174327 3.982987477 4.194156169 8.491929271 8.430232983 13.55004654 9.502359741 8.489323392 6.205621086 6.062141023 5.893228307 5.772998068 7.940594007 7.751931921 13.25836019 Mannitol 3.02865804 2.262288865 2.7712055 2.737812012 1.81647938 2.151086769 1.642717946 1.755997091 2.465981671 1.726795531 3.069681954 2.548242932 2.839464623 2.308716163 2.372367258 0.894668154 3.004194644 0.251545449 2.497324155 2.541975522 2.220147916 3.381555025 3.31497427 0.676554271 3.390456846 2.437666824 1.519425996 2.352668655 0.124704426 2.54902868 2.908387098 1.662137877 1.332535616 1.499560797 0.748398165 2.102586114 1.790980637 2.125662315 1.830165295 1.579596368 2.853448408 1.63978561 1.90340929 1.097065228 1.920082398 1.865804488 0.224086111 2.335685569 2.354424725 2.488620058 0.603774729 2.257593627 2.410432742 2.55345649 1.810657844 0.372020688 1.641516152 1.324123917 1.468464455 0.291679172 0.121434675 2.102432003 2.143900161 2.209584449 1.426381767 0.813916022 1.505107079 1.25229991 2.128459547 1.850965634 1.397178065 1.69325084 1.362659337 1.516950388 2.135703902 1.42211605 2.171282602 1.121720818 1.73537444 1.738431164 1.63158769 1.06913378 2.266767578 1.125739387 1.774242055 1.772699601 1.717586091 1.934865467 2.367195441 1.564231531 1.151688233 3.42225416 0.580455417 2.570491095 0.962181924 2.799445166 2.543642958 1.567771843 1.607901963 1.763376428 2.488450629 1.978531514 1.59486277 1.812122132 2.56983033 1.779344421 1.291665163 2.29022574 1.736238113 1.32018995 3.431444099 1.18070436 1.453532698 2.027412615 1.885187545 1.087492365 2.97633486 0.527066736 1.12383538 1.732390837 1.83615617 1.315043446 2.437021342 0.347621972 1.69912182 1.396344678 0.913636434 1.667420178 1.901725528 1.311927372 3.005363425 1.126658611 1.1486487 2.520276445 D-Alanyl-D-alanine 22.62276282 24.72957148 23.76686438 16.50433356 22.95455652 14.75322187 26.07839819 20.83057173 20.12920174 17.98990098 23.66401932 23.31593311 20.90107236 23.38991235 21.84082591 25.36684083 10.63689957 19.66869188 21.05961892 24.35757319 12.85619396 18.1836991 21.29146058 23.40616302 22.18389031 19.19255243 24.07108255 21.91160434 22.64266078 21.7266172 25.61595791 25.34182147 21.87442246 21.94098387 24.62181091 22.68238631 20.09530028 21.8832191 33.61643783 20.13570936 24.76496272 20.61670104 27.04357586 21.42730726 32.7348874 19.56372276 24.2670395 26.21578889 20.04362404 26.58420773 24.34189366 24.64390097 24.19389657 24.83529936 19.57436772 25.75187633 25.21199996 24.02252785 27.01649556 27.06945444 21.36226323 24.17131773 23.47469346 22.74921777 21.98874588 16.40212093 23.80843691 23.55665332 20.85430708 20.58983556 21.23898278 19.49119505 21.02187135 20.94820997 20.41492442 25.26040212 27.66483491 25.92657288 22.84417861 19.39691951 22.26942369 22.01648274 23.01837392 21.30385422 28.16563381 25.36312031 17.32623449 27.70810715 28.32193616 22.53124117 25.21961544 26.86829251 26.34492636 21.7354874 22.33282462 31.66454786 22.38931474 25.50996118 28.79083373 19.87399455 30.20452409 26.03804785 24.53607482 25.65362785 18.27263858 23.35631088 23.88186399 23.17304968 17.17993342 23.32423813 23.67764249 22.01150839 22.02526335 30.21873691 23.11846778 19.16032512 22.10617196 24.89955012 18.70855106 19.42355993 26.27714622 26.04234499 25.59117747 28.02506735 22.58630645 29.36593521 26.83059851 21.16712289 25.82620948 23.03199093 21.36704178 22.30001186 19.48753564 24.63319673 Beta-alanine 8.199296584 6.617600817 5.998278777 3.528384723 5.613503049 7.588515964 4.993365187 4.782360899 4.69653606 5.421378476 4.776685662 7.809306626 5.89009548 3.492562748 7.71024109 4.869571282 5.634785866 9.037101531 6.216739691 6.635043194 6.147792412 5.603979992 7.251123442 2.77373655 5.673872626 3.812761313 5.956258471 4.442126525 5.851567287 3.953181169 4.179160091 10.4978749 2.85292445 3.551899592 6.314556356 6.999900104 5.300475361 4.712778997 5.215440745 3.467360758 10.72653982 3.326953126 6.443075112 2.936815318 5.270037378 3.536212777 2.534012508 5.520818707 3.357194447 7.08424611 4.099111507 5.105965337 5.495832413 3.974986031 4.898782347 6.839118424 5.351731782 3.033897799 7.113628476 7.360721039 6.047635382 2.480286178 14.03007818 3.069503661 4.704189268 4.115841732 4.224716694 2.757057179 9.315097689 4.415775367 2.84102952 5.677836094 5.621601136 3.302803889 2.211864173 4.05611153 5.431182721 7.675563064 4.740700198 2.479454221 3.197837156 5.319428991 7.360909032 4.580500856 12.99101254 5.882902406 7.863279212 5.518640751 4.13050775 6.049221655 8.179277739 5.583156502 6.055804468 1.322522077 7.459903376 7.240385655 2.301429484 4.666914388 5.028451358 4.154465979 6.876773721 9.125066722 5.194230562 3.288531567 5.185205413 6.166020846 5.806509955 3.588549886 5.34984841 4.4049393 4.609129734 3.802257777 5.163501029 5.584735487 6.40642875 2.093143706 3.245290686 4.956244563 5.254058298 2.489045204 3.245363362 5.458845195 4.306268225 1.675115549 3.092819258 5.983573391 4.074907002 4.012003009 6.276161625 3.101809651 4.893678028 7.353557283 3.114468135 6.071244832 Dimethylallylpyrophosphate 28.93319895 18.0154216 31.95107814 23.53139972 28.07964333 16.64542072 26.66119474 27.72275793 27.39411911 47.16638974 69.80456277 20.57349385 28.90002158 26.98455689 39.32078944 38.30035706 26.68976854 28.5880186 36.0745549 71.43270827 22.00321228 19.33412535 32.43044907 30.04546915 22.44133406 14.57083925 17.96290052 32.19022094 18.79017178 16.18641205 75.73782159 17.4419375 23.61992064 21.75615617 18.78006875 18.15322696 16.11258185 17.60598842 48.2942721 14.1484147 28.81587093 33.8182917 20.35364196 15.21175205 33.43560882 27.38770255 35.07898055 18.18997153 28.56254318 19.39947546 33.12768607 34.36927164 16.1435176 35.4812948 13.50135594 27.13431893 28.77268624 17.04078609 36.6233891 35.42172425 14.7250702 34.07970265 25.46794696 23.67410742 26.33744343 12.88246604 37.95861169 39.96999124 17.04879036 24.64587384 27.13120838 22.25043114 17.2139951 19.38487354 21.00069593 18.60919954 20.13297039 21.31414927 30.63226851 20.42574984 26.21181181 14.39673541 21.06605819 26.95538065 22.74876375 19.91618856 13.5253668 19.45713457 21.36066873 18.17229855 38.32785056 38.21231876 24.63774426 14.98939044 22.22141116 21.8502967 16.30373865 36.19343282 21.0848171 32.54760722 28.7825049 19.51074796 19.05923637 20.64619288 14.70817412 26.87281044 19.02788983 18.62913222 13.36591279 18.93151017 24.69865054 23.89486431 17.64416285 25.21551786 31.65812322 23.64342573 19.66606539 46.05134 18.84277464 18.19231832 17.08056987 33.69331096 26.70573086 19.54867226 35.73794799 25.91198651 19.54377828 14.6104523 17.22362782 15.64197595 22.26616715 38.26794116 14.71274655 24.17377383 N-Acetylgalactosamine 4-sulphate 2.250077529 2.474087131 2.536515013 1.288653852 1.298228971 1.560005594 1.342115387 1.444437312 1.471602734 1.488625257 1.242684833 1.444583804 0.745115303 1.483462932 1.03627266 1.057917827 0.632039716 2.091550651 1.862420707 1.583404776 1.535141062 0.865968526 1.21519979 1.031763846 1.009462899 4.585571938 1.633441127 1.052897759 1.672191716 1.067213652 1.342242177 0.895350499 1.09917379 0.67715478 0.697606893 0.91407141 0.697669672 1.052881971 1.718195592 0.757341376 1.494663966 0.9847756 1.086512958 1.210316601 1.420406161 0.659919129 0.835068519 0.91655746 1.144201334 0.959444511 1.145082292 1.521537049 0.728813216 0.825747886 0.887178086 1.106345185 1.829287932 1.365501134 1.11074021 2.181799415 1.347882925 1.615048514 1.132046405 1.280022115 0.731079086 0.885385824 1.204441326 1.545594948 0.581663889 0.907503384 1.52715999 0.998282439 0.643074779 1.260449287 0.99398831 0.975546083 0.802756866 2.355934916 1.075785774 1.028112371 1.108867755 0.95446829 0.960328237 1.152506925 1.336788928 0.941891164 1.283361653 0.734863001 0.904621299 0.896398946 1.256521425 1.544819382 1.161437828 0.70971416 0.788680051 1.882563558 1.224663775 0.63272976 1.04458082 1.144121718 0.948316982 1.145319145 1.024494613 1.563606249 1.132301826 1.11793816 1.032224159 1.634967423 0.792709755 1.097063766 2.40243494 1.157649666 1.593124984 1.681587036 0.853490644 1.380638085 0.843106179 0.977960944 1.140171152 1.207844684 1.100702537 1.04973917 1.116091941 1.698882636 1.087321232 1.675400432 1.194807149 1.313207623 0.935752757 0.668424662 1.135463075 0.829934223 1.017047015 0.621102056 Ornithine 5.339780515 2.738523347 3.178006873 3.018943318 2.803289988 2.54964183 2.421213754 4.772203488 4.422285408 3.318043076 2.74139331 2.097383085 1.319396717 3.025243359 4.820493224 3.239129738 0.791217208 5.084798203 2.403150247 3.340869859 3.764566951 1.834785825 5.169249998 4.49209135 5.823465549 5.33409253 4.622764462 2.770908868 2.955422559 3.612115964 3.153420098 4.75037222 3.664270059 3.857274857 3.868227026 3.539349781 2.912364166 3.02719054 4.122644567 2.172850766 2.420111978 2.132879321 3.509685682 3.249123959 4.327311582 0.103061467 2.970485405 2.325889311 3.220988647 3.385026339 2.03026961 2.82670685 2.898626674 2.114037552 2.216981089 3.111188675 3.290291076 2.244514005 2.365807532 2.772366287 3.778418898 2.346946793 2.851154804 2.659155 1.612881139 2.172887002 2.630810655 3.756383109 2.639918783 3.611318238 1.866165221 2.531748904 2.422016716 3.826002348 3.00014124 3.536426787 2.365128568 3.443423503 3.741612479 1.884268623 3.565469044 3.06778615 3.142108995 1.087857694 4.908250298 2.740159778 1.842904424 2.382430473 2.056012591 3.147536079 4.441688049 4.69854276 4.07689292 3.819478291 1.691391678 2.976879441 2.366349838 3.31986728 3.184376844 0.26798593 2.679640033 3.443382521 1.278772546 3.241504591 3.412675719 2.725791029 2.797563044 4.272060518 1.643164819 6.805013923 2.663737851 2.033028547 1.480946744 3.561354382 3.592240057 2.724340825 1.919967778 2.308844741 1.452965462 2.208494882 1.298050592 1.26999714 2.721478459 2.968211363 4.9222459 2.954749113 3.097891998 2.156913833 2.402459538 2.284143956 1.931968297 2.949927867 2.795526507 4.619208934 Propionic acid 5.29050396 3.166958299 1.032580377 3.023817523 2.484553937 3.880487719 1.686437383 2.511853187 2.236828537 2.580937525 4.761264997 2.594138265 11.1931234 3.032915536 2.290613153 1.871088891 5.106685761 5.828292277 2.81786176 2.072429418 5.567299315 3.28765829 3.506936853 3.324500121 2.823922306 2.301127697 4.260554275 3.300830194 2.306606274 3.083083227 2.483161286 3.610066774 4.645824748 1.889230826 2.027626674 2.402494242 2.547962249 2.482737356 1.544496356 2.210634798 3.698041652 2.619322121 1.797754221 1.457378325 2.049829741 2.916905242 2.977393413 2.264094206 2.784283643 2.080777333 0.423885358 2.902750553 4.350625897 2.531948523 2.178251243 1.189272967 1.970026931 2.653749382 1.886863145 1.40239731 2.083985428 1.54194097 2.944689661 3.344858667 3.556720099 2.354283961 3.171644342 1.628226573 6.847401343 0.893018468 1.81010956 2.193524613 1.662621771 1.981953724 2.109944324 1.490629735 2.925701584 1.515696084 5.023866475 1.726390789 2.405953124 1.787053831 3.461351873 2.314522468 2.720824915 2.247915144 2.489628638 4.980827508 2.550209399 2.127797537 1.566575447 6.250885225 2.285404575 1.990582446 2.53551604 3.445502915 3.169143405 3.271743351 2.143777529 3.57691548 2.273336376 2.791903632 2.674584114 1.275242735 3.686603856 1.822488519 1.599345325 2.905924924 4.021393677 1.413247408 2.735138513 3.466038201 1.699255819 2.364460301 3.238225225 1.11217505 3.559954068 1.026067705 2.466413409 3.576233552 2.818000763 3.07882977 3.295106003 1.146820071 3.134988258 1.590078195 1.277161298 1.759586898 3.605081844 2.300787276 4.70166759 1.565986389 1.739871693 2.901423991 Arabinose 11.68064976 20.22859764 14.50989278 4.149196739 4.110125578 6.303137897 5.960887983 5.2024955 6.833759105 12.76717921 10.75704841 10.53161598 8.214969648 22.73784021 9.721861118 7.165132138 5.424235092 11.16405896 8.042561622 7.641981695 10.84354033 5.332157497 8.983754865 9.259640762 9.645577813 32.27310971 10.73124243 6.129824375 15.56487649 7.198745988 10.43258233 7.712219761 8.039070556 6.085138784 7.153612071 3.869747244 4.082012791 6.205701398 6.878190625 4.528299884 11.99878883 4.948488162 3.494490518 3.665337583 18.7403073 5.747138973 4.284791117 7.895625243 4.926160515 5.833438296 8.265525687 7.476913091 13.38164101 4.903311501 9.730307993 5.781258383 8.700844642 8.047839158 5.388505547 5.951243931 7.489952884 4.90471126 9.51159245 37.86886509 3.985605014 9.360998151 4.950952783 18.94978569 5.061570153 5.727424788 5.668011593 4.419244828 3.991456074 5.935220202 5.956630009 16.18495406 5.756306611 17.82962626 4.243795699 5.422345608 4.949503128 5.876632997 6.079976068 3.563269348 8.361939399 10.62031648 5.97651289 15.05104398 7.230555943 3.663074665 17.22523992 6.537784573 18.51288428 5.920419675 6.396618908 10.14901307 3.627326937 4.743615717 6.200017938 9.616946667 10.89874919 5.051264854 7.626972045 5.684984319 6.79819859 6.744525006 5.374306453 11.88426038 3.805902047 7.980144689 4.294729202 4.398751553 5.588665523 6.165406913 5.236346692 9.673899041 4.516696312 5.89685427 5.66319089 6.894470952 8.21703515 4.402566949 8.607219044 10.53495556 12.42886886 11.93102976 4.855565579 8.807281653 3.173802622 3.359116486 6.37435264 3.942955837 5.03138363 6.199270749 Tyramine-O-sulfate 72.73041375 63.21663324 77.77885849 70.79037602 56.83582809 63.52102149 55.26986539 39.03782213 44.63004903 71.26967283 75.82563991 83.97135449 1.851515259 76.73071685 72.94385168 88.07843274 3.892130695 81.10445265 80.95629833 77.88976829 55.3142716 121.3036946 71.14195034 64.70726199 69.33832971 66.78913907 49.49382665 75.04642931 57.93852304 60.04297127 72.90013374 60.69788271 94.56023588 58.33961728 70.02928953 75.05553595 56.44106008 80.08720531 81.55220507 59.77900125 65.30833334 96.88317376 78.60281035 46.60955387 71.84974766 97.2893143 68.78526017 80.99004347 58.04406052 77.88715749 63.05248995 42.75127995 61.98097905 77.19420026 53.17066755 90.16670465 61.68294834 62.46390305 67.30169659 72.10826438 46.5750711 54.49607193 76.81209927 67.0307244 63.84317958 95.25349749 71.48132341 71.74857263 93.72320143 66.47946234 94.43203163 116.4544566 85.50539928 69.81558061 60.79081183 65.36513565 80.30906517 67.50123891 90.37484782 59.33342047 61.85542681 47.16528081 54.39201467 64.59881967 77.90346698 67.76139115 70.57141826 104.6728641 81.81853655 84.39910435 66.7739243 90.11909502 68.34027326 67.35536946 78.35877321 84.65831651 62.01058569 67.69454618 87.66284487 59.24973011 88.85008563 78.44084587 88.13711111 77.60843097 55.41175237 65.0899681 70.08531297 84.33062311 92.65099714 79.3388824 77.49288817 61.16798331 68.6725515 55.23498835 85.77491754 61.11993849 56.6032743 84.71432525 79.2008381 63.25028626 118.3094187 89.61045815 68.08448298 66.76336582 86.89816 78.09802669 66.50029071 58.71251308 81.14920068 74.44880951 70.73265993 77.81184586 64.21495993 71.786294 Sebacic acid 1.748393252 1.874287925 2.084911196 1.402728968 1.786010107 2.909211256 1.617964096 1.563367644 2.154507853 1.674251317 2.192088982 2.033424958 1.587589413 2.425471817 1.630948164 1.5532286 0.927657858 2.094416776 1.689593663 2.194568469 1.604139577 1.575817006 1.636423307 1.427294832 1.543096951 1.94446488 3.297017127 1.425128365 3.082567846 1.42627987 2.187795243 1.608751106 1.180594018 0.842458615 1.334004209 1.50322504 1.045679869 1.553227007 2.443823818 0.698788907 1.46829344 1.41674216 1.236456406 0.856756641 2.560027905 1.271486968 1.517601741 1.706338279 1.571480626 1.550356258 1.574855329 1.446012211 1.564352154 1.310028573 0.725453198 1.478421238 2.055345099 2.540892107 1.522708409 1.863143813 0.961896667 1.406939754 1.512724864 1.755143195 1.202925585 0.7852065 1.348719653 1.685551633 1.247508321 0.916196295 1.396828461 1.497101594 1.0212854 1.783205356 0.872329773 1.169862978 1.763577488 1.739399439 1.70069023 1.215469517 1.1535413 1.131661071 1.657369241 1.416749012 3.749288678 1.399611375 0.66790866 2.570401889 2.452060119 1.433091944 1.470421143 2.45772147 1.819837169 1.031288878 1.487961078 3.195546055 1.667863737 1.625633268 2.289287733 1.572812894 2.690410458 2.482117593 1.632905859 1.623278238 0.792377369 1.64582051 1.400553104 2.637095184 0.946715048 1.66093232 1.58249968 1.453403907 1.367087451 2.367612213 1.686931336 1.174347015 1.437440915 1.735344816 0.792752129 0.809764124 1.438092202 1.470563983 2.100348525 1.411843901 3.942862218 1.796989302 1.495675223 0.832320248 1.364342764 1.131548876 1.55843572 1.514731884 1.574896759 1.309490888 4-Hydroxybenzoic acid 4.73127758 57.18094223 9.670179229 522.878805 8.160415194 1898.439018 7.614229215 7.321294755 7.77503417 507.5897445 6.44928775 5.965800868 5.013967572 5.141542705 4.588081533 4.286134985 1522.097829 4.303157352 11.53464229 3.839663791 1033.416145 4.812131639 5.280885784 4.157239836 8.689873653 5.315902129 5.39873464 4.162659613 4.574415642 3.925099224 6.150554887 5.498212013 8.565200256 7.118581546 6.590687851 14.97357239 8.376192185 6.732096103 6.986196903 6.279469195 8.560431247 6.190184823 5.388983089 7.120502549 6.62879656 5.222914743 4.462321609 7.153102243 8.177039273 5.390164117 5.157175139 13.38104797 5.988878457 5.252007282 11.19659127 8.305229735 7.551245064 6.800534568 5.941481205 15.45958209 3.480012812 8.904781726 5.180514304 12.20659496 7.821706421 5.998896942 4.639195145 8.731017523 7.403466921 3.695458545 5.49831018 5.71248904 3.786209442 3.620416055 4.568256747 7.703161567 37.19658799 5.370831687 3.308544968 4.322300312 5.073385994 4.467535987 8.996218422 7.160395118 8.51328265 4.779641311 2.900121767 5.980380606 58.6603604 4.644452017 5.857602913 4.766582808 15.56931418 7.764489278 9.739564622 12.94601586 41.173454 11.26392182 5.168429781 6.786185463 5.601239444 6.027154229 7.652335839 9.449484431 4.738768061 4.190059949 6.456279467 4.676827809 3.49356038 7.054828816 9.288761576 4.996782063 3.75389788 16.94044991 5.576743553 3.661311545 4.284404444 10.6135299 3.982534915 5.613864847 6.846739617 4.426150364 4.620316078 5.697932404 9.967559519 5.884244098 7.769102678 4.100049671 5.928609107 8.384394193 9.998938104 5.374945609 4.735026815 10.26869177 Isohomovanillic acid 5.945612182 3.741692771 3.523364694 5.305495374 2.093110845 2.232011494 2.317592462 2.57039514 2.749892765 3.845635373 4.007802954 3.483865451 3.934444931 7.733491044 2.688788224 2.546812603 3.173580539 4.337468426 4.012362046 2.920436542 3.581000861 3.022196324 4.292712824 4.097500944 3.698341159 6.347905229 4.402265015 2.727588137 2.696769139 2.734428284 5.402151253 3.214934906 3.94096299 1.132335284 1.404468486 3.744875869 2.232537768 4.343124019 3.216790926 2.244563645 2.857947815 1.840999919 1.868703703 2.287480797 7.444413655 3.026143489 2.861479683 2.618130269 7.399815002 3.5101715 2.572954598 5.02319552 3.169760029 2.753124878 4.123742741 2.081580108 5.298988845 3.619340349 2.338393678 2.395725174 3.22968407 4.878149228 2.275010989 4.430280268 2.400565809 1.72197442 3.302489613 3.200632006 4.079538217 2.719375076 6.105208768 2.344225458 1.056588196 7.953604472 3.409219661 3.175366958 1.780919845 4.764632919 4.541263186 2.417395835 3.933861763 1.900934434 2.286408175 3.072713887 1.79914455 1.447126926 1.602148679 2.210016192 2.429524853 2.212674196 2.959871662 6.621961456 2.775706446 2.950861279 4.547890977 5.952520816 1.924830092 2.515678329 4.766768576 2.60560452 3.440951744 5.840597492 2.811389223 3.880701742 2.647596716 3.353571495 3.36389666 4.034082476 1.551200746 1.855257685 2.864468336 2.638723209 2.146993588 3.833992192 3.613369179 2.112587419 5.998415017 2.088528027 1.538559191 2.766123737 2.465904936 2.301917093 1.282101282 1.342206852 2.395141525 1.016907419 3.373118454 3.382035253 2.809378944 2.99646476 2.108201944 1.679053488 6.519091959 3.505201405 6-Hydroxynicotinic acid 1.127591612 5.193644678 1.784898788 40.66350633 1.534186639 163.5173944 1.569226651 1.361035183 1.315796399 40.65047415 1.668685396 1.564966025 1.338893633 1.374541022 1.024138597 1.481390175 126.521762 1.158674606 1.634153592 1.320409283 82.14084657 1.187746651 1.255788786 1.322994101 1.480030683 1.165883847 1.405744616 1.223760655 1.351006949 1.249810034 1.322441272 1.352119818 1.485425835 1.418790414 1.688157615 2.076027207 1.343020667 1.365442422 1.991865317 1.204005676 1.56787913 1.263205792 1.337304081 1.328853735 1.927000197 1.088926891 1.191534474 1.659225783 1.376675348 1.441210989 1.4222836 1.960171428 1.441016795 1.170433793 1.468031059 1.599591536 1.512378993 1.372175321 1.318111855 2.068309706 1.048375103 1.484087596 1.367357234 2.017848053 1.640854243 1.080838565 1.46197735 1.585565882 1.424735614 0.891106549 1.291116262 1.272852301 1.216553328 1.238929348 1.253844416 1.466115671 3.726605464 1.307345622 1.282267602 1.079683432 1.141136612 0.939366673 1.444797782 1.443080233 1.520988282 1.307217146 0.79713176 1.568601117 5.309220255 1.628839969 1.652605839 1.351589076 2.388569954 1.293723821 1.691057986 1.976534052 3.684558419 1.85485926 1.722804238 1.434358732 1.486843418 1.7579459 1.600068135 1.883373777 0.950769394 1.140081709 1.336464402 1.3368481 0.826458606 1.741510465 1.748146653 1.3059102 1.404129528 2.521144676 1.195889396 0.920443157 1.312175797 1.850316891 0.860589098 1.124741794 1.339097744 1.466661644 1.342684149 1.703094554 1.854873912 1.756951308 1.650141173 0.980112774 1.456681408 1.485398063 1.391273788 1.388763512 1.162217859 1.590893591 5-Acetylamino-6-formylamino-3-methyluracil 11.50450805 9.126540414 10.96243114 10.85782362 7.595962621 7.933209123 4.620104655 3.756819403 5.91964782 8.397243124 8.996913113 10.41271177 0.252470933 10.14260105 9.578575618 9.974252192 0.29652039 11.49857564 10.11894341 18.08716899 8.289011942 21.18195681 8.885565554 8.387115451 9.991987691 10.3055627 6.33536234 8.26723202 5.368753858 8.513100984 9.448415101 8.034656714 16.3716523 7.248469539 8.389257615 9.552596313 7.310469884 11.52799901 12.09858764 8.411947542 8.871440415 14.45986611 10.25530296 6.662819366 10.25737053 15.99024306 8.58895202 11.01610917 8.312208986 11.70043409 13.87878526 5.739356689 9.018660665 11.31632631 7.112871869 13.29851435 8.944463079 8.987069422 8.438955542 10.37403472 6.549773321 7.78296067 10.3895722 8.97665365 7.298408804 16.7190976 8.506961988 9.172572095 18.71957618 8.830276663 14.35889375 19.91833189 10.63117956 9.017643684 8.17844169 9.349852605 9.994275724 8.288375526 13.77166192 8.02306838 8.330346136 6.262693181 7.343617346 7.650161426 10.67785823 9.703753311 14.14463992 15.94924604 11.90371408 9.43636676 9.616873848 14.63278966 9.545084291 10.12904038 16.71005369 11.79556097 8.720149352 8.957362036 13.28789275 7.318391512 9.589831245 9.827554623 12.09196318 8.938918223 7.575986485 8.492177409 8.402905933 12.3980361 13.43203176 9.881950793 8.750200463 12.98818238 9.172304562 6.578813085 11.93697839 9.206376282 7.2761874 11.98318964 12.76015081 9.746656254 20.38661272 12.50364347 6.609348328 9.536441793 13.03906995 7.706224937 8.87590191 8.477897131 10.78924522 11.8105597 8.7181417 10.09089216 13.9183268 9.955106844 2-Hydroxyethanesulfonate 2.022897872 2.482656627 2.347369633 0.926423757 2.475073606 1.838778681 2.121357697 1.502356626 1.418893944 1.865983968 1.357497326 2.021390849 0.155778218 3.259037721 1.70612721 2.108437197 0.041249778 2.642394453 1.759771839 1.465701204 1.527897755 0.148859121 1.423435444 2.625340072 2.15408354 4.263264956 1.982367664 1.649104122 1.127561976 1.936126184 1.150737543 2.634248312 2.460773231 2.849680642 4.298828783 2.344327675 1.867802975 2.552306521 3.231420725 1.663099531 2.009327505 1.129785859 1.92791373 1.749334661 3.300347416 1.13244715 2.88156668 1.949523206 3.495648526 1.980077471 1.654291227 2.479091646 1.786288603 1.833989778 2.323739221 1.967388533 2.551016244 3.289077442 2.436623731 2.523357126 2.085256082 2.610791181 2.844155602 2.711479744 1.976493218 1.076259387 2.854545401 3.364984558 3.278664852 2.225235152 2.274325619 1.830772971 2.084121999 2.907807351 1.689574751 2.232071756 1.510892033 2.231520757 1.679160416 2.408405724 3.033573582 3.111995997 1.723764786 2.532759632 2.312930529 1.696654653 2.21314742 1.702704794 2.39382942 2.328359377 3.15165834 2.654320573 2.458257543 1.545328838 2.807717544 3.010580348 1.927306773 1.506957893 2.603031023 2.094091936 2.919618886 2.682229777 2.70257994 5.380261492 2.507680495 2.647296472 3.375044248 3.380729353 1.03332343 3.605820511 4.518621251 2.990907937 1.348960595 2.95321862 1.856734056 3.555717853 2.404173733 2.474932121 1.224537307 2.065592203 1.063506051 1.400580529 3.611651803 2.300252656 1.478595094 3.133309097 2.820326581 2.059916493 1.799338121 1.247229187 2.155329202 1.718538156 2.798357347 3.074390407 Dihydrothymine 1.332997161 1.006221456 1.468955471 1.208293111 0.996002421 1.197090758 0.84680419 1.069516339 1.219647049 0.902012731 0.419350409 0.676712861 0.234071507 2.105936228 1.432704413 0.751409347 0.165235072 1.527401243 0.988781572 2.697923169 0.51269323 0.198525611 1.305084028 1.059071698 0.836294066 2.754938669 1.256925796 0.781919817 0.641834656 0.947491519 0.415442783 2.090512057 1.693785769 1.837614349 1.848281012 2.164041206 2.012634924 7.404789347 5.992112035 1.553515763 1.606675414 1.079376169 1.812499816 2.458162994 7.429736778 1.090659602 2.220091915 1.208949015 2.927223608 1.825979588 45.25679958 2.43374332 1.838441066 1.45854296 1.488143858 1.466363392 15.44924088 1.746609893 1.502142158 1.781022135 2.183343591 2.579524888 1.589885584 2.692362802 1.194074555 10.26894536 2.200334086 2.783465821 1.134462539 1.81238989 1.204505918 0.93651427 9.108622564 47.50561328 7.366956323 1.955175612 1.605413561 1.579744972 5.040639946 1.78841582 2.930568269 1.799221223 19.91632989 2.523866717 2.346509433 2.40938515 0.887973874 1.353769888 1.453656464 2.139806181 2.055069149 2.168300803 1.784981313 2.123469872 1.81940799 2.269917184 1.720820244 2.28588365 2.584019032 1.917858545 41.70549961 64.3043256 1.426894116 5.047893338 1.652829421 1.797020222 2.258556171 2.579866582 1.078222147 5.25777815 2.652958414 1.526243685 1.30146245 8.387265136 1.092339323 2.368862483 2.129574025 60.14546146 0.855498588 1.370128265 0.798778088 0.747912878 3.16344117 1.97984536 2.038717205 1.857447137 2.140907621 2.007225676 1.570554268 1.438359138 1.488641923 1.747608593 1.569021108 5.21061149 Proline 2.449881974 3.5388787 3.553086174 3.154567328 1.855550756 3.185053458 1.162176371 1.331418103 2.174642001 4.520518374 4.351793298 2.461104703 2.702715821 2.675827292 4.50864706 4.369572497 2.738466927 2.228982693 2.636525803 4.538379026 2.777486168 3.554299078 4.024450818 3.215011552 3.818842296 2.203694138 2.119915728 4.134806212 1.674912984 2.782197959 3.704755887 2.396135064 2.777892075 3.118173861 3.084377957 2.751259083 2.652752009 3.515819919 2.031125515 1.345740788 2.308821543 2.499428851 1.553571648 1.747641673 2.53082301 3.917963432 2.672485782 3.841793343 2.221360273 2.113359442 3.487959104 2.646087087 3.655055829 3.080228436 1.593404746 2.302146285 1.678516681 2.468858282 2.490206682 1.621361041 2.262394076 2.373284045 2.737052572 4.201238941 2.113438865 2.000447852 1.597389074 2.392262468 2.607692098 2.209067796 2.002271918 2.078869461 2.196385598 4.231882871 2.161394387 2.061606224 2.361936837 1.961109608 4.375572753 1.879776996 2.010607548 1.793145512 2.35104711 2.951071494 3.867609973 1.881425966 2.610421204 3.128890965 2.10800831 2.404117886 2.159737116 3.720298663 1.950484146 2.969823813 3.099298148 2.24388307 2.123898497 2.344418198 2.02700078 4.140867628 3.382651978 3.580657118 2.237869918 2.951267718 2.676879441 2.876573777 2.243350995 3.211153604 3.114651895 4.149655915 3.811400003 1.770916136 3.032969884 3.196487903 2.892868401 1.798808752 3.327835753 2.285139751 1.414484297 2.077053163 1.741700264 1.58189342 3.956407513 3.154967062 4.22828387 3.434215191 1.397879804 1.936978793 1.737669139 1.357246479 3.49572749 2.962489958 2.251184564 3.104759172 4-Hydroxybutyric acid 120.8372445 115.1649686 83.22144068 85.87445445 123.0731836 116.5161915 90.64357221 80.5547484 104.0054111 47.31337565 73.00046908 47.83233644 84.32670285 42.45973303 73.17725198 58.57222145 41.14695071 116.249579 59.01275022 32.0165339 98.99294164 159.8256785 93.63793167 87.62159063 57.48311571 38.75575217 220.2339482 76.43942047 64.39736998 54.29894531 81.48035636 69.82964127 180.1459106 104.4156229 56.51201987 126.1858055 80.42409423 98.34467687 72.92344596 153.0722285 128.8786724 51.20763509 94.80537029 49.91712211 89.6111127 135.3686679 72.39530369 82.07766918 153.2237013 112.7939041 23.58450251 86.15116685 129.2293646 128.1463229 63.53886963 70.34602234 137.0665516 102.6081692 78.6339354 92.05783091 91.20309687 47.7468927 94.13908363 60.89865468 94.05610669 55.65294073 85.49307589 53.02962297 151.2344395 52.20091096 126.4884697 154.2936724 109.7786702 107.5687343 81.7716895 64.70963067 77.49199557 102.556389 250.6571705 52.76840569 89.62653329 67.18303014 62.48521551 115.0445286 98.20393212 83.60016133 83.00814679 195.2954475 74.41591405 163.3958628 80.9405206 164.3016429 80.65778005 69.45082127 106.9766996 224.8572988 94.09044228 108.1799517 129.8141659 63.30972761 79.86923825 77.5396913 88.7927992 61.84594207 74.91772828 79.71490877 58.77246986 86.22819534 130.6279101 41.61881329 63.11805026 80.26448463 138.0824571 81.34177873 90.3448797 49.94226323 152.8849278 23.58881174 98.86845705 200.2775386 157.6569177 164.0942715 69.58697325 29.80679128 123.907969 51.25099948 107.8810306 84.03148179 151.4888252 105.7055263 63.56911893 98.4369804 68.01933198 70.51420356 Cysteinylglycine 1.855556221 3.532144485 2.115548673 0.799571041 0.863443793 0.980449982 1.010926087 0.828991217 0.909502856 1.749411534 1.352836199 1.12416794 6.161663845 1.293191956 1.284189899 1.791722164 5.903482895 1.780449313 1.164060285 1.558526917 1.346407533 0.869293069 1.235643524 1.280716722 1.218564573 2.882216713 1.838426338 0.846827026 0.957625573 0.922764799 1.633898456 0.98847662 1.26863238 0.801411285 1.00928694 1.061921199 0.876814236 1.353940735 1.217312291 0.886784811 1.268301849 0.729024031 0.68461362 1.115633757 2.166862791 1.230797013 0.776777971 0.96740118 1.285858955 0.914639454 1.033608676 1.33215391 1.202917466 0.838638279 0.611354007 1.049451145 1.382547576 0.886985666 0.924356431 1.275068699 1.18870636 1.679268681 1.430342058 3.119907474 0.646375246 1.043744617 0.993114821 1.710055627 1.022305931 0.937797497 1.356173111 1.672518333 2.00061107 1.114539388 1.083595178 1.847338588 0.882922084 1.564063372 1.138567271 0.681216582 0.894249719 0.948028321 1.014494118 0.70810533 1.302370003 0.835064196 2.114545306 1.852713898 1.389589415 3.636212156 1.420191487 1.124492178 1.661059176 1.14956739 0.976847169 1.365398939 0.913741907 0.996354107 1.06917942 1.16429945 6.233235027 0.821894902 1.07021902 3.495923407 1.113925352 1.351213188 0.874943904 2.757604167 0.817763657 1.470388328 2.87000186 0.931710767 0.953378517 1.386841449 1.260376068 0.902312628 0.935290055 1.035599746 1.239860636 0.851871785 1.912662014 0.993900731 2.472597556 1.190075614 1.394975364 2.641497834 1.058169014 0.763150527 0.913755083 0.628610808 0.987291992 0.915496328 1.292059516 1.297825477 L-glycyl-L-hydroxyproline 4.410437186 9.441597512 3.301125906 6.886152916 4.385476958 6.591450722 3.474587892 3.642429707 4.671240567 6.488155719 7.812198454 13.05730009 7.408980677 6.537608517 6.794189686 0.507184938 2.227489508 3.078996075 6.378551395 7.028591297 6.877115749 7.28407033 7.704992126 6.213506125 10.72003419 3.930351379 5.664580044 1.44838071 7.16572596 2.792034053 5.520091257 4.718345297 7.093459476 7.074180944 7.606629434 6.193897774 8.398289974 9.014784381 7.445127682 7.185776905 6.447245898 5.900659489 8.311230196 5.482441883 9.171401195 6.252611128 6.189166478 4.840025429 5.373142784 7.204658499 9.214110577 8.356505759 4.683677898 7.132189606 4.403079229 4.949474362 5.798727625 6.141095108 7.211520181 9.091577288 6.510811978 8.459807041 5.784462106 8.174845615 4.129283967 4.344262192 8.684198997 8.792370074 4.154201763 5.563111629 9.318330254 11.13608008 0.940564905 8.312073834 7.343703522 8.813407755 6.034930134 6.542796313 5.085571096 4.112234963 6.098909466 5.97908106 9.601247337 7.90808642 9.319778163 11.5832671 1.01972286 5.753853231 7.640184912 0.651116556 5.85320572 5.297131291 9.970437263 5.702354275 5.77152116 11.6842104 7.588304751 6.867960666 12.13532078 6.160455358 0.698857384 8.176763023 8.380369983 0.740781464 2.29929936 3.678732326 3.662444421 5.337271151 4.306437632 15.2339633 0.664595304 4.248315185 4.705751201 13.65862422 7.098315055 7.221174581 6.129379614 5.927922847 4.962603095 5.395765328 14.24277284 11.36548233 1.52544955 12.71026531 4.347286268 1.687777117 8.042027423 5.428253829 7.335935504 6.352139187 6.450729368 5.034736996 3.184459394 5.128640891 Glycocholic acid 3.742515673 9.219178255 5.97701585 1.979921694 1.938920726 10.38299996 2.363370168 1.731748443 2.866442024 6.756682739 15.50418698 4.64027827 13.99029948 1.695394017 13.29481587 1.871751229 2.310065273 3.11799124 5.713643088 4.689928261 1.737302737 4.20805938 2.667733831 2.156270387 2.594835623 4.641514376 1.465745195 2.861657474 1.904350556 1.951342817 11.60551334 8.187882068 5.99803557 3.124780165 1.261042557 1.950091665 12.2357242 19.1394904 6.590983283 2.179799264 9.280716565 6.359506769 8.444036065 1.794650308 1.778368155 6.44775209 12.91357875 7.290571631 1.079672765 4.952422643 5.427126964 7.832229873 13.55257241 9.494419855 1.079589357 5.206816417 12.67439102 8.141130008 1.841990692 2.547048134 2.444790043 3.788273349 5.6578713 4.694066253 3.521549942 2.886859199 0.938815911 1.609635765 4.748327531 2.807453444 4.80853668 6.559347358 2.475443345 9.204751508 32.33693341 1.780340449 6.657599718 5.519757765 1.068557659 4.238173408 1.456616246 1.702836979 5.015102089 0.394336192 8.368878838 2.252282065 7.670776629 5.821958065 13.09499898 1.011461732 5.998042655 13.1724877 11.70241283 5.177430952 4.302402312 17.50210881 7.011232279 4.54781964 3.211486085 3.143539505 8.511743076 22.4090236 9.19183386 14.64390257 3.8225081 1.523236852 2.214661084 3.088684234 4.576139295 32.92512776 11.19451209 0.844115354 9.727661344 29.79462798 4.161621637 1.320453093 11.04022558 3.475230347 2.411792327 0.636350185 7.091829313 4.760794413 5.236766976 1.566631115 6.789858769 1.005310521 1.607570785 2.800279826 1.229953934 4.261333187 10.74484536 122.4588293 2.735894011 18.07067916 Lactic acid 1386.117472 1584.230625 1970.775383 1266.905471 1762.990308 1027.304136 1716.301291 2241.44097 2071.387459 672.6400199 920.5037266 812.103244 1368.283516 1635.874787 923.2645848 919.6164866 1132.324234 1446.879581 943.4853364 1670.566399 1136.00091 1605.552751 1240.060641 1347.451792 904.8210318 1204.697378 2583.831807 1124.574805 1504.885854 1035.481614 876.8797218 1524.157955 1247.043634 564.2437636 1367.746411 1134.352817 1037.385515 1151.273617 1561.011866 817.8086046 1325.229863 992.1909231 796.3347567 1278.66565 1470.726698 1528.834899 1386.653012 1640.819189 1257.207642 1106.727691 1436.52197 1719.10638 1636.860103 1240.185854 860.4307596 1207.093592 1156.543039 924.8749528 1096.823034 1131.410218 1475.107956 1584.508075 1392.459426 1241.636149 1232.111124 1071.497915 1271.380687 1192.33417 1387.935229 806.8307121 1615.506994 1082.880725 1101.99044 724.2774696 989.2774433 1447.255353 785.6664234 1098.719277 1351.017367 942.7675203 1147.972553 1187.285602 1268.955397 1474.186457 1658.399983 857.4187299 772.2206277 1873.790484 1724.398649 872.6149979 1057.568628 1418.273125 962.287892 913.0326109 1352.830915 1112.531651 1755.625643 1019.556525 1479.297717 1362.087857 1864.681549 1489.090415 947.948845 1301.901357 1285.821908 1581.212017 880.2926957 1392.263244 979.7962654 1184.172573 1067.633373 1283.279005 1471.19615 1836.015237 1100.365579 1019.587004 982.2025242 1420.407041 1148.12327 1464.831101 1001.470721 1253.575716 1235.486773 1036.675453 1538.908513 972.6671575 1162.440847 1182.967343 1083.40345 1078.836695 1310.327081 1125.788513 1025.713088 777.3045996 N-Acetylneuraminic acid 2.28895696 2.63292631 2.319635841 2.177784341 1.878948456 1.871263741 1.403208376 2.819968794 3.036285692 1.72275328 2.510432743 2.092044686 1.378339546 2.235725118 1.57310596 2.067973501 64.94207798 2.531620397 1.959111535 2.231771128 2.206350105 2.775816836 2.268674238 2.348282658 2.477490063 4.52093116 2.902972372 1.947032793 3.353514626 3.515601604 2.107694409 1.130063678 1.248324872 1.147734522 1.12066284 1.514918543 1.285414993 1.285315892 2.000914182 1.145099825 1.405232435 1.46017047 1.269069845 1.530434389 1.958489451 1.239396485 1.165615659 0.89210006 1.65333295 1.448390852 1.374517205 2.462783837 1.183453356 1.281975242 1.349360384 1.446004419 1.740467094 1.421596506 1.52246234 1.884402867 1.531389728 2.595801226 1.547903399 1.434659127 0.967460886 1.122767378 1.568781793 1.408374726 0.937535235 1.008914009 2.383915134 1.647748085 1.257840595 1.465551508 1.161063666 1.325131708 0.880134748 1.533702669 1.603301959 1.063869039 1.351659297 1.25192919 0.888473539 1.209992108 1.510232432 1.167410294 1.272281772 1.266583418 1.504351314 1.105222997 1.335798786 2.31675544 1.219902067 1.021893651 1.512595248 1.783803972 1.294354352 0.878665437 1.50677303 1.497891522 2.01835523 1.604904892 1.280714095 1.871449055 1.467085304 1.774652703 1.417355872 2.854381374 1.331873087 2.628195235 1.496212699 1.364216129 1.821243478 1.943196322 1.388066725 1.689578439 1.39390449 1.547251857 1.611037367 1.922138962 1.87198454 1.832618521 1.380051654 1.370858581 1.198694567 1.707446577 1.023399588 1.404253774 0.9297829 0.897385668 1.244804461 1.163892264 1.714648112 1.022576261 Gluconate 14.10706857 13.14726592 11.27474044 6.772882451 6.755909935 8.833526678 7.73560233 7.423854772 7.587787442 13.54383249 9.932426289 14.70485379 1602.297292 15.95120633 10.29160851 14.35091023 1554.903313 14.60537986 11.1303673 15.44489735 14.92952616 17.61541676 11.94030714 14.83361211 11.81711172 30.75614871 7.320441201 10.0913014 13.6313563 13.81876811 9.878784541 7.977248559 12.53329438 6.166170446 13.95876811 7.390779528 9.431344727 9.280660941 17.03684129 7.837063209 8.931524696 7.548278879 10.43072038 9.237317035 13.83895723 10.14894306 9.187970678 9.795291727 9.101011467 10.26427183 7.873372286 11.93195504 10.11452849 8.52405555 8.125297724 9.343296043 12.87933193 8.046970674 10.87505581 12.62880592 10.13490448 12.36927723 11.07007296 16.00432444 6.863358711 14.79978575 9.401530369 12.48866199 7.413681133 9.300392614 12.24797721 19.57264658 8.671811713 10.99534632 11.32455801 7.771780796 9.018519201 12.82527533 8.902486501 8.006460068 10.09685632 7.463194651 8.660661837 6.795845059 11.28764467 7.447785853 18.58433653 11.79777413 13.4461146 9.907131035 11.37335365 14.66522769 15.16461419 7.391022198 13.56005706 15.71052157 12.15792117 7.15314621 12.26012133 12.9370876 10.69118143 10.90693835 12.01493393 12.17770577 12.08169207 8.705729383 12.24167152 26.05987733 10.01847715 14.49657649 8.381005571 10.70605172 9.408353229 14.16332734 14.90268816 9.575032392 8.919906792 11.69270049 15.88163681 10.86409337 19.6414358 10.79833764 14.30412282 10.65748647 14.23342808 15.80724631 10.12610038 10.54009193 7.017421936 5.528560109 10.05310893 8.637750655 12.09368057 9.314274328 Glycolic acid 5.056032011 6.889496035 6.961696715 4.118685962 5.341747744 4.39715887 5.326717454 5.834638604 6.137930258 5.848140089 6.618706727 6.027379337 20.22702824 5.157311193 7.889172584 7.550455894 16.28736978 5.197503305 5.577478753 5.100320148 3.784862683 2.999495409 3.382039335 4.796989598 4.488544911 4.520851008 6.583450917 3.661887168 6.208340138 5.019263828 5.610803988 6.260468207 5.990166034 5.984994083 6.655073576 5.292291368 5.132243029 4.445365863 7.510193465 5.583178404 4.846924442 2.942441903 4.383878183 6.907943992 8.040091634 5.017345113 6.545775542 3.93747848 5.52272893 6.680562564 5.54944938 6.989434859 5.344440296 4.698089658 3.750599751 5.933997656 5.627069475 4.486127512 5.266214822 5.656684788 6.012307912 5.350779183 6.054068994 9.543041869 5.21490209 4.901196357 6.457497396 6.961967374 5.842756261 5.562862633 3.880302631 4.754233377 2.776901459 4.230544253 4.623683621 6.914193722 4.930682625 5.338607894 4.569007737 4.903719409 7.700914832 7.378156607 5.678162663 6.267303185 8.700972565 6.625172591 3.381408854 4.833517702 10.95133543 2.776632399 5.441926054 6.036546331 6.935297711 7.87134945 4.570324105 4.429955989 5.189071085 5.546711815 7.479988712 6.346697443 5.212889968 8.235097209 8.945252271 4.721575696 5.012026978 6.383458292 4.446760331 7.012888958 3.17456384 6.620258971 3.502181835 5.955947343 3.96663491 7.720670438 3.939917648 4.297880489 5.601098025 5.386074586 3.238873239 4.596983053 6.105283107 6.682297265 5.252115143 8.73505863 4.002208127 4.262652213 5.973764037 5.339110765 5.067819241 4.063520522 6.478495515 4.808562666 3.55798404 8.602409658 uric acid 290.648286 179.2038436 254.6187433 274.4212824 280.4078058 207.6717985 216.2154383 132.5888882 146.659511 198.0204396 214.5161814 209.3122392 214.3433612 242.4846404 229.1533401 199.091074 191.0915505 320.7177666 288.9195777 252.1340435 236.5057739 167.5451736 192.4821214 205.6028139 338.3303913 319.2876026 167.8458315 226.0096825 165.6569343 201.2786444 232.2436988 206.8084438 171.4496555 89.10327864 154.2548953 313.0692361 210.1834578 287.3910804 321.8036353 196.5047679 243.6510405 166.2544587 256.0130947 191.1303543 250.3502448 129.9275085 232.3946818 167.4124097 303.7317894 266.2502832 174.242045 225.2258858 188.4456017 246.0170692 190.8952074 212.4275895 257.3808436 183.2856152 153.9458005 226.445629 159.1852829 209.4816914 169.1905685 186.875644 150.2608674 162.9258284 181.7728529 232.3185835 153.8274703 135.9441694 199.6777034 128.0826467 207.7593091 259.0539991 150.054497 272.3726658 262.0133548 235.7689529 230.5225244 124.2826727 205.8047338 140.58558 137.5816501 84.90733274 292.3828338 221.2739004 194.2040472 147.5205662 270.0348909 204.8812914 253.8052805 227.8271143 231.9440907 175.8819105 164.472193 215.8968806 154.899326 207.8143284 305.6580346 124.1052903 250.2679447 211.3339526 177.3795328 262.5523205 180.830834 218.8999948 192.397949 317.4550814 180.1755116 251.270826 219.547179 193.8869179 232.219196 154.9564815 217.0960694 188.7751763 232.4716223 299.2511046 228.8571265 247.0862059 92.41312817 188.8454511 237.3720536 179.7399369 138.5899857 198.2960727 311.1033381 186.5835129 191.2950936 151.4303178 236.0143063 292.2683996 213.1600389 190.2802013 Phenylpropionylglycine 7.09946009 12.24179297 4.576703149 7.417596241 5.869659611 5.644464323 5.52054954 4.213069184 5.17337532 8.053385408 7.369667061 16.69764565 5.911296679 7.069431379 7.412203393 0.392432416 1.911570737 4.811017756 6.6204008 5.739746219 8.860432374 9.88671962 8.480318308 5.939855434 7.567618858 4.531737241 4.236982106 1.341521389 5.88429998 3.457907846 6.729242935 5.057401169 5.735954923 3.794115883 5.882517512 3.647115441 7.154082883 8.38498176 5.900566209 5.125402771 6.904579628 4.395607503 4.611480426 3.250608959 5.647741742 4.746586014 3.777727871 6.069976008 5.305672031 4.578676496 4.787026737 6.05696004 4.123084322 6.289240361 4.116299997 3.276113731 5.294652999 5.350917536 5.990702402 7.653921429 4.473017864 7.879558355 4.967247896 4.710336604 3.495021722 3.656779253 5.921853172 4.437444564 4.297065837 4.531863924 8.311553295 7.969116182 0.646181455 5.367794164 6.758422147 6.313382542 5.307449901 5.328054551 3.824601664 3.909937653 3.807145733 4.655839694 6.841936056 3.561771699 6.174968464 7.150003049 1.099280389 4.878402424 7.680252904 0.455507723 4.089010691 5.87981062 6.014841129 4.471972167 4.760871037 8.086650608 6.383172508 4.972268071 8.263168853 3.788387271 0.432773544 5.439874484 7.887315262 0.609904444 2.146435821 3.012709327 2.607615512 4.312396882 3.225481212 2.47862793 0.516185207 3.842508454 5.05740008 10.17608378 7.214692507 4.860690232 5.777656614 3.53501328 3.946666394 4.70392088 10.82492666 10.93830335 1.379498707 5.3605225 2.652949965 1.050851489 4.628902234 4.15817154 4.324183662 5.101211487 7.618844616 3.224850739 2.944956345 3.942750943 Pregnenolone sulfate 2.883343687 4.737251203 2.929832302 1.866313119 1.770520024 1.806184146 1.356367801 2.698089375 2.511437031 1.736463702 3.338930534 2.619763047 2.290755047 1.967133649 3.523492156 0.841077139 2.151828005 2.420949259 2.93437329 3.941313093 1.639443282 1.823729168 2.572029251 1.711752708 2.206697683 4.452288187 2.752377139 2.421966799 4.037214558 1.33692354 2.644935263 8.685690857 0.010478043 0.980020493 2.167069025 1.972970518 1.477196325 3.006253347 5.163402065 1.547313339 7.620370485 2.428037483 3.98741265 3.68878841 6.421334109 1.539269987 2.638441645 2.26540182 1.637008593 2.044134996 0.159013461 2.075034057 0.009766916 5.570667852 0.405695178 4.392799412 5.759644564 0 4.130218911 2.935428515 2.860754565 1.777927898 1.905814606 1.673364287 2.081200268 2.0740435 0 3.175600967 2.911850824 0.399328058 2.62228539 2.634924549 1.014235881 0 1.18350668 0.036353917 0.028041957 5.376373883 3.289371624 1.378670383 0 0.601915859 0.146712612 0 1.138794402 2.305267212 0.944231364 1.176128295 6.55128203 0.062938987 0.059223264 5.061433929 9.866535079 0.513758997 2.601027846 1.682460412 1.194927809 0 10.15895913 2.452370788 1.092769637 1.08897903 3.256591759 3.674264296 2.912700338 4.105513407 0 2.150405216 1.455312358 1.72985115 0.714479741 0 1.469466994 4.842243759 2.716808008 1.079699725 1.13066768 2.350118531 0.568679835 0.388919275 2.800721151 2.682696306 2.127152081 1.557194171 0.727735044 0.276003787 7.372406469 0.507924011 1.330554278 1.284613769 6.338657761 0.976990115 2.647376457 1.711143915 Nicotinic acid mononucleotide 8.829303904 3.155393705 6.823332208 8.071746077 8.362873427 5.152557347 4.804351171 2.12668456 2.854646244 4.965873642 5.132825564 3.917488607 4.573887956 4.847363059 4.923009404 4.161119349 4.869113773 9.886565299 7.993338846 6.039816107 6.842987722 3.171404107 3.994430005 4.367921373 11.1458618 11.39902064 2.540756435 5.517467302 3.012013173 5.112240514 6.204886138 5.02479569 3.713412763 1.066201005 2.627626593 8.426239349 4.94041642 8.758291687 8.160379958 5.127202087 7.131175087 3.057745844 5.966266808 4.21288508 5.498037266 2.540525169 4.812835793 3.417919714 9.999373818 6.77135837 3.68714671 4.957007818 3.834627158 6.811480138 4.403064167 4.766081165 7.603043675 4.388267698 2.933302014 6.236049205 3.168455771 4.534084491 3.461799199 3.396755396 2.392555267 3.246161634 2.966293162 4.532521354 2.864495954 2.426216215 4.537529918 2.056602535 5.043751303 7.534502595 2.623193846 7.0169243 6.556155926 5.839765157 6.261013402 2.439943052 3.870793558 3.279775283 2.548773507 0.709267985 6.216333639 3.678808146 5.680933499 2.279772357 6.147565926 4.646921633 6.823728204 5.237038247 5.175761782 3.576346449 4.075509603 4.658034358 2.984129516 4.71559309 7.058299834 2.084304989 5.24251668 4.183375484 3.17892143 6.467033645 3.736781484 4.28713194 3.524142625 8.870948397 3.787071833 5.399681153 4.938273058 4.226973916 5.734495111 2.09506997 5.123357584 4.813088126 6.185329472 9.121495126 6.852356973 6.99237088 0.950544214 3.975330253 5.539202567 3.244020144 2.686231514 3.528094688 9.692021008 4.503654325 3.846489443 2.907056003 5.19745866 7.463731025 5.384765723 3.750695609 Indoxyl sulfate 39.67732297 34.52222879 74.25058399 44.18646635 30.47506718 42.66397653 33.78183439 38.11250173 32.85487263 38.24763779 36.20788867 29.05774456 41.54467237 82.97610605 41.4139155 47.50192437 32.13502019 37.09455954 61.45546669 38.38024731 38.96025661 18.78821993 54.40843731 47.54802775 50.47668549 250.1190054 10.25419015 40.34397717 42.89878891 55.85964541 40.27657222 27.1225545 32.39079049 9.342292669 36.24509736 57.53719217 21.64579558 11.03684187 18.62157894 27.16975483 81.56183477 37.60975342 17.44021506 30.27361268 69.02244117 5.353414312 10.65609931 27.81115774 55.84458137 114.4964576 75.92871316 68.06430712 37.13260581 29.60910997 39.29510748 109.0843383 42.16323728 53.34072218 83.3066906 20.11392722 39.53122015 44.96709882 32.72371622 54.56717914 83.86547525 76.83549604 28.33183581 21.72682039 11.27414447 14.55504757 24.89325001 27.15527489 25.08330511 42.75036206 42.97073173 12.38088103 23.53686023 132.2455269 86.3008816 23.33132152 23.59194131 21.14988082 49.44497361 13.25813015 30.01582982 33.01773831 42.33500863 22.72234634 48.30053058 49.59677439 42.26557067 57.80333296 56.91211884 10.89790777 102.8310385 89.63643096 26.26878418 70.12663299 38.14479978 84.53017635 20.96035675 71.00444962 22.16464979 24.61731198 15.96155667 35.8078044 55.09812955 47.90541728 43.75138542 11.35013777 37.83293488 56.03316584 27.58733563 34.42540859 101.5099803 32.40416741 67.3809682 61.43343211 26.87193437 43.39646461 37.1514549 35.71982226 52.16816861 25.55750769 64.09187951 51.16988807 58.06267776 10.89094566 21.77324842 34.35373602 61.3410706 108.6497612 15.81672009 25.6023048 Acetylglycine 3.117142345 13.11418264 4.123468362 4.312256276 9.848325495 5.120009296 7.901486544 6.441236529 6.382116222 3.691807198 3.06707869 17.7903919 6.174031025 11.61548774 12.73349139 1.211878984 1.455932647 2.139543065 6.196824422 4.896900934 2.888861343 4.348354892 6.412417181 4.045714464 3.02399141 3.422911204 9.231369104 0.840382665 4.337430231 7.572626041 3.204543093 4.055683722 4.986002309 5.387757192 4.086160639 6.949520074 5.605780649 3.695299652 13.28505011 2.825631898 2.538779627 4.249222317 11.24446537 8.427702265 9.614768278 2.014330476 8.803044785 4.241174938 2.769479751 4.091167465 6.266795747 7.025442766 7.893564132 3.508458606 4.556043165 6.981617077 5.534728319 7.377955449 6.242562481 10.48137258 8.133047906 5.93780453 6.677801967 7.674487839 5.17051225 3.610389783 4.764467003 9.911044758 1.849261233 4.582390379 4.558934778 3.899880142 0.951530239 4.546545976 4.647651526 6.11022689 3.013663612 10.31813328 2.448449206 3.722420999 6.875316188 3.941221178 4.635970671 5.513148937 9.665051557 7.245322881 0.595002275 2.875812602 8.368788095 1.041995014 4.511818219 4.196369258 6.459259139 2.365654186 3.437027162 9.396323118 4.456250684 7.115179752 16.09905673 5.802883264 0.716951816 7.647111101 6.160195192 2.070106587 2.793608634 3.183003948 6.789442652 5.24084092 2.809287502 4.366670352 1.138239589 3.690624941 1.734165892 5.856732306 3.285711497 4.495356432 2.424006272 6.807063666 2.284805027 3.884091944 6.558660113 5.05026648 0.584452253 19.64722053 2.215111076 1.186004337 7.497317248 4.777934425 3.208895654 5.001080458 3.449807866 3.548185433 4.783794703 7.279957776 3,3',4'5-Tetrahydroxystilbene 1.233512557 3.257579843 3.009246873 1.45338441 3.282889293 0.361787062 2.448095601 2.801311412 3.071668675 0.944853729 1.609632259 1.526785474 2.578110936 1.769114559 1.599074655 3.275256149 1.384694089 0.050783647 1.517758827 1.168154728 1.774143903 0.962864958 0.719920353 0.213910371 2.064356885 1.04431208 2.968882893 1.560121616 0.027220885 3.209620556 1.705209076 1.842934671 2.360271779 1.395277712 2.56519327 3.096015193 1.593381165 2.285182201 3.20726369 1.817813943 3.565774093 2.034186715 2.493156015 2.289512923 2.877452112 1.628241104 2.672468935 0.875168942 4.230380905 3.032615889 0.328350357 2.686021752 2.438035229 2.894810286 2.445760201 2.932910581 1.24581556 2.76732962 2.002634974 3.462357698 2.897021467 3.18103529 3.105213693 1.538254479 1.793320605 0.641873347 3.923738363 1.596432785 1.581223064 1.730807729 2.263642223 2.266080978 2.541018779 1.025813203 2.110649399 4.166258941 1.994292275 1.364710502 1.681679544 1.127931942 2.798501018 0.905670994 3.266379683 2.063429572 3.520156682 2.539207479 0.400305727 1.654205743 3.086471854 1.557535504 2.503937881 2.815675577 2.812427393 1.617384922 1.284426506 0.778895874 0.688748216 0.945434851 3.496619014 1.448175209 2.446313044 1.935466717 2.373989018 2.415087875 2.691492965 3.035774851 2.192666097 2.257473806 1.479396735 2.804307895 0.45058527 1.940430022 1.653265465 2.240110525 1.901134104 2.077406214 1.097489946 0.898843294 3.20786375 2.567856793 2.747484926 2.90180953 1.300469555 0.24089349 1.498991175 2.697265263 2.639786993 1.815905466 2.408695898 1.994721426 1.070743214 2.380646202 0.624843822 0.497343271 Isovalerylsarcosine 11.27644711 13.62648504 6.218280308 11.19447461 8.433207618 10.05486539 7.645869398 6.137871663 8.157197598 10.67745735 11.1322992 18.76916982 9.167424681 8.576010318 9.646612724 0.662564181 3.318008147 7.856619181 9.162805232 8.624020493 13.42899268 16.08091891 15.11664911 9.191554491 13.49456791 7.167153301 6.381098629 2.212355914 11.57502928 4.81009327 10.26458167 14.2617956 7.648792649 7.928471184 10.02300057 6.858039613 14.47653426 17.41114122 9.096156967 13.03239585 17.34342571 9.689714342 8.991148226 6.479044883 8.367750276 13.93725655 8.185819375 7.674704036 7.755213586 8.467881455 10.06411058 11.36653836 8.772537877 13.19039425 8.410634545 6.873519839 9.054486565 10.81805653 9.098589917 13.79781394 9.489129074 11.24558217 11.21385977 6.491901434 6.461823527 6.872650204 10.87934903 7.247970669 9.659992124 6.059244287 13.17825789 13.5603832 1.369232932 10.39321924 12.07858768 12.03931517 13.31187239 9.606018046 4.762743991 8.955481012 6.556801458 7.915693013 17.33528385 7.486087036 12.6903004 12.23153123 1.905131339 4.64091387 13.01951663 0.506495101 6.607209478 12.75742541 11.86851558 11.17529358 8.105143562 19.04015545 12.08843948 11.48458788 14.54012589 6.627120789 0.766114828 9.693151089 9.611852352 0.822876273 4.92424515 4.753630492 4.597042449 7.187459983 6.637635912 4.706452359 1.158520386 5.579156929 8.753090566 14.73912947 14.03425265 8.194182649 15.60618618 9.111173135 10.31687208 5.557429756 19.45538882 24.56822307 2.482697264 10.07493237 3.577588596 1.831789852 9.672095759 6.249225151 10.09690746 8.521723398 13.37768837 6.490669455 4.18597226 8.139922654 Leucinic acid 6.944367709 7.203738227 6.683631966 6.585544933 6.577519283 4.029162278 5.702635541 5.533609851 6.303181323 5.950731713 8.663450713 3.945115087 5.912390203 5.295322674 5.668073247 4.22702031 3.638262689 6.545578296 5.364553748 5.275375524 6.618980346 5.12596815 6.559856773 5.711694354 5.760342403 7.748811029 6.933182874 5.468086112 5.09974057 4.183706851 9.229265875 5.433420895 4.799743425 3.120471681 4.373635111 4.951433841 5.074971529 6.842637901 5.78256083 6.246802781 8.00728972 4.981981549 5.134134132 5.096869894 5.661576613 5.971275598 5.982337741 4.303444073 6.883503898 5.68358582 5.441400507 5.978678391 6.846396388 6.150754345 4.843482664 5.684760895 5.99133947 6.723390061 4.945709562 4.98616565 5.682409089 4.665790756 4.960816824 4.53974573 6.025667388 4.242267128 5.671266735 6.322469709 4.303447306 3.599660128 7.24494407 4.207187248 4.608287838 6.485393995 5.012552449 5.608701528 4.638957458 6.98929633 7.796376058 6.281860116 4.220649609 3.966903273 5.829661955 5.043969255 6.988084777 4.494579421 3.809446046 5.767664839 5.406785849 5.603432737 7.922330613 10.2369637 5.347737932 6.367699911 5.185634313 7.689704261 4.288114126 6.471476052 9.09983623 3.08196065 5.728466906 6.82959734 3.776805006 5.637688643 5.136413705 5.274572377 4.752527981 8.966731772 4.638779643 3.588131905 5.583700256 5.101991453 6.394736621 6.167757931 5.462068648 3.983701945 9.108353815 6.594975754 4.415918316 5.847380331 4.637349939 7.712584437 8.978424344 3.901522568 5.633009832 3.80225784 4.232236013 4.828218016 6.305369945 6.552115793 4.037298028 5.295063525 4.688128143 5.030166824 D-Glucuronic acid 5.18180203 4.246393509 2.962121503 2.100940274 2.403752998 3.172121107 2.616501711 3.808654134 3.493159161 3.072018784 3.324528173 3.467058034 1.698441856 4.525598722 3.62545182 4.843457678 1.255969777 4.966570893 4.229798858 12.97076962 4.7793399 1.324816077 2.65027043 4.78494806 3.449208516 13.89182542 3.554890177 1.889010853 4.138645877 5.618779375 3.169707633 4.354719005 3.634533586 4.372336074 4.096441118 3.80660973 4.033221999 4.088613046 5.730207654 3.182408419 3.727210166 2.806029366 3.154503247 3.852452882 6.787663501 2.910240234 3.990260734 2.720636353 6.593451964 4.361935507 5.451284039 5.279539093 6.489539569 3.644865404 2.910419144 3.975371037 15.40930199 2.917481609 3.415000899 4.19116231 3.65605276 3.92493352 3.983931132 5.049766983 2.483502765 2.318586239 3.942453583 6.106223558 3.464678115 4.716159307 3.644821297 3.675813421 2.385779196 5.293807508 3.977306375 5.998426194 4.069079903 7.376654808 2.879633573 3.571945858 4.780381528 7.351065482 3.940517136 4.568141329 6.229535701 4.180632308 2.863601744 3.239521425 7.305760509 2.36519158 4.81122926 4.271258018 6.925433435 4.92614009 3.98013447 5.342507149 3.718621199 3.805471717 5.705517698 5.406956397 4.485563628 5.65525333 6.019177519 4.031310016 3.812392363 5.158978679 3.896380032 5.546583947 3.478443015 5.384918426 4.137196129 6.199272796 4.367561773 6.917886651 3.299202466 4.222742295 4.603418032 5.768263625 2.843930206 3.603809721 3.303097328 5.041085041 5.227228754 7.87131968 3.758630145 4.300185497 5.067105343 4.503513592 3.462852489 3.613845071 4.289571443 3.564669108 3.338443972 4.87479951 Hypoxanthine 0.206076729 7.671934346 23.37990441 1.082934148 48.0580392 0.411608114 31.5153286 43.85481339 37.549428 0.529243703 0.273122342 2.184806966 1.930955091 2.177777244 1.403168057 1.834985523 1.753717424 0.241009665 1.418339413 5.034181154 1.534283588 1.107817284 1.298558885 4.27460603 2.026837859 2.195418967 53.48134754 0.291130714 2.434951704 7.788051765 0.292843684 6.52546079 7.634917393 3.807434114 6.53668443 9.477868598 4.192502408 5.941897722 19.20033592 6.99775461 8.912406084 11.64753127 5.512276143 10.41871825 14.17332859 3.495045574 8.498614695 5.837328367 9.038893696 8.924794967 3.995839521 19.10789409 7.980275622 10.93912654 7.66372465 9.282983115 6.829388076 5.751429226 6.476847312 8.532331966 10.84038832 16.50449418 7.189082365 5.333569969 7.835651527 4.005374552 10.10655944 5.204014085 5.658823271 3.130111485 10.28939605 7.719934942 8.352894245 6.623576041 7.678767805 19.63642882 5.206367861 7.447895458 7.164957523 4.459108589 8.019740861 6.588288121 5.809191238 10.33864374 7.682199784 6.785395974 3.454083169 7.150792083 14.09641794 6.233084566 4.583846299 7.182063604 6.756175388 4.014265368 5.412198741 6.159356799 7.775255903 5.419701317 8.895037817 6.555698302 11.15288719 9.035675353 4.269302325 9.650419588 10.52783107 11.72388706 7.645044636 22.46975089 4.122967974 6.031014948 6.531436087 9.945410259 11.30562596 11.3318758 7.252249141 7.726181033 9.695672657 5.869026854 8.268141381 9.637522447 6.31049193 8.762999432 5.254753183 4.137201152 6.480105663 9.501809659 4.69232155 9.041961924 6.648133773 1.440683919 7.807014784 7.730089427 4.298388733 3.480669871 4-hydroxy-proline 8.952764313 7.507091812 6.531797577 3.722567935 6.385330872 7.57141295 5.333391595 5.219323297 4.643031959 6.248771726 4.040185621 7.599480614 4.434296477 2.876431142 7.312443533 4.639041365 2.551202767 9.77602774 6.843358194 5.500145965 7.043198987 6.377178546 8.17788888 3.129049758 6.361132984 2.445745707 6.406409027 2.99086424 4.187406059 4.174884428 4.275238435 12.95973643 4.377673821 4.077940499 7.454159607 8.979434681 6.808617586 6.104313676 6.841670711 4.709733742 12.70386516 3.173220332 8.122468855 3.892220786 6.790760464 4.690818169 3.513292765 6.528889172 4.262086532 8.892254261 5.319671215 6.475903075 6.843606214 5.234701328 5.861528727 8.851680893 6.557464815 3.764264177 8.215790714 8.550998453 7.45846886 3.198696626 14.94251475 4.873539478 4.725051817 4.52071807 4.770983189 4.053371368 12.13898691 6.146445138 3.888784576 7.277004604 5.876330585 4.053376436 3.031763696 5.894756893 6.714636334 9.222822944 6.015964933 3.614690197 4.392063656 7.046088855 8.875039431 5.274891816 13.73882076 6.973231253 8.526481406 7.256251558 6.846533549 5.904827887 9.914261242 7.183691998 8.00988597 3.711439116 8.084209701 8.143742062 3.037064449 5.799707572 7.136598162 4.511474184 6.81951355 9.586086929 6.309781047 3.628481712 5.716544533 6.714810747 6.240812367 4.59111426 6.303322655 6.281070248 4.939981951 5.775014617 6.136495205 7.383850932 8.039198958 3.190862586 4.628836046 6.73164151 6.44619225 3.626024109 4.279628794 6.934312884 3.156608651 3.659495452 3.536880933 6.776638751 5.320319097 5.16615071 7.93033926 3.983859404 5.863882532 8.567329881 3.691664915 8.232350778 dUMP 10.50518966 15.05164824 15.95728087 9.445707768 13.0306805 12.78408182 15.09748118 33.5043458 17.80046819 8.076033491 9.867405302 9.301607722 14.12002349 16.68087352 9.501549495 13.02136631 9.821786054 11.96514361 8.503868653 17.90882003 10.10648592 16.85724682 13.37837956 14.71918491 7.225054296 8.497359998 26.72388088 15.02663651 15.60796777 9.823915534 7.742106778 14.67137082 12.28627399 9.258550596 18.94407509 10.74799684 11.70672819 11.41469675 14.48571532 7.184589183 11.0207124 12.09650959 8.192511326 12.09752847 14.31990666 21.27846137 15.5559041 16.50800569 9.324212166 10.31899019 20.55085026 15.33722959 15.40443967 10.66734447 7.979161551 11.32570244 9.568429794 8.743949649 11.65531046 10.19798559 14.81555406 14.04107705 17.99629335 14.25068704 15.79947256 11.76489053 14.25540523 13.36435967 16.50533255 10.43424325 17.90236253 13.74934658 15.243528 7.100264696 11.88767137 14.59023864 8.050503371 10.85972302 12.01522827 10.04111207 13.30349595 11.99593312 13.04269589 20.58420993 16.65284179 9.79779291 9.161116313 19.91649859 18.21564266 11.50813911 9.459168868 14.0153326 8.951519577 8.940627245 18.3631523 11.04847927 17.1844227 9.512548061 13.6104731 17.7931273 25.09486823 18.31589397 11.56214715 17.09531388 12.88964964 16.56670456 10.70303397 12.55373315 10.33982241 13.10395551 14.85189472 14.6134658 16.745827 24.66817833 11.92672089 10.99389017 9.721633469 13.08104858 10.08461921 11.89633815 13.69898607 13.77330022 16.66111648 11.59933258 16.21813821 14.70147928 10.3319077 11.37283862 11.49308563 11.98900489 13.01454385 11.0856838 10.77793213 8.469823705 Thiamine 2.576492553 1.381503443 0.884319402 0.360471713 0.471618301 1.236635456 0.422457558 1.767539786 2.002227119 1.076802847 0.260487655 1.144718022 1.980264067 1.018694721 2.824523028 1.151571422 2.081799538 2.461422855 2.101712108 2.578919895 6.191324306 0.264470966 0.741176498 2.470376253 2.736851574 9.066181167 0.737321882 0.717714279 1.01312747 5.217555081 0.356661859 0.372238416 1.787337178 0.709079093 0.72212921 1.450665878 0.425635369 0.37152521 0.903602028 0.777622643 2.424701243 3.725425478 1.285537414 1.676995587 4.276596631 0.203163315 0.359821238 0.755955405 2.590882815 2.5854404 0.806141695 1.685389484 1.476866692 0.89247199 1.84635175 2.902084733 4.041731609 1.447259905 2.384109853 0.447647071 1.556128205 2.242956964 0.929565135 0.902865234 3.227632972 3.380264435 1.061914806 2.067424906 0.404453282 1.381197267 0.277873968 1.583865548 1.713229003 4.445400179 1.186385172 0.711879461 2.790900417 4.362633968 2.976540607 2.959858866 3.339388279 0.348579556 1.865530326 1.953647433 0.426295888 0.764455162 2.322579102 1.4402213 1.891082847 1.487427712 0.517770183 1.304130766 1.692854859 0.536310302 4.559900644 2.939699112 1.590507011 2.094070804 1.310824772 3.285460606 0.664791399 2.687469302 1.166167138 0.55150979 0.658803863 0.751927516 3.255074634 10.2728507 1.23162781 0.329497804 1.801322468 2.819422267 0.918029041 1.965975777 2.612931599 3.337378949 2.919508682 1.942091905 0.704398247 1.770302346 1.299199569 1.042111446 0.793684908 2.472839099 1.577418521 1.067985168 0.668902743 0.745948146 1.664250152 0.614750947 1.036869049 2.398885729 2.991913739 4.230986405 p-Cresol 2.708148576 6.382517464 16.77376111 0.826611793 0.798881352 3.278636371 5.994565143 29.98752635 32.36135593 15.23115753 0.279628591 11.43054613 9.515672313 11.83380242 7.107393191 9.409936504 4.927997063 1.977808784 9.251391659 10.99799409 2.060322739 0.877986751 18.92767306 13.37291207 4.247866009 20.35080863 2.405498343 6.919607789 15.81067491 50.66197489 0.304878496 6.242170719 8.290526761 1.900666302 3.821341079 9.695392893 0.765745009 1.414942848 8.702073766 7.749116247 18.09660276 14.2625647 10.34902637 11.62791406 19.62274858 0.838814847 4.056713317 4.155934664 18.24670977 4.742772569 4.48741473 19.02312923 12.8201314 10.32711237 19.08302739 7.672449621 17.92491621 12.5735691 25.23129014 1.312828695 4.754985423 11.41412153 2.672536707 9.295785141 29.04398855 18.58808055 7.72405275 14.36534353 0.62314094 9.199753174 2.04420047 9.180923589 6.374117176 20.53164042 3.041415611 1.689127901 14.98412171 26.5122063 35.82851665 27.37264456 25.43015313 6.203714359 24.86681098 14.34950667 3.788958098 2.376128677 12.7220188 8.056646681 10.48778919 9.063898868 4.653577231 15.02407836 13.04575063 2.250671856 15.58336367 11.80355468 14.03364367 13.55752395 6.842239582 14.70472692 2.427674061 7.913951286 9.442859738 1.066272957 3.385003096 9.94134306 16.43391375 25.52857891 7.601617589 2.417237439 6.591336031 14.52635625 6.422455345 7.641214972 11.79286412 30.31537739 22.29485438 4.802599363 5.819853005 2.940054211 0.408584832 4.419741552 5.641928058 6.001942017 21.67798766 6.13947215 7.062120789 1.108124024 18.13025017 2.102658085 11.70899457 9.37486005 14.05515323 28.67523778 Hydrogen sulfite 0.749710324 1.825191078 4.464036751 0.176003572 0.20997372 0.909851055 1.670722771 8.056313153 8.610158397 4.973320505 0.053999921 3.681442002 3.300451805 3.859764311 2.151769088 3.086719936 1.548768027 0.520719188 2.45222068 3.060464355 0.534778777 0.179862902 4.883112347 3.55318478 1.124834956 5.476190612 0.611090673 2.041321799 4.215877047 13.32456672 0.046910065 1.654300359 2.423816572 0.533103088 1.297152219 2.852836333 0.176995338 0.368287345 2.640326391 2.074502145 5.039622251 4.749865247 2.902540697 3.248233178 5.53353693 0.240108497 1.364309855 1.326433477 4.97498613 1.326550992 1.439747684 5.139357171 3.702393539 2.757039731 5.196807712 2.13945196 4.875892791 3.494609528 6.677624286 0.387392674 1.490666028 3.180038308 0.944443541 3.061145581 9.487089648 6.275768091 2.453860008 3.961776101 0.206395462 2.412319611 0.567685387 2.555404726 1.890656834 5.350441055 0.826943978 0.454000928 3.944469853 7.36930016 9.464368256 7.485801051 8.402219443 1.772146621 6.642480058 4.743706843 1.185842344 0.748792498 4.085641392 2.335821184 2.956103464 2.838889874 1.284321766 4.224132131 3.468117287 0.737395849 4.916605794 3.30913541 4.051947821 3.623451918 1.985170793 4.829704991 0.763985551 2.70005682 3.179061805 0.37471269 1.040194385 3.086830635 4.967051977 7.27040554 2.157181674 0.852128698 1.955769559 3.993585907 1.705636377 2.089003662 3.046778234 8.032278843 6.023019762 1.32193649 1.499492196 0.819002185 0.080820504 1.242240079 1.854203114 1.839787762 5.909171808 1.977356214 2.070071666 0.294256806 5.058240328 0.556277131 3.741115603 3.013992861 3.919509228 7.86851359 Hippuric acid 5.806434665 11.60486091 82.60611991 32.86762218 8.439030283 2.323776896 23.16462737 8.43484566 7.328098221 6.834104957 20.33228049 15.36175654 4.640990308 133.2270459 2.220463108 74.56584145 3.262769182 5.829947278 57.53748996 2.644943085 8.587078692 15.69926411 4.802167986 3.810200647 27.96848927 21.84457564 10.25447595 4.128788588 3.820266364 11.46020348 22.23278134 2.983612308 26.12071027 17.73932236 4.04377137 12.9131553 3.726375646 6.491774041 6.681189477 3.204131187 7.866920109 29.3287122 3.222890799 10.41834336 50.3678452 8.109735894 6.622073433 19.48344628 2.316027007 1.398864759 27.12087375 14.5958329 28.52692135 4.901301305 14.92346341 40.09503388 7.783287736 18.97984196 9.894781307 6.324620517 10.8501388 11.56164331 8.036602814 60.21030255 0.594453907 32.78564945 9.482779882 67.03598534 3.616664453 163.2657815 1.829420088 20.82783992 10.95615468 3.867206022 12.18462315 16.45194921 97.48304022 10.20125157 1.404727038 16.00387152 6.862962582 9.553806598 33.61449034 18.89900714 12.25715492 21.30382966 12.10105446 24.98237186 13.8298535 4.049248756 11.58396719 23.60524771 180.1529499 79.54702693 88.32548206 31.41499764 6.638134566 7.180159243 10.4245586 33.25557046 18.00560197 44.17284003 2.119000082 2.680470612 22.13104777 17.34447558 8.578204364 64.66473147 4.365998105 31.02227531 127.524651 22.63823973 2.958026208 10.28523615 13.18445516 27.0470646 17.29166877 22.86279798 5.485430732 8.204216952 13.74174781 59.85496639 31.53816324 63.51829143 8.886035252 13.67727683 27.1575209 80.32206678 5.927650967 3.160412316 76.17850238 6.17459012 43.57487296 14.98550687 3-Furoic acid 2.394014615 1.096405675 1.641586806 1.414821721 0.996672444 1.202558775 1.014433495 1.528554774 1.297275077 1.713424401 0.771545185 1.389724447 1.480688223 0.992172816 1.177321562 0.979959917 1.470560035 2.018035612 1.499502299 2.034435015 2.188088154 0.745705879 1.773297632 0.960078724 1.264791513 1.168497261 1.67713945 24.6513141 1.54740812 1.496551139 0.927532227 1.69600719 2.33652073 0.962543721 1.564829218 1.426163846 2.261605201 2.598958904 2.67457146 0.985176803 1.501148706 0.6905131 1.975053605 1.63630228 1.600559853 1.502165524 1.50834413 1.562443827 2.499492462 1.871636891 1.780867994 1.718753062 2.781231893 1.679255644 0.780761481 1.903532948 2.046287241 1.812991541 1.425274244 1.665259268 1.917448917 2.364809683 0.941913288 2.372890789 1.628927956 1.152744414 1.865078426 2.141422479 1.29189688 1.634636116 1.759545573 2.758927686 0.699689867 2.011281289 1.557861819 1.545118555 2.281257495 2.070933341 1.6493499 2.328474958 1.582416402 1.720328435 1.322849796 2.361484217 2.240690595 1.180484594 1.238559897 2.102676034 2.256677628 0.948857654 1.609850294 0.734918006 1.843440537 1.543245677 1.589715047 2.405275368 1.411555154 2.29767379 3.284692266 2.074712991 2.093712635 1.553957211 1.712156575 1.36814259 0.931221513 1.698417859 2.323221943 1.993354022 2.317900584 1.747587422 1.646124667 2.84036113 1.258501701 2.458230957 3.181000348 2.728346411 2.406178957 2.546067382 1.519117108 1.089322037 3.616936333 1.716681874 2.699232824 1.799610443 1.848919718 1.556642313 2.129998995 2.396569672 2.511765063 2.421538568 2.016843814 1.2710081 2.768105896 2.301280988 2-Phenylacetamide 0.496090434 0.888748585 5.620027267 2.18465936 0.6000146 0.226726604 1.640935656 0.652050967 0.596352 0.532057196 1.445173419 1.105102359 0.368245628 8.72087576 0.182689565 4.853344305 0.23880842 0.457227421 3.893675048 0.186821431 0.59696408 1.000155642 0.333040982 0.308869259 1.950425138 1.550111305 0.716326046 0.337059206 0.226480184 0.830206696 1.594646872 0.204972175 1.991775156 1.192073085 0.368265493 0.887686667 0.258715948 0.456290337 0.605915524 0.266440684 0.591741351 2.000338944 0.291574851 0.80621761 3.412793402 0.614843829 0.538998307 1.443612757 0.206831358 0.061811203 1.91539737 1.044535829 3.392434244 0.34724887 1.08791996 2.739952638 0.606148635 1.346612979 0.786076891 0.532444772 0.832091616 0.914245198 0.585470835 4.196685405 0.10778763 2.218882304 0.717994545 4.526886078 0.232076798 10.5178768 0.143891447 1.304626445 0.707565105 0.291019557 0.888817729 1.195837036 6.384003342 0.678802636 0.125036731 1.130444238 0.467428391 1.239034875 2.400051182 1.26857885 0.891215336 1.609500051 0.887385395 1.773224987 1.002686453 0.356792326 0.869647845 1.640036053 11.80982874 5.278037984 5.658234018 2.332316049 0.558572145 0.556776409 0.849609868 2.35208573 1.34740337 3.053534012 0.229582021 0.247605341 1.647922483 1.208228386 0.639644111 4.501355906 0.32923604 2.295039013 7.804587004 1.966181284 0.239886781 0.818415342 1.013009754 1.751161367 1.232455251 1.634531182 0.404831397 0.62301702 0.96680718 3.879581366 2.167708692 4.418240551 0.705741422 0.974686428 1.900658306 5.359316793 0.461620725 0.270704909 5.219882346 0.456392227 3.140282123 1.016146532 Carnitine 81.20210975 107.9575466 131.8579288 88.45928404 89.43863266 88.71748494 88.83490549 65.26164669 44.48517665 99.95291712 95.14409651 118.8235592 65.84849237 111.9065045 100.0043324 93.81620468 68.28016286 81.27440462 99.02462007 92.01762856 60.40137591 89.12402752 78.11510789 77.27959772 79.22210263 98.22539088 70.40409279 110.3232 32.2909219 78.07966683 83.26203425 144.5695125 177.9603801 243.7609095 207.015077 244.0704666 108.1271718 208.0018004 228.2054295 138.1864874 141.2455959 227.8413871 167.6471115 136.4855496 185.9214426 255.7195867 211.3478231 269.3616015 202.3037605 241.4448153 169.8177314 146.7843078 179.750474 182.6942367 122.0048095 194.180581 204.897805 180.9882709 134.5864437 220.489875 143.8426279 142.0704687 252.6882533 212.9969889 234.0488391 255.2203125 221.5150029 200.7965752 86.07327542 170.9389237 193.6383858 188.2716873 211.1694101 167.6847489 155.4176175 179.6874469 180.3354166 177.0312152 336.4816835 128.2564995 200.9719779 145.9114061 163.0669477 203.6531152 159.499221 222.6206035 212.4887173 299.4385019 236.7758667 261.0876201 198.2845635 236.2130332 246.9521603 112.9120811 181.1465905 210.5949246 162.1379983 175.0118892 282.4864976 191.8212456 200.6891 214.8583576 272.2842779 228.6487327 149.8174737 176.1142833 220.2131505 161.1776774 149.4030958 263.9255228 180.123648 182.9876981 206.8351553 189.8305437 181.131404 190.4706661 160.8887642 209.6035703 144.4313687 219.0886474 186.5904374 179.3552932 173.2066868 148.4127163 275.4549148 167.0299249 216.6835568 180.7140156 221.1920051 159.3674772 150.6910988 250.5516411 150.6605865 186.9025293 Hexanoylcarnitine 0.644572861 0.673973974 0.573868715 1.182258152 0.68096451 0.99474539 0.535562886 0.804920603 0.661742681 0.402548519 0.304858713 0.462386383 0.57297151 0.451995503 0.383191697 0.155578189 0.306542869 0.611898689 0.397571173 1.490243938 0.671662238 0.243985875 0.586982905 0.455170555 0.593522587 0.872595016 1.703803809 0.914883883 0.064049722 0.576407042 0.323670246 0.576829679 1.647289749 2.309124656 1.58074287 3.32628134 0.668100002 0.851028811 3.180551106 1.820885049 0.898810604 1.04110191 1.496934879 1.136462717 0.874599636 0.854025284 1.257787269 1.182140007 3.320828675 1.251999412 0.400967849 0.881111193 0.636117781 1.502815923 0.57127161 1.962705718 4.083917995 1.364876792 0.871525062 3.230916621 1.010565097 1.648984768 1.254165906 0.771809349 1.342272772 1.570221836 2.089008626 2.366127455 0.482189821 0.723859734 1.859629413 1.515017399 1.315079639 2.386196976 1.185530012 0.605879506 0.806706835 1.615788522 2.671487176 1.012974866 2.703356525 1.031992706 1.01382806 1.116771245 0.69300531 1.833464173 0.902451047 1.436274863 0.819007003 2.043003803 2.026565107 0.782493617 1.302213841 0.463925415 0.899577426 1.864877883 3.356701615 0.960678794 2.187115929 1.097889133 1.047936915 2.048706019 7.300197173 1.863198519 0.789166418 1.002662916 2.114164809 1.762539698 0.748973441 1.393048254 0.897324039 1.113565139 1.177845609 0.586006496 0.705078617 1.224500596 1.62317797 1.722800227 1.033958539 3.151980772 2.479140028 1.617487488 0.700518848 0.502816995 0.959615787 1.174133744 2.471077596 4.404716992 5.260138036 1.79635895 0.55220665 1.725153514 2.324212657 1.531720928 Decanoylcarnitine 3.55102788 5.731463833 2.75555952 6.882966382 4.300071137 5.811876844 2.774550877 3.108185229 2.452860029 2.12332701 1.478317315 2.521814549 2.386703678 2.99168728 1.19947557 0.6787466 1.314191968 3.187298822 2.957861209 2.753936893 5.88413346 1.351604401 2.659885831 3.263475398 2.921008107 6.871851596 5.264765683 5.02172921 0.463196456 2.941021449 1.580178732 1.103386766 13.25794782 18.05652563 10.25585776 27.04120945 3.662919995 3.269751832 25.88191094 15.16770282 4.965698306 7.583177854 9.174456685 7.173881588 4.163965218 3.787428929 14.25182516 4.525301151 28.76050965 7.453991765 1.162763305 6.793534626 2.46177218 8.426571266 3.685002927 15.46863882 20.89184258 13.97577833 6.19441908 20.88958256 3.910175953 13.24816032 4.120388952 1.960865357 10.03796902 15.14784111 20.953594 19.86617185 1.939010963 5.949888964 17.29285814 8.911225012 5.733141106 31.3034504 7.981135331 3.30511384 2.746228355 12.29482205 16.79920516 16.17350738 30.25643765 2.827374171 2.9881499 10.77517688 1.509802704 9.409832883 5.191283965 8.433305195 3.150926316 9.271666078 17.48012498 4.9218733 4.789290049 1.756889912 5.197342023 11.85904174 33.88029416 4.629307194 13.47178021 6.995226246 5.226452695 14.31038219 59.32678815 8.810949579 3.94635472 7.547789106 13.58297836 10.12872006 3.472520229 6.769532068 4.680854215 6.997252858 8.048317304 3.44186261 1.869309594 7.826574692 12.10120844 9.571346956 4.442920284 19.54212148 22.23975963 5.828752813 4.432117893 2.469180763 4.512963295 6.958235369 23.98960478 28.49870324 46.92366405 14.17318499 2.225157997 12.22677032 17.60855782 10.06728616 Octanoylcarnitine 2.023119013 1.921457234 1.297220702 3.977296344 2.542553529 2.986765969 1.53786349 2.100950505 1.602980684 1.22572016 0.769459979 1.145306013 1.297981524 1.207801004 0.675288455 0.419974083 0.811388675 1.823716299 1.463195357 1.360188242 2.730543115 0.554132026 1.312153041 1.552164183 1.382093882 3.622895484 3.067677936 2.542152818 0.239348201 1.878608922 0.758299521 1.034199798 6.754930832 9.264085947 6.641452745 13.12345419 2.236221886 2.222864647 13.67533586 8.859885639 2.671439326 3.560735055 4.727217552 3.947853408 2.726155083 2.188432945 6.49947663 2.846857208 13.31960782 3.862088289 0.802466924 3.405507851 0.889717851 4.220470146 3.584348577 7.653410341 10.39788324 6.54180652 3.832125876 9.724027081 2.881664483 6.902783797 2.342836367 1.071527731 5.353576003 7.552736296 11.68021577 9.981780324 1.236185182 2.895494883 8.686796758 4.152540422 3.564735699 13.36684928 4.37616058 1.705048348 1.589197679 5.784508456 7.85920648 7.222417531 15.46321588 3.767370383 2.290578537 5.693702432 1.193828674 6.448731772 3.075295323 4.562078502 1.619283084 5.308696429 8.458709499 2.373903981 3.044026801 2.463356734 3.188028237 5.525550316 15.87017542 2.849036238 5.863022618 3.80995456 3.161055726 7.122779651 35.56136116 4.885521901 2.039247607 3.365097993 7.095011388 5.928999579 1.780895122 3.566409161 2.520971076 3.849125579 3.557525143 2.029749787 1.244179307 3.381693376 5.784111515 5.277579705 2.386416805 10.29188837 10.79306037 3.185045689 2.345677445 1.281215457 2.261081718 5.018146534 10.73368857 18.4116699 29.29164196 8.323033332 1.279122107 6.115980857 8.885670363 4.597224208 Succinic acid semialdehyde 1.458554783 1.809479565 2.238719883 1.513008971 1.424675581 1.114482852 1.508260652 1.083960603 0.876773611 1.323891834 1.371830913 1.828615394 1.244433319 1.849951603 1.467594359 1.325242364 1.33022586 1.259488593 1.477696505 1.339204433 1.105780715 1.809961131 1.356707439 1.194121231 1.276582147 1.575258825 1.250198457 1.356519674 0.61530182 1.363093797 1.472226977 2.291143074 3.398421688 3.001974814 2.647592697 3.646146491 1.683873164 3.108479853 3.912709816 2.334195521 2.521236699 3.504377821 2.896093555 2.171389475 3.1642253 3.643135139 3.066758142 4.283340066 3.106057689 3.91461469 2.157244966 2.436144744 2.922275306 3.078627805 2.119934694 3.511896907 3.459314593 3.060483563 2.471296168 3.730400805 2.375499184 2.44866778 3.417434443 2.893233227 3.121859615 4.161246424 3.050033153 3.216223869 1.678375443 2.464103772 3.232242563 3.470723464 2.957857003 2.568958868 2.316813803 2.72947661 2.765852019 2.757135743 5.357917206 2.237616493 2.911159922 2.343226249 2.793593485 2.6654815 2.321113477 3.173767857 2.773965344 5.134238056 3.798383709 3.234623089 3.162893614 3.833334848 4.24845135 2.189710642 2.618113803 3.669313036 3.079487624 3.172055861 4.781636983 2.599167156 2.52114916 2.882127301 3.847811116 2.816542773 2.271288476 2.591798952 3.110431373 2.388073446 2.446423731 3.766463327 2.328527559 2.73220254 3.022082722 2.817472885 2.948389589 2.802020012 2.256457091 3.359377835 2.569674909 3.303014042 3.590677262 3.227682699 2.147700338 2.616016848 4.530704844 2.202183026 3.369842163 2.791544649 3.662870098 2.732084157 2.268990502 3.481442946 2.309533726 2.899488156 Succinyladenosine 4.096987341 3.832975197 5.216471605 4.357063451 3.41040019 3.537285863 3.070476286 1.964985555 2.237885861 3.874431941 3.556359002 4.851652066 0.014050462 4.287051034 3.627612461 4.697003434 0.017982372 4.038711315 4.360053751 3.914264953 2.857189866 11.78164735 3.274186966 3.008669087 3.304275621 3.493899717 2.527039289 3.93179385 2.600518234 4.183190731 3.310673779 3.77267881 11.16772258 4.855513054 6.464296579 6.080136971 3.615292863 6.847657862 7.869403501 4.449268086 4.438153711 13.58036894 8.043020602 2.879875975 6.90566835 15.98948204 5.541732835 7.484746099 4.66536094 7.789729885 5.169823262 2.364052102 5.237707867 7.75173195 4.356367757 11.4456126 3.977421461 4.297013696 5.935116412 5.719237459 2.459919365 3.100603845 6.748375599 5.151775708 5.825467945 20.96196637 4.928973315 6.373037526 10.7455225 4.106077007 13.65872545 18.99463466 11.70765027 4.653327847 4.37101748 4.703957196 6.073127341 5.434907261 11.58601806 5.567509454 5.375763268 2.784777948 3.516611734 5.374414516 4.933116016 6.135852482 9.61572411 14.51832133 8.381076295 5.605298415 4.919559298 8.560088093 6.946300447 6.649601148 10.1244304 5.755589678 6.232746744 5.534825966 7.445265602 5.440172245 5.293763057 5.04453124 8.436233133 5.599887206 4.299256072 6.042601668 5.87637899 6.418669547 9.86895521 6.265642511 4.432362393 4.699496725 5.656735983 2.868555421 9.436142962 5.351594968 3.34566847 9.323014402 9.20731183 4.647687064 19.41975122 10.09470991 4.278610555 7.071156062 9.859033486 7.057218015 6.457034772 4.20344376 8.344762951 8.503198692 5.995754257 7.22439703 5.336285156 5.343919555 Glutamylphenylalanine 1.633063328 1.700640306 1.873209237 2.856445786 1.515683619 1.804398848 1.188964354 1.053768071 1.062305734 1.314019914 0.695133367 1.588816499 0.348524474 1.652625139 1.659367851 0.19760474 0.740342252 1.565954353 2.094902533 2.136634753 1.425153726 1.552429109 1.547627198 1.018373167 1.381364588 1.182663399 1.398711226 1.185885999 0.930604762 1.620776331 0.643871955 0.658242279 0.602879192 0.559759868 0.549669827 0.631700568 0.585234866 0.624537472 0.523420433 0.419101353 0.667418351 0.59681918 0.438237819 0.524456238 1.152341689 0.616252439 0.512628878 0.808407313 0.726131223 0.519491224 0.452662212 0.785659065 0.575639356 0.617511208 0.40257762 0.534158042 0.841815394 0.591390527 0.465355276 0.599609796 0.523084259 0.646230791 0.584437031 0.735891655 0.378307714 0.892291841 0.60083645 0.633700471 0.634214903 0.474892462 0.528637931 0.505505515 0.391471831 0.855651831 0.501378667 0.461432032 0.513495846 0.870995962 0.983963949 0.437495113 0.63346049 0.445409771 0.536551753 0.404066454 0.570270931 0.467439877 1.029453302 0.668522829 0.53510688 0.712562225 0.553123616 1.066755266 0.828028486 0.495395836 0.756635092 1.015306428 0.584049778 1.765275718 0.493803969 0.7095409 0.536683682 1.484046802 0.650935239 0.850234235 0.623642392 0.527446324 0.529576231 0.976576897 0.479402912 0.706394042 0.636302341 0.492907525 0.434582978 0.679800422 0.554747773 0.471224957 0.700945881 0.5315096 0.321593372 0.792627653 0.48592978 0.371783027 0.774861393 0.549829396 0.727683907 0.576851938 0.505060956 0.5534008 0.390495014 0.495726254 0.61815773 0.478882402 0.461466024 0.471612835 L-arginine 16.84651688 10.94590083 15.11783117 13.04175667 9.811844949 11.15984235 11.1010302 7.424448177 7.3269113 11.42350574 10.51716973 9.99693725 9.987606916 8.960653075 10.46349745 12.39289202 10.69687903 15.10451033 12.80958871 14.61967289 7.638007511 12.63552414 10.09598377 9.638800998 13.02721057 11.01142558 6.628807076 14.08271708 8.735981955 8.894014234 10.52308804 10.51619002 11.18689418 12.85237073 12.55393209 8.939851883 8.927298402 10.18698413 12.86462643 8.536121363 7.545726025 13.63717682 11.73995655 5.610791875 12.84694993 12.05081496 9.245519684 12.31328551 8.43970862 16.57239972 12.84342596 4.80546607 11.10898549 9.76820676 9.858838011 12.44435694 6.257799352 7.130229746 8.850226195 7.843412707 4.388072172 5.329983142 11.78226353 8.17456335 6.598440691 12.44399835 7.84552118 11.88824239 10.84299902 7.618557031 8.231390772 9.443193369 13.44543904 10.22691305 5.902224461 7.635147445 14.9507627 9.761488375 21.8026244 11.90155404 10.06183917 5.514878245 8.131012146 9.155330779 13.66737032 12.89393661 14.43802857 17.19037871 10.47644269 10.01789699 13.01735803 13.7554692 15.10398632 11.20512907 7.897116869 8.434824078 8.820379901 7.166008966 14.03469952 9.587409114 9.247973099 9.292176068 9.973706899 11.30215724 9.202062967 10.70741784 9.520797514 7.67002817 7.768690547 12.57043981 12.22947759 9.441603654 6.016325839 9.420590902 9.851007519 6.007377737 6.655820961 7.244525685 6.010352482 6.619726021 10.14752745 7.290078677 12.66878349 10.67556486 16.15449473 14.18799222 7.699606295 7.292214134 9.849215735 10.24380876 12.24855323 10.23571936 8.83028895 11.38769954 choline 20.63826883 22.85004061 25.70510366 18.79656322 19.78338432 25.55118035 18.78995228 19.13746773 25.01012303 25.02431449 23.31863459 26.93261717 21.29922171 28.34449769 28.63095805 31.66927786 20.53055505 21.49674225 27.51040034 25.7851344 21.27307316 21.8900115 21.32689711 23.02368242 21.18511878 18.1106491 24.59512973 23.87207541 35.46077364 23.64936904 20.66696087 4.921342606 3.17651859 3.583206532 3.923492391 3.951749539 2.393355912 3.541930321 6.100909311 3.680513725 5.17909372 3.965826009 3.201772745 3.703719949 5.67174071 2.555529672 3.518984534 2.982119861 4.231920631 3.76392156 4.295175682 4.940201712 3.864157381 4.135032023 2.496289437 4.379877713 5.335759128 3.146722863 4.529065906 3.760096642 3.378683244 5.733430038 3.693312996 4.372555962 3.951698594 4.040441437 4.34179249 4.470707009 3.528208535 2.780515492 3.68180861 3.676964768 4.130415822 3.911073937 3.776783337 2.985346311 3.122927588 3.816704912 3.143095049 2.129693437 5.294678074 3.771902184 3.402732499 3.955962282 4.258024849 2.58992067 4.316333738 3.496341406 4.789707339 4.282239976 4.303627348 4.158182518 4.684576644 2.324450944 4.995859744 5.426432569 2.546399784 3.301260524 4.250171714 3.233114003 4.721311506 4.438325566 4.215449705 4.085693733 4.598810233 4.698898222 4.946272132 6.713136448 2.491991336 3.633612696 3.612638852 4.142823811 3.417664522 4.754238154 3.77497063 3.410746508 3.038916988 4.326288228 2.668618623 4.631901983 3.246478605 5.08653771 3.70459799 2.906223921 4.281990112 4.505949949 2.500853802 2.658892022 3.209106055 2.357680667 4.22242662 3.083730123 2.884486042 2.793164262 Trimethylamine 1.509240995 1.765995341 1.85022652 1.44819168 1.48759338 2.43918638 1.393341006 1.455594335 1.733791535 2.301001625 1.944292596 2.398250267 1.932072187 2.16025341 2.209446747 2.905763467 1.662099428 1.633245797 1.871299957 1.99556795 1.523357968 1.439323587 1.527477557 1.586242696 1.71506485 1.557564867 1.749747665 2.523173712 2.502118294 1.692620849 1.399840908 1.141054887 0.590376264 2.027903894 1.013850511 0.897368298 0.496417672 0.71920109 1.060878088 0.566536546 0.735251203 0.921420661 0.587929649 0.64496108 0.968817718 1.251517713 0.897355959 0.767541895 0.901624668 0.854752424 1.431758462 0.76485889 0.770905446 0.766565365 0.497832253 0.900629869 1.074046377 0.660292286 0.778028294 0.89259199 0.642423165 0.793566531 1.096861767 1.198846028 1.464989715 1.156396656 1.251912555 0.989089575 1.876806985 0.65043954 0.669066532 0.747337741 1.316173518 0.764122897 0.627023216 0.683686657 0.780806874 0.82308196 0.794257255 0.478479534 1.095609258 0.629400395 0.673299816 0.921850816 2.410978658 0.923731253 1.421394231 0.904613079 0.988968521 1.438859643 1.088464152 0.896845577 0.964836875 0.489703036 1.702389618 1.00506936 0.640732492 0.848845543 1.024583378 1.192187709 1.469159504 1.456384519 1.388727237 1.173907525 1.004257481 1.027565566 0.989569106 1.314941837 0.558240831 0.996461992 1.079183188 0.83366369 0.684740136 0.827909442 0.736241254 0.81443081 0.600566309 0.88243531 0.601218301 0.801158647 0.786662934 0.828179632 1.055079689 1.004161938 0.878920368 1.176586406 0.736844888 0.667534595 0.758236202 0.940546153 0.750110714 0.98176305 0.61418128 0.722475717 Delta-hydroxylysine 6.380508971 8.550060456 10.39290601 7.047024844 7.067239026 6.994151258 6.973980092 5.187361314 3.545897697 7.696628383 7.533556807 9.487487129 4.983061968 8.894392995 7.723278569 7.474550034 5.198098131 6.343603763 7.668384568 7.281963942 4.746535157 7.406657737 6.138767954 6.058433697 6.216213532 7.717564569 5.541844985 8.817198288 2.74577698 6.186094013 6.640936681 11.60403918 14.0056482 19.68189091 16.58063002 19.35804593 8.551835035 16.30435849 17.65052726 11.1423236 11.13461992 18.38077042 13.42938794 10.74600415 14.90849368 20.97877775 16.93668833 21.632503 15.81987325 19.08019244 13.64097702 11.38447532 14.07256515 14.36891668 9.757748052 15.59272967 16.47333765 14.47223258 10.85167222 17.49513132 11.47168677 11.22821635 20.52598387 17.01208731 18.63253356 20.48438403 17.492192 15.77609015 6.951576704 13.74951567 15.52889297 15.24483335 17.31078049 13.26784184 12.31464571 14.07700833 14.13096589 13.89867158 26.50720404 9.952984817 16.06928348 11.83499058 12.67168656 16.23439117 12.80420758 17.79597505 17.48043892 23.90743432 18.79127612 21.66918157 15.41724426 18.38245911 19.84765639 9.012849069 14.86000025 16.42777034 13.11301196 13.70527454 22.29178272 15.67162082 16.37638839 17.2380056 21.96625654 18.71145773 11.86280191 13.81685781 17.53906937 12.68183736 12.06348541 20.68617552 14.74808203 14.76540732 16.42252487 15.02494238 14.38214462 15.18402181 12.69096674 16.63005974 11.62478094 17.52332353 15.26242246 14.37809065 14.20075942 11.66759012 22.14616742 13.45007696 16.96385731 14.47653274 17.4400025 12.5422747 11.79106578 20.02659163 12.22358858 14.8946647 Indole-5,6-quinone 1.074441998 1.890128328 0.749358957 0.632863536 1.19083822 0.921296846 1.101390765 1.063055332 1.0027666 0.938166174 0.695305854 1.046966833 1.653444653 0.747017356 2.343074905 0.876753312 1.453911311 1.026718063 0.636751371 0.652064171 0.966851687 0.691427779 0.700334077 1.540564541 1.835506136 1.617066021 2.064254706 1.221710734 0.995806921 1.53140536 0.632502638 3.635035582 3.705057906 5.456019046 4.134589176 4.398162385 2.849701993 3.770701225 4.660487045 2.291441124 4.003148433 4.830906211 3.121220325 2.610446093 6.033132206 3.106163599 4.943804843 3.171564315 3.709204615 3.442417361 3.601276178 4.137273549 3.29212343 3.583599092 2.613062876 4.277819403 4.551767945 4.014983926 4.093997015 3.692108243 2.427209764 3.071918819 3.791077735 4.176306754 4.010409047 4.621544499 4.145176512 5.020372201 4.005831645 2.57805177 2.945528547 3.631379154 1.007437977 3.005744421 1.781836599 2.915385255 3.703993741 3.792203458 6.521053599 2.103695327 4.699276157 2.643933604 8.207808904 3.813113511 4.554249449 3.873860605 3.364059985 3.967207753 3.158014261 1.552882407 4.912663913 3.427423148 4.350531902 2.864942816 4.725907648 9.120165018 4.380521424 3.313471539 4.455615599 3.89445136 2.471805409 3.907074831 4.52698971 2.869928917 3.701722265 4.838808156 5.266274707 4.979034284 3.343507651 7.401829304 1.25573187 2.69379761 1.932746574 3.770173188 3.621205506 3.389564065 2.449619846 3.384075135 2.093235529 2.642343746 2.346455361 1.987285727 4.119359874 3.36165934 4.247468147 4.132075698 3.039950436 2.209992571 3.745397827 6.606388049 4.477604156 4.644333862 4.55544992 2.992399127 Allyl isothiocyanate 0.432100761 0.387958319 0.724130916 0.712222187 0.320227068 1.153982531 0.4330513 0.367904603 0.275115657 1.792993929 0.837199601 1.753249457 0.456002081 1.191016122 1.23605188 1.884739977 0.345419297 0.370477727 1.152000885 0.949368894 0.58984495 0.735290341 0.900229928 0.687979928 0.580719139 0.369520697 0.49197085 0.552303057 0.502792231 0.620681414 0.898051321 4.698731571 4.847941206 7.179530517 6.240506533 6.137139198 2.632168471 3.925606887 6.415473178 3.595762756 5.444589502 8.09640901 4.933582184 3.516339697 7.546820527 4.494153068 7.665091088 4.457942845 3.990029166 5.650954814 4.804640037 5.655573307 4.20753718 5.020258422 3.792619758 5.394821864 5.975625042 5.531876967 5.822411313 5.573400242 2.790558058 4.322695563 5.63494644 6.519906423 5.781743095 7.442804313 7.813656524 5.769442587 2.964044606 2.885263271 3.602811879 4.002558467 1.96872851 3.605291202 1.466362281 3.022737462 4.594527944 3.732202048 2.761894488 2.990509548 6.912414958 3.330350763 6.210625766 6.106479777 7.730518269 7.502618701 5.494609809 5.350062899 3.022955358 1.829281108 5.804795396 3.541217814 6.813204866 2.518536255 4.504249185 9.589321386 6.212397942 4.478195109 5.626300133 4.58665864 2.524819732 5.800778945 8.082616169 2.984965929 4.955555342 6.859099634 7.864956653 5.316672776 5.502392985 7.412306281 2.504022691 3.014149375 2.779534676 5.136471513 5.337186565 4.200362967 2.712743041 3.702091294 2.97030868 2.19883015 2.872447284 1.455651404 5.268707818 3.046327853 4.314932024 5.405773915 2.957724089 2.082267509 4.65750766 3.122576117 6.851757484 6.620757772 4.46508128 3.098921129 5-Amino-6-ribitylamino uracil 0.819857849 0.985320243 1.455621939 1.043515844 1.149480411 1.065942698 0.91674987 0.822774028 1.120552766 0.462996087 0.652774374 0.927160508 0.555574527 0.775234236 0.780431511 0.46130381 0.844769644 0.789086309 1.390417204 1.323720506 1.123667757 0.58383579 0.900301467 0.391189268 0.557371954 0.613355652 0.719457377 0.710017876 0.599839098 0.842209968 0.634842721 0.064022038 0.063392047 0.673395393 0.560120678 0.130280803 0.320310092 0.130029768 0.118175264 0.043269131 0.097101716 0.118684039 0.118213914 0.10798155 0.114495243 0.092442016 0.131396669 0.076831462 0.12061267 0.070928167 0.133652179 0.129132543 0.12812525 0.054258986 0.253478361 0.102506624 0.103937267 0.069623775 0.074269742 0.054031215 0.072450553 0.167236517 0.137626258 0.144649931 0.163305693 0.114621351 0.107936761 0.186458186 0.455505307 0.097382011 0.16033274 0.076887856 0.118278292 0.095741541 0.083064066 0.104288777 0.081471529 0.096542196 0.177577024 0.067694935 0.153152342 0.064913651 0.08029613 0.183434645 0.097929678 0.178437271 0.113628554 0.121509787 0.161516376 0.127955564 0.183882286 0.117748386 0.149910421 0.071324225 0.146321 0.138143353 0.073779387 0.063366717 0.163940587 0.143822104 0.164562229 0.226392304 0.128792311 0.136753199 0.127137375 0.194197663 0.111768206 0.115461153 0.068988989 0.117456427 0.333021684 0.139633056 0.12083973 0.179077639 0.089541483 0.085751216 0.120925511 0.11799466 0.045540515 0.149339364 0.110846457 0.126728092 0.10848239 0.093167233 0.132322803 0.182209047 0.694889958 0.147219421 0.093246591 0.052552474 0.14790481 0.125843631 0.090619839 0.094971674 20-Carboxyleukotriene B4 1.199516987 1.55521873 2.400866218 1.566683925 1.132320762 1.41482008 0.457246767 2.49410072 2.201776017 1.228558907 1.578287576 1.489897923 1.600592959 1.199661263 2.936415696 0.34279898 1.799744975 1.79647255 1.720758856 1.374742284 1.250327515 1.004831087 0.914507224 1.455522632 1.396567498 2.840435855 2.542977901 1.504535355 0.94215219 0.71272733 0.655355513 0 0 0.135763445 0.088141523 0.129451564 0.036644227 0.086973662 0.169817247 0 0 0.137332135 0.033127364 0 0.194427916 0.096111263 0.152057425 0 0 0 0.124400771 0 0 0 0 0 0 0 0 0 0 0 0.14287263 0.230203971 0.101616331 0.129754662 0.114659735 0.089761902 0.092886184 0.047904192 0.100787946 0.047549215 0.12844057 0.047812589 0 0.015353112 0.009979752 0.04550356 0.115956098 0 0.088674626 0 0 0.153799255 0.232243289 0.237727318 0.173537085 0.26574516 0.279068373 0.199342928 0 0.165478829 0 0 0.1162071 0.105731982 0 0 0.134659887 0.169705701 0.172864093 0.245994962 0.094129225 0.144005241 0.104162737 0.198438659 0.167135529 0.070927107 0.093909815 0.175495025 0.103044635 0.083533707 0.062837733 0.161461067 0.065354302 0.005221323 0.038763338 0.065021735 0 0 0 0 0.142735328 0 0 0.214406598 0 0 0 0 0.718879836 0.159980532 0.052111874 0.033081152 2-Furoylglycine 4.059503218 4.796806074 5.377129633 4.235773379 4.117856865 5.310729391 3.666989518 4.828530758 5.086624645 4.487742032 5.294155373 3.746273478 5.417944428 4.16161443 3.285796318 6.747137973 4.995662965 4.10331261 5.52842123 5.820332954 4.77829004 2.657628449 3.645631593 5.748912614 6.521026139 5.726931852 7.218550995 6.235099347 6.097983886 3.562121655 4.862775869 1.781117038 1.696920222 2.811012548 1.554670786 1.911671536 1.135002243 3.76902607 3.076564511 1.704519837 2.167902791 2.378830725 1.833128499 1.642558332 2.681740652 1.674130422 1.802096937 1.649123783 2.805329012 2.000151414 1.775750498 2.197701684 1.548670575 1.845215397 1.74206971 3.89380439 2.550649573 1.613750726 2.779030539 2.201566892 1.500941308 2.494141969 2.108125623 1.648583557 2.309477042 2.002892762 2.350811233 1.855783814 4.127791397 1.136088777 1.975210642 2.411950561 2.42308992 3.405696331 1.498856551 2.144614921 1.364577343 2.65553726 3.220134793 1.551246046 2.185944941 1.236081659 1.925332709 2.20177522 1.507776078 1.732246647 2.311907007 2.007970433 2.367502595 2.28844122 1.92616406 2.316283245 2.882118124 1.218317065 3.595344263 2.271876541 1.604651411 1.63570177 1.483744802 2.487112525 2.0544959 2.311853596 2.15172812 2.097459435 2.120779115 2.448575022 1.686319906 3.836399055 1.553730098 2.799951705 3.00302891 1.727924406 2.313614769 1.87542102 2.431181323 1.565822711 2.181030165 2.00978848 1.862589465 2.252332828 1.521175793 1.892415949 2.928436107 1.351613575 1.704643729 2.840915061 2.853964129 1.560897824 3.119416786 1.380082735 1.537406741 3.10991457 1.384037975 1.826833353 Methylnoradrenaline 2.144508386 0.668611862 1.140451407 2.117716259 1.273182523 1.367238373 0.652932115 0.562025778 0.437931278 0.809466949 1.315333293 2.605076217 0.503548737 1.86433535 2.054760486 0.273408538 0.769352797 1.897912003 1.976061192 2.024390811 0.924694376 1.506348666 0.663872042 1.596325084 0.212359043 0.564971777 0.745834726 0.364673547 0.352381759 0.494791693 0.780974694 3.56455597 4.431480726 8.548724349 5.973357521 5.851059698 3.37334413 6.744074743 6.436201445 3.017948635 3.708543008 6.142944672 5.712727824 2.99014987 5.61369554 4.980257997 6.865109287 10.77664831 5.750532506 7.110142297 4.462654043 2.458565365 4.744266085 5.004956454 3.33789548 4.374853074 5.062166252 5.589229398 3.879228823 6.45915913 2.674946719 4.270229346 6.152531983 6.649081568 8.039477481 7.1135041 6.195996194 5.714413833 2.307391706 5.09574024 4.44412585 4.144746365 4.67300501 5.908118182 4.242147053 4.502125292 5.810418696 5.007488018 6.964084043 4.159272658 4.798163891 2.878132164 4.474393239 5.952711127 4.682155497 7.163180033 5.538033194 9.292034028 6.076402486 6.77591319 5.353747506 6.226039252 6.473707232 2.482911278 4.281844201 7.561866897 4.811260268 5.537690579 8.81378659 5.010166103 4.963269949 5.874337977 9.892212116 5.39915176 3.479486949 5.196034954 5.807244471 3.8561577 3.258107753 5.306714243 3.473558847 4.686912856 5.54739538 3.510597819 6.735828587 4.260786863 4.108478813 5.278750228 3.37651884 3.591336259 3.466673642 3.903578244 4.222298026 4.895409084 6.204243356 5.02826438 6.664009934 4.639509784 5.575636362 3.875938286 4.222309892 7.564232718 4.241088817 5.805599753 Norepinephrine sulfate 1.153970927 1.292641398 0.013793038 1.105576578 0.9702854 0.993252085 0.875349559 0.922434804 0.991961091 1.037645521 1.055725075 1.219957099 1.182660994 1.185311955 1.063881677 0.85497571 1.149570738 1.168272407 1.279481717 1.378845166 1.34110896 1.026787133 1.198820294 0.972181336 1.119408371 1.176550735 0.922646847 1.035158595 0.935582663 1.000525723 1.067238648 0.668945081 0.52760017 0.551500388 0.645162672 0.593084042 0.501670154 0.659455276 0.638830853 0.364303943 0.394860747 0.634762776 0.454593262 0.362065138 0.699849322 0.537409886 0.499136827 0.768790449 0.656692869 0.561908425 0.518586152 0.552869556 0.560966916 0.552593216 0.426091919 0.479263159 0.49780915 0.451355987 0.474179507 0.593385006 0.344039786 0.649429267 0.609330273 0.436957361 0.540217648 0.543865365 0.644512631 0.484259954 0.724605192 0.588648431 0.659943378 0.607537409 0.550477995 0.552086696 0.515813222 0.661991477 0.613611655 0.637113791 0.816083826 0.561405982 0.708476334 0.420565801 0.510480941 0.613185205 0.57248193 0.566372917 0.633521646 0.830194606 0.750491398 0.690083285 0.677569626 0.936755733 0.673878047 0.374791303 0.541147255 0.547282157 0.463335366 0.490368597 0.541464541 0.650094007 0.569016233 0.578648473 0.663780231 0.65492936 0.754579771 0.596000599 0.614677137 0.636808478 0.442362109 0.303988234 0.541026497 0.538894301 0.597014356 0.885236261 0.717233141 0.520816594 0.656627462 0.40383808 0.363455217 0.695926966 0.563652024 0.538432591 1.057819386 0.463855299 0.747559122 0.568623704 0.450167847 0.482473376 0.570276697 0.398935956 0.710088169 0.413514571 0.400239174 0.54914209 Norophthalmic acid 0.911652454 1.036189852 2.271160204 2.079953984 1.123652169 1.052547528 1.040976328 0.83418176 0.609687605 0.344942045 0.008281969 0.41809399 0.043501471 0.68385752 1.145328405 0 0.119082227 0.743462716 0.75742756 1.279889591 0.074052505 0.131659063 0.539697253 0.138608773 0.179729844 0.130400069 0.892044379 0.139914691 0.184771362 1.379679315 0 4.671156738 4.609408287 4.148978813 4.103176179 7.366638261 3.171153002 3.482960621 5.889398252 1.954791538 3.726085323 3.204211946 4.685073959 6.580862069 16.24448308 3.009932224 5.23569764 2.835114802 4.562278046 4.902704311 6.370206208 6.284053501 4.492934438 3.54790547 3.418722041 6.120772879 4.807284966 4.293415889 2.4655741 5.049764399 4.752273248 6.45743469 3.978540793 4.339911342 2.799687333 3.63280735 4.797684329 6.910332367 3.515701461 1.947849978 4.749001698 2.302279921 3.000038168 4.698302098 3.662263004 5.322071594 3.06296396 4.211546526 7.662846247 3.156834422 7.228370146 3.712282973 4.915286219 9.349944101 4.742891065 3.739282067 3.695396896 4.315631357 4.162998036 3.708665712 5.166508699 4.486835388 6.748333821 3.846007815 5.286429409 5.111094303 4.405827915 4.967400189 6.768499012 5.140166035 5.158657835 4.187032008 1.678744122 6.889945077 4.845755623 6.403112613 5.163193448 4.850724891 2.390810004 14.7188684 4.659342249 3.711765132 1.775754611 5.985988611 2.778986819 4.512816962 3.565993177 5.147334103 2.151774447 2.344909882 3.359458786 1.724929319 4.640993705 8.068787659 7.494290875 3.688553763 5.810320015 3.438260032 5.856602393 4.488802904 2.823787825 4.656714402 2.416145267 4.905787251 Benzaldehyde 11.63603036 13.68510236 0.554250702 11.39277518 10.53314073 9.543811724 9.643163922 10.16788998 11.25978497 9.868434431 9.58239983 11.11496566 11.31757854 11.29782874 10.60955537 8.393016097 10.96512236 11.07682357 11.98521704 11.70334441 11.57132428 9.140440521 10.15302255 8.739386854 9.713334564 10.83917711 8.962182576 9.384846445 8.849580287 9.047945569 9.750100315 7.637713936 6.2249775 5.44099473 6.383957489 5.975050797 4.714312089 6.229432572 6.797578759 4.306274293 6.695293285 6.125120233 5.165141995 4.772842044 7.09347168 5.634621753 6.115977663 7.571598325 6.674896673 6.075392386 5.351297351 6.67240206 6.370748068 6.472668714 4.240941803 5.698797819 6.35300321 6.036742634 6.157885437 6.861784337 4.974908398 7.661299817 6.179723636 5.15931255 5.518415452 5.593014622 7.013679329 5.550739165 7.114356348 5.302635162 6.204558125 5.882779965 5.609703839 5.161266096 4.626469858 6.101689373 5.477552627 5.872997597 8.052899243 5.302985831 6.753581697 4.838491264 6.106546121 6.30129201 5.819795607 4.461962479 6.321472554 8.461407017 7.62131964 6.69268962 6.366880603 8.870368445 7.610096865 5.320486045 6.182443736 7.417818258 5.924486007 5.542652213 6.757138266 6.317878381 0.948008362 5.11569323 6.765505195 6.721262627 7.338011991 6.88267881 6.073383018 6.863652999 4.639139449 3.666293216 5.649228092 5.477178364 5.724433469 8.056721675 5.777579067 4.64037335 6.026347406 4.947090162 3.595319439 6.748462385 5.54319971 5.140230423 6.800506865 4.41802763 6.795841833 5.571503085 4.321814752 4.784864423 5.181145048 5.639430401 7.047592693 5.54444002 4.143180553 5.852714625 Coproporphyrin 0.183320883 0.209073224 0.420671375 0.313435263 0.198435934 0.154789734 0.240815058 0.181633957 0.196397032 0.095388219 0.062647925 0.197027386 0.063037652 0.168474728 0.081203297 0.039518383 0.053280473 0.175596239 0.17584084 0.162987822 0.108259228 0.122328425 0.170827642 0.106244686 0.116864629 0.121325739 0.084684846 0.098064675 0.182085044 0.208249849 0.04067128 1.113445536 3.454025501 1.947333991 4.397881039 4.060518096 4.844258145 4.346218629 6.534012234 4.565220032 7.281642658 11.26342328 0.774296514 0.544540662 8.234647413 5.953937099 3.883827339 4.195068112 3.25869567 7.331476716 5.724341589 1.045615447 3.426925568 4.700294052 2.767609617 3.342997287 8.454952958 3.101234678 2.82200932 4.867727481 3.156122655 6.562576492 7.479861588 13.29045283 9.044347451 5.839604738 8.137890895 6.471515488 2.39164633 3.542048717 3.404406301 7.055688221 11.70950466 7.351701542 3.210561848 2.372731936 1.719095917 7.610304379 5.013451939 2.216243649 3.06068088 4.005925117 2.152024619 3.464489312 6.668664752 6.814703084 14.05207917 6.007306265 3.008345242 7.606025531 3.304725694 5.363081616 5.513478497 6.009784704 5.901106464 2.842311165 3.395408352 3.743844179 10.75450575 5.594962269 7.2180916 9.725835677 7.972831802 9.027221963 3.187358474 1.223865778 8.388531989 5.913416126 5.593476443 2.63645326 3.866445708 7.067974058 4.434068903 4.246169539 5.379879449 4.735227978 6.821813955 10.84816758 3.367842135 0.6814945 7.867176807 8.026500467 6.238424238 9.877016425 5.205847399 10.49716513 5.930657061 6.546702725 5.693099477 3.932388636 2.987697093 3.806107391 5.972683894 4.212498317 Bilirubin 0.007107418 0.093006756 0.077457511 0 0 0.163371339 0 0 0 0.180441271 0.270476756 0.084451721 0.3612534 0.733027636 0.050917414 3.510116771 0.105567052 0.046017228 0.055214366 0.149881292 0.077462403 0.106726128 0.079853565 0.602969459 0.051722228 0.05492147 0.076094016 0.044778627 0.068215752 0.049236247 0.202183336 6.977624408 12.38399332 6.156732228 5.102981811 24.23043451 4.024883475 9.799809023 8.831237385 4.154424802 5.241364276 3.800579119 8.867331626 6.362885401 2.934576054 2.570900094 2.172807069 4.737527763 9.411505704 7.030662041 3.739235038 5.39785568 4.216872293 9.859413141 3.20439789 8.087588648 8.806602181 7.995254794 11.0955696 10.83517415 4.083014591 18.48094874 5.321417139 5.559184585 10.20644285 4.172301603 7.248805206 12.85643219 5.603689506 5.748946515 2.883870347 7.380292708 16.23965089 11.63066807 3.787682709 3.073960671 5.376889098 12.01138169 5.732149823 5.171098762 5.749352071 2.064636335 1.803592092 4.892116591 5.068387973 5.888529635 7.437062266 3.213302696 6.715744324 16.8120789 14.13791357 2.095461117 7.346875386 2.120934587 6.37445084 19.74228453 22.16968116 16.7463131 8.344476457 3.466528403 6.901413586 5.424916244 4.02265084 13.15633295 1.774486084 13.88717322 7.148898421 11.08693202 2.537658361 7.109728133 5.010056476 3.252742195 6.856206735 7.91088693 5.132795393 6.43916983 4.047287651 6.32170239 3.466731538 5.542136906 8.222421431 5.656119282 3.502112563 12.32908362 10.56489712 2.648132891 6.12675905 4.186429026 12.78329541 9.390541886 4.449868719 7.721912072 2.661070284 6.0661903 3-Indolebutyric acid 2.200632095 4.139223695 8.353854963 10.45348899 2.239508351 6.411613865 2.894370491 2.340211628 2.23800735 5.386246214 3.79817474 6.055121827 0.249444138 6.048737047 7.208211585 1.762907185 0.206339319 1.849648696 5.99343304 3.889813329 0.510970706 4.669291556 3.986487204 3.175446203 2.552000961 1.342454381 1.38346633 3.423296751 0.547499843 2.307132731 3.840369888 0.901019149 0.875110905 0.537524345 0.516324747 0.594461099 0.372631777 0.524988489 0.843074156 0.540551399 0.71838921 0.532834461 1.372997052 0.411439725 0.448654247 0.452734079 0.624894823 0.631846516 0.538185775 0.590428271 0.535734328 0.672755946 0.229074556 0.738021354 0.524567103 0.777255613 0.967254902 0.795066637 0.570607176 0.432678258 0.379502719 0.40193375 0.499567492 1.031487289 0.558859129 0.577988076 0.728507164 0.681971994 0.484850931 0.609447635 0.440023149 0.63472816 0.232166427 0.540016977 0.329293332 0.584675271 1.220834116 1.833068449 0.642360553 0.428161012 0.698619774 0.463776652 0.902409457 0.642052798 1.536850943 1.611139417 0.554799722 0.686912911 0.628214915 0.291160892 0.657686252 0.689825837 1.04927369 0.412361627 0.453850734 0.565098116 0.494148419 0.450749697 0.621833626 0.506925151 0.356778671 0.853726796 0.508510719 0.332564069 0.532827504 0.515473111 0.632481913 0.635476034 0.442153433 0.631779513 0.246968798 0.370759433 0.478233999 0.587504252 0.654588987 0.518369542 0.506086601 0.59842954 0.531232101 0.47303209 0.940241784 0.616499132 0.463968395 1.336531961 0.847312067 0.427338902 0.435261 0.422377233 0.784127172 0.373487277 0.632104698 0.550839111 0.47594328 1.575845348 Galactose 31.25716741 29.41622281 40.34013866 33.3129128 25.58408908 26.83107045 23.63489486 14.98127763 17.0112542 29.65519573 26.85472668 36.51468343 0 32.18993539 27.52085782 35.75006025 0.302418992 31.00292129 33.73416998 29.6669908 21.77924674 88.9756029 24.99909434 23.08041065 24.02625279 26.76376698 18.81108624 29.53269259 19.64660944 31.88910783 25.86689086 27.9719292 83.83241093 37.40949213 50.7422971 47.21822705 27.55978901 52.47968101 58.8197797 33.79789307 34.03028242 102.1618046 62.65817731 22.14896592 52.27740525 119.354866 41.95568568 56.98154215 35.14273043 60.64410551 39.41590745 18.09407841 40.18911245 60.43929025 33.9363412 87.62324689 30.0038148 32.95420275 44.43031194 43.60569428 18.19978702 23.62017002 52.46442303 39.80697205 44.88225841 154.9900884 35.83951796 48.93247415 83.27056881 31.66806559 102.0831928 141.7502724 86.06866166 35.50729382 33.1993744 36.20889683 46.51783365 41.16313383 89.96058105 42.55611904 40.895609 20.9734807 26.51804978 41.87998511 37.4869377 47.14732884 70.88555666 109.3329176 64.32126533 42.07924062 38.3530513 66.93922819 53.94691908 51.55400876 76.19209237 44.27769995 48.24774429 42.18130911 56.93388662 41.64785727 39.41686694 38.6999478 65.22008611 41.13856054 32.93729992 47.2571063 45.0430321 47.86851383 74.5165361 47.44325605 33.53041697 36.36515053 43.1248 21.04940674 70.56851921 40.6422607 25.44890746 71.71615169 68.87690618 35.40411562 142.8621891 76.82212644 31.83460684 54.22251096 76.64223441 53.48093245 49.1413269 32.77089811 64.15221974 65.70653612 46.15059809 56.0561787 41.78055977 40.76851337 Dihydrouracil 3.429700854 4.040022496 3.719064374 2.683450718 3.211309995 3.755598891 2.816578621 2.833637068 4.016218389 3.916188027 2.949633888 2.952552408 5.94784794 3.535149174 3.328196192 3.729810225 6.251712018 3.339788152 3.59086317 3.645040211 3.587981518 2.920194435 2.719404917 3.395886908 3.256603932 4.908347535 4.075029382 2.662271746 5.582902418 3.473271892 2.623901742 1.740102798 2.54075792 2.832307414 3.369293358 3.408741928 1.130610876 1.460096085 4.27765674 2.442316955 2.430853523 2.987238675 3.729664517 1.625699694 3.282180336 2.680762142 1.796427643 0.811426714 3.09179982 2.524176614 2.193461388 2.015097807 1.265510477 2.22805848 2.13372557 3.189235634 3.206445837 2.330946836 2.346954443 2.915588706 1.160387188 1.829640775 3.028847963 1.568261863 2.912909728 3.343680253 1.489586131 3.701986261 3.50742125 1.808988513 2.687263876 2.830480797 2.507059724 2.295621891 2.390509357 1.41999198 4.526880705 3.317210988 3.418142365 1.134646738 2.959286192 0.751118901 1.836506992 2.605410324 1.852471646 1.429219244 4.44521879 1.531656991 3.090708949 0.934928469 1.221624606 2.849044946 3.335548017 1.516195932 3.498038396 2.758875971 2.634239539 2.518950889 3.354173801 2.771073483 2.555166173 0.928660264 1.114817091 3.602193265 1.954952289 3.662965751 3.409962928 3.393460518 2.715606172 4.242764553 2.068137269 2.986965207 2.851704306 2.138782974 2.597119785 1.486296755 2.142832407 3.249800186 2.000961073 1.717176306 3.607701248 2.725418202 2.459948343 3.064714481 3.59263012 3.024304838 3.729338795 1.801177364 2.603960183 2.215311088 2.477874984 3.187983699 3.094310368 2.451198587 Tetrahydroneopterin 2.249972766 5.444541689 3.856850192 5.026727596 4.127083014 2.855357987 3.310945271 3.66310717 2.978954318 3.039044582 3.335275699 4.943079175 2.438477903 2.647952838 5.088970961 0.981542205 2.245710006 4.632567852 5.839524655 4.246319163 2.285677186 4.147705395 3.176797846 3.719192861 5.074102336 3.083750768 5.863705612 1.690433913 1.442208376 1.966763922 2.216714453 6.402721857 8.188739857 5.635841778 6.345233334 12.85115508 5.506730231 7.628834523 7.14610782 4.505054482 7.634957385 6.926666257 6.278701133 5.866798823 10.86151368 5.286009572 8.237668861 5.101063145 4.406983627 6.641475487 7.315431776 8.327487418 5.436524094 5.612883889 3.800519941 6.595346796 6.217040014 4.536458147 7.704610184 10.33286475 8.384178975 10.957474 7.720476733 9.626606863 4.116021396 7.828935696 8.474799111 16.52132008 7.540219237 7.563425084 5.61744216 5.36709723 3.719202018 5.919368742 4.84505598 8.902368378 7.641344723 10.59754204 4.530596602 3.533771979 10.97057352 6.244221847 10.92393167 8.0129577 13.37029024 11.94417367 3.466258123 5.347493019 9.217096401 3.822191383 5.836615889 6.269644017 10.34434386 6.158420785 7.2981179 8.440774756 8.826950585 12.20485993 16.06220256 7.804014421 3.8176708 8.214769494 6.661279972 3.283241679 10.48849227 10.84707311 8.26191487 8.066113908 8.498155706 12.6689806 2.982280694 6.642325671 6.445315937 8.034910922 6.144695857 10.56134713 6.858713468 6.52354211 6.222442963 7.337749153 10.419541 12.23285727 5.727105786 13.93641813 5.743389113 3.86056203 11.34680758 2.774038585 8.077644491 5.127543181 8.522804833 10.11518522 7.376148527 9.293661375 Ribothymidine 0.591452813 0.44556576 1.179357692 0.782915499 0.625981041 0.792487333 0.426958073 1.212619888 1.569584405 0.308147945 0.197386754 0.434797702 0.195139194 1.374531783 0.712567941 0.167851005 0.281669757 0.580713618 0.883679565 0.746628118 0.283974909 0.350501493 0.626656469 0.308161226 0.560039668 0.310175509 1.631443736 0.539766756 3.396647976 0.478407427 0.155625166 0.017680756 0.04854552 0.12003152 0.144666066 0.114295321 0.02811831 0.053564588 0.056364471 0.017825723 0.038725861 0.099544753 0.041923958 0.076168424 0.087554321 0.117326402 0.116702515 0.032490134 0.112104683 0.052624718 0.160889828 0.1105534 0.046120451 0.015803817 0.012672705 0.043821956 0.062688403 0.049062378 0.034320332 0.066718122 0.10294656 0.211585922 0.085595814 0.135656028 0.117550029 0.107033095 0.110867876 0.07309486 0.036925332 0.030329136 0.075928929 0.041869721 0.156117164 0.043276472 0.037287276 0.093255705 0.038963628 0.044985736 0.057090745 0.038878981 0.119664111 0.029998075 0.045294455 0.153564987 0.119933751 0.071940787 0.141799093 0.01789604 0.045497268 0.220250693 0.048942884 0.035139049 0.049061214 0.018681327 0.133765736 0.099706938 0.048732428 0.02911926 0.084688434 0.163954671 0.213726006 0.119560557 0.102509483 0.17043662 0.085059797 0.112780504 0.099330594 0.145649706 0.067594907 0.314976823 0.165894295 0.048295679 0.048321296 0.120779771 0.040802333 0.067623977 0.04543186 0.039737095 0.028658737 0.073297378 0.040967299 0.027244579 0.144976107 0.059267612 0.027362787 0.170053835 0.071651822 0.033829403 0.070646529 0.033093567 0.07022484 0.095166464 0.064839576 0.05101113 3-Methylglutaconic acid 7.638710102 7.859356807 10.6296103 7.961003038 7.811187002 3.729963318 6.740675146 0.911112281 1.072186886 8.498452842 7.843347002 10.35458084 0.526773517 9.133890591 8.919253064 9.304267871 1.723994293 7.923754419 9.844957264 8.456989401 0.605912812 15.26824719 7.42733673 7.442662967 7.185951025 7.253407427 6.411806976 8.245908905 5.988378483 8.879760386 7.163747022 7.309345113 21.13064462 10.93128517 11.58936024 12.97113149 7.05041533 16.98719647 13.95514813 22.54777699 10.21484116 19.08472865 12.16838382 15.57117576 12.15720733 25.65405334 11.69336306 13.09079621 8.590451021 13.447218 35.71641999 26.55013084 24.01083182 24.93505938 7.191564531 15.02839804 8.770319024 9.114795027 24.86862675 10.76637199 5.863404095 7.330054038 12.86131066 11.58529094 2.081140886 39.34009405 10.59130229 34.94030355 12.93931173 7.625263249 22.20793004 20.28623911 14.25465995 8.907785727 7.924772156 9.92271146 10.54483227 24.70615824 17.21984741 8.902596032 11.45458997 6.355555712 7.430790842 10.62790197 24.73961965 12.93580794 12.93372237 19.84514081 16.00042857 12.24538507 10.44739779 14.17489672 30.12707318 15.69699476 20.59472802 10.84588567 17.86150889 14.67690058 19.51745216 28.74222368 9.53864022 11.20044259 15.33782834 1.588864017 11.04925585 11.42861277 12.98584226 12.74095635 13.37340353 12.91585483 8.602141229 9.378228874 10.29853595 8.358382324 12.92424819 10.34075613 6.956549612 19.81032279 11.30482489 11.17551501 27.80036867 15.69693698 5.990905323 11.92187962 16.29905674 28.24642083 12.54686183 7.782840754 13.68599885 12.18351937 27.7693813 18.3090298 9.538760429 10.044225 2-Deoxyribonic acid 2.84561052 1.371059026 2.952572607 2.102545598 1.234242137 3.775005648 1.26263101 1.361184795 1.091601213 2.815168455 2.760461793 2.773000973 1.634408472 3.109771578 2.661359899 3.9066626 2.917924787 2.774790854 2.742502614 3.753363587 2.986455352 3.075070778 4.252206803 2.63849715 2.791296959 1.192309209 1.17648486 2.004527184 0.500076053 1.71182264 2.607047725 7.989480179 3.351475332 3.940791884 4.61578027 5.301133962 3.568260343 3.886001882 4.188035459 2.386513872 4.5438551 4.475520729 3.781059547 2.942615304 3.831349621 4.595365576 4.845483846 5.72524173 3.591062147 4.018213139 4.921909401 4.48841722 5.089623152 3.695979914 3.129818873 5.043467998 3.348467489 3.945107549 3.091691306 2.96234335 2.560095352 3.647176243 4.766661285 3.392429921 3.342515697 3.430815075 3.911380412 3.577419692 5.964613666 3.11584055 3.404158656 2.656606533 3.046504111 3.947494944 2.912637373 3.92627809 4.119634208 3.291572536 6.904974781 3.654388974 4.594789159 3.336419399 4.33289083 5.613835826 4.515777603 3.948375332 4.183007523 6.967084457 3.905659143 4.401203917 4.068090249 6.332693245 4.81959779 2.777865312 3.844691878 4.926002857 4.258996056 3.905214109 4.219455173 4.236717113 4.704199855 4.622407892 2.942683357 3.867469318 5.139582809 3.660136308 4.658302431 5.632184995 3.661175262 3.178945894 6.118677306 3.498667074 2.792468804 3.680999167 3.265829426 3.0724059 3.964137395 3.083848162 1.230339914 4.552949234 3.312539807 2.86691142 5.873671034 3.444439385 6.150075056 2.843745749 2.816646726 2.798571395 4.241781068 3.110493069 3.628863071 4.324451496 2.402298129 5.206018812 7b-Hydroxydehydroepiandrosterone 0.136288782 0.408536643 0.064406181 0.295134212 0.251361472 0.144081816 0.312794922 0.143205884 0.114416912 0.228907439 0.228959155 0.83554602 0.100435905 0.315276873 0.54384657 0.007262059 0.131259083 0.381478696 0.71423381 0.344062202 0.07423675 0.262072183 0.413300755 0.184831865 0.318341756 0.045401168 0.155168196 0.027054827 0.045266349 0.05143951 0.005695218 0.844789601 0.529729263 0.552732233 0.499134941 3.189320096 0.510059457 0.810005718 0.532591942 0.321229104 1.681188752 0.426728812 1.030921539 0.442186143 1.266368288 0.587142074 0.614003194 0.03509554 0.370394681 0.672298202 0.564863218 1.0680944 0.176143743 0.345134898 0.28829719 0.366650089 0.666879481 0.530479349 0.839686609 1.447965625 1.02429377 2.226221304 0.633862679 0.704265422 0.247190089 0.705965965 1.237778693 2.67377238 0.877012289 0.851806848 0.270959122 0.364978536 0.014657501 0.887655341 0.634286797 1.102896621 2.08391569 1.340860064 0.049038775 0.113548558 1.087968931 0.580438442 1.703901799 0.690577613 1.651853464 2.074119829 0.246795484 0.007616999 0.952472537 0.029765005 0.280999477 0.182267353 0.985858903 0.49537822 0.385902718 1.24562817 1.51882064 1.338078527 2.157011358 0.670543744 0.035375411 0.948623699 0.555945323 0.026285417 1.628280535 1.513447336 1.388131063 2.456750869 1.758420091 1.922950645 0.016016827 0.818562769 0.779805583 1.229875698 0.571867914 0.916468945 1.312381427 0.558467242 0.537781007 0.784427246 1.567388459 2.680649899 0.21185958 0.959618499 0.0240533 0.090016943 1.775635416 0.047846403 1.939815515 0.489307986 1.732172456 2.030370487 0.911404682 1.160850989 Butyrylcarnitine 2.537200924 3.848501367 0 2.948084601 1.490174195 4.902651713 1.083204141 2.561246474 2.313252356 2.018498603 1.517665244 1.859743471 2.447911788 2.125806995 3.3676865 2.144561491 3.614058677 2.329274102 2.74633999 2.511050879 4.020806272 1.752988682 4.100598843 3.102332901 3.616702804 8.868238019 1.276560369 2.508051376 0.947725773 2.360857722 1.541516931 5.593518451 3.660944782 7.581060616 4.141042723 3.133731385 1.802446275 2.63354196 3.947024653 2.902504308 3.87556122 3.309229595 2.187177635 3.962014182 1.858611377 3.341993361 2.620301199 4.678860098 7.33537494 2.855617324 2.94388955 3.767608452 4.038952332 2.226537274 6.708569211 3.858897693 6.721346542 3.054904029 3.15368216 3.106991735 4.51397619 3.244211254 6.348370944 8.208883591 5.031426965 4.02570999 4.426234 4.414954108 3.522777777 3.448187141 1.106442015 2.804132083 3.149140462 3.10271168 3.334044269 3.509441446 4.895242421 5.044340448 4.564199997 2.135535237 3.974905852 5.191027816 7.027573928 2.152749517 2.909517322 3.749509722 4.098215037 4.177327789 3.939029186 5.064173241 6.298460604 6.636222373 5.82349605 2.109058551 13.32111824 5.745479727 8.076271113 3.148474495 4.3615102 3.229542967 3.200607972 3.464407691 6.874285829 10.68210288 4.406566317 3.014984431 4.048748161 5.128526274 1.98227901 2.789604676 3.950944428 4.245180564 2.772924876 6.25874913 5.543330407 3.454932834 7.177542088 8.381072294 5.606246541 5.576787591 2.06503647 7.918876053 15.61212726 1.018903501 4.093883405 2.788719285 3.187065084 7.379438651 4.149304721 2.672350133 3.32638079 5.736427571 3.010746107 6.025534572 Proline betaine 6.572711373 6.666905801 14.87596011 3.663731997 23.39425705 48.5778721 16.62948362 11.01678945 10.81094902 4.437437989 9.080167806 4.749046287 4.477940823 7.410121443 16.07082102 19.39026084 21.65419445 6.793371896 30.18468876 4.193424925 6.640502772 1.884878881 4.6889629 2.448108878 2.378821413 20.48654639 4.404550832 5.048145563 40.28690608 24.48957979 9.250726635 67.46782784 97.45129443 13.21738608 119.9207142 10.65275248 47.21104062 73.04082804 99.9498093 257.6893244 37.55301987 8.007402308 6.065432609 112.0366942 91.47520755 97.0234327 56.57116548 14.48194877 5.604686517 38.45397074 418.9207832 311.5512595 265.4147058 172.6044214 2.006168596 19.00574829 10.36711529 28.75071009 236.5873939 4.504040701 14.65169443 4.138654645 27.24703858 23.99335829 27.37253869 190.2900309 5.357061402 281.9676173 16.30951899 2.300054866 90.04354521 56.89776993 36.25077034 12.55443141 7.63587865 16.09048493 7.544282668 182.4140511 30.48045863 8.463526951 64.76695352 54.16519423 66.31218949 4.382507291 173.5615035 128.5430098 10.551326 61.01581902 52.06883423 2.025606637 21.19899689 30.11331506 212.2268086 79.29491884 88.30886127 3.799622823 96.18367541 62.019305 79.43284659 315.1268966 2.668818349 128.5230401 10.61896463 21.1070621 39.02698061 48.25414546 24.83146936 42.17211592 7.961009383 28.67689514 80.98568253 11.21638538 3.757619732 4.249371121 13.2937205 19.70595988 3.794839504 76.48540115 22.88089706 43.27825071 106.9478933 23.85746436 77.38619311 122.562189 5.200653924 310.4050064 41.46724026 66.36830327 21.72471156 2.443008667 278.0758272 70.99462177 5.915985943 8.248802442 3,4,5-Trimethoxycinnamic acid 0.34881371 1.084744658 1.173964734 0.734929921 1.00596869 0.655769669 0.820011494 1.139342285 1.164111813 0.710640513 0.588707461 0.579273861 0.692021964 0.589558778 0.774238584 0.714985875 0.42646849 0.344082846 0.431394488 4.291921481 0.483562044 0.824745396 0.393261758 0.315387239 0.689879386 0.388059295 0.442901568 0.72065603 0.654933579 0.383572342 0.464796691 6.990492466 1.29145738 18.69517729 14.13127861 3.828514731 6.768576534 3.158877835 3.105234998 0.607146396 2.370589329 1.039326244 9.254308651 4.296713502 5.829228338 0.56990762 1.801276203 8.327410289 8.622047014 0.801585518 0.656039751 3.197791343 5.664108821 1.045070552 2.845037825 2.326836833 2.339216033 9.174849605 0.845286288 1.045000541 0.575546918 0.427276489 2.361518323 1.453370186 0.673951903 0.964514872 4.871659014 9.360696665 10.98857668 0.594602667 0.506108208 4.565854193 0.637877048 1.21699127 0.758410458 2.313498635 4.72155658 0.514412841 0.394918425 5.35602172 10.98512708 2.832765072 8.953168802 3.828025973 4.971513234 3.395258738 1.445669802 5.077907144 3.505544586 0.826089578 6.891990713 1.854555088 10.4335793 0.46167171 1.90060684 8.652450159 0.849800072 0.552345473 6.380682071 1.031584854 1.215563925 0.545032987 1.50952935 0.954421004 0.710647516 2.107148693 0.927517804 4.873979077 0.351517848 1.528331072 1.4643925 3.8640275 2.729847002 12.31146494 1.414255756 2.716791221 0.336891786 0.738716674 2.325913595 0.274098689 0.356148901 0.82099759 5.029093842 1.753802612 0.412723294 1.063282419 17.89512123 2.696044948 1.682495593 6.821831506 2.002284575 8.399759462 1.386167514 2.521119843 Methylguanidine 15.87575634 43.31678631 22.22387305 27.21191718 25.60179493 58.24122238 24.89299508 18.36730838 19.63637629 69.28764083 50.17505999 118.9562964 36.96913248 40.44658954 52.14409218 36.15074947 24.56964509 26.66519159 40.01180692 56.35181017 24.76421027 28.42455108 34.86517307 30.78605719 35.31399618 18.93054937 31.6659507 56.65003024 26.66842217 19.06205913 19.3619147 48.15637253 45.14110336 118.1002074 122.3087254 113.4578681 52.73391639 79.64320817 66.16714326 56.92247727 55.56045502 94.19942632 84.49240102 30.30999887 80.71705801 93.97400308 73.54318173 44.93740595 42.02381586 49.68925986 143.2527653 67.33760618 46.56976265 58.17801411 47.07564934 67.17960324 53.78393094 47.90811073 56.54334464 60.40332631 39.55745461 58.5669584 111.3202034 106.3605139 64.88919325 100.1513577 91.60239532 109.229668 67.65369736 73.80632007 66.6622162 55.9040683 53.20072824 55.60718652 56.53647951 74.94345071 60.57171398 55.8386652 26.75614748 26.51484181 74.19756372 32.044526 49.2639246 78.70344467 95.64598371 154.0819806 85.78455389 46.81844377 103.1646759 59.90204606 46.86958727 30.22377548 110.8108477 31.7820023 89.60799384 72.4278342 67.30362101 51.09191736 96.29067359 88.58897675 87.56709243 103.8141924 132.4996177 51.51238307 60.59286911 121.1243101 92.14161094 88.64760828 53.79057928 97.60788711 42.78854956 105.6142687 104.0867413 118.9721145 71.73908564 74.75351855 52.02220639 57.41188853 43.63854501 39.0175045 72.27965204 85.88796162 69.43782075 71.30639657 41.48153816 87.94079592 95.7468439 25.47259354 64.40494567 38.19962887 90.22403277 106.7176048 40.29635528 43.12688188 Quinone 1.277303897 1.264073971 1.680561607 1.336628984 1.214748588 1.52460581 1.077320881 0.838885351 0.84799012 1.61435311 1.425945073 1.968940712 0.036321078 1.676970526 1.559181302 1.938351445 0.126475183 1.371332261 1.517635571 1.504790189 1.052209847 2.656912592 1.172822463 1.254268468 1.183577677 1.278527136 1.101813825 1.687246987 0.959946336 1.453861777 1.179465294 1.256047909 2.454205691 2.194819372 2.31955538 2.295471308 1.325239575 2.094410116 2.451626529 1.388377594 1.445606885 3.784853522 2.150626769 1.10496753 2.013823673 3.750809597 2.360430467 2.202856286 1.446535073 2.37300454 2.005597269 1.047284868 1.462571823 1.965138659 1.216096631 2.582021053 1.525596847 1.299424164 1.585719473 1.802265617 0.989005199 1.247375747 2.530308693 2.203422049 2.086451245 4.76526735 2.066780724 2.361592611 2.429014599 1.382496919 2.818578962 3.331136568 3.068716451 1.579086589 1.404490302 1.725751687 1.939821242 1.705548094 2.931168805 1.45768428 2.41663551 1.108854619 1.253378989 1.929354951 2.010310052 2.490104995 2.631671705 3.206438962 2.543559085 2.548302558 1.879304809 2.47469761 2.220911125 1.664682311 2.717259271 1.834640316 1.733126573 1.781813245 2.435177368 2.001629718 2.121694895 2.176394439 2.964760882 2.182586834 1.662355233 2.155999218 2.470978914 2.18091585 2.380940145 2.195747569 1.823928975 1.742944829 1.769972639 1.428406689 2.257174382 1.872058871 1.245544084 2.514181359 1.993462972 1.540441461 3.682631301 2.745651063 1.737860983 1.970112195 2.756589343 2.273455504 2.076538949 1.372266915 2.40552106 2.166979323 1.92907115 2.489376008 1.740315358 1.74847135 N-Glycolylneuraminic acid 0.402652421 0.345204651 0.494350371 0.417403943 0.315830323 0.344137999 0.261223928 0.18631421 0.140168189 0.398889752 0.364906147 0.520983857 0.025798771 0.371264744 0.458964866 0.497865603 0.017207288 0.495082237 0.44190277 0.416436512 0.270978016 1.157872347 0.328877377 0.284583918 0.359838653 0.313067523 0.228445994 0.491145698 0.190228691 0.346146198 0.319495273 0.357433559 1.00439895 0.56880352 0.570985944 0.748434757 0.335425752 0.64941519 0.687178693 0.46594036 0.408318765 1.338803078 0.65203931 0.294372283 0.599288909 1.700301775 0.509040346 0.754323857 0.405577115 0.709215659 0.470606436 0.224572179 0.421985064 0.675662874 0.367242325 1.085794075 0.368319398 0.394393223 0.540044181 0.513686248 0.262081382 0.313705407 0.751281291 0.483929331 0.429932644 2.055485691 0.426051958 0.723810615 0.995732002 0.376213067 1.080351982 1.625343683 1.026298061 0.369760717 0.451286035 0.502071021 0.59686229 0.571880154 1.167362448 0.488010014 0.576737489 0.315616018 0.354069041 0.405884986 0.54691754 0.656363321 0.869948146 1.186240272 0.807457388 0.61128215 0.497174849 0.889572765 0.690296768 0.623918672 0.964713352 0.489282017 0.595643415 0.578974652 0.804965168 0.47692425 0.461251054 0.553960336 0.91157471 0.541619708 0.502976002 0.565639997 0.675032254 0.73692766 1.105047588 0.676310079 0.43414657 0.485349303 0.550285509 0.175106191 0.722955021 0.631367904 0.276970229 0.935044052 0.857993377 0.558082139 1.930637992 1.135461545 0.355944991 0.676639972 1.103613258 0.47454943 0.636139641 0.391754594 0.913242518 0.843848635 0.553615135 0.838407089 0.591133638 0.596918782 1,11-Undecanedicarboxylic acid 1.02002851 0.630593187 0.931136195 0.690394947 0.577004656 1.057388455 0.470661598 0.873238872 3.102963132 0.842467748 0.837543814 0.720956075 0.607755156 0.822001139 2.106718915 1.451088604 1.107916389 1.025773487 1.666313386 1.1868844 0.869558187 0.941858867 0.850538358 1.171968736 1.415551844 0.663899865 1.713672561 0.748158968 12.2326764 1.144231471 0.712182629 0 0.01142382 0.011270383 0.028839176 0.011251432 0.016042446 0.036975472 0.015696569 0 0.034353262 0.017064554 0.019052511 0.003043641 0.014002065 0.013001423 0.007132116 0.024508175 0.005710723 0.026756496 0.036964072 0 0 0.018419514 0.010928215 0.00903117 0.049781862 0.006730072 0 0.041224404 0.020717761 0.016805975 0.030828011 0.026538066 0.024700789 0.018852317 0.022907311 0.016534867 0.015028439 0 0.018741964 0.01164005 0.065559659 0.023213002 0.02096489 0.007960481 0.010000142 0 0.026922855 0.010694276 0.06965273 0.010062367 0 0 0.035481713 0.027642473 0.029730418 0.040254847 0.021228624 0.14465441 0.014206619 0.016927436 0.01193699 0.01598222 0.003363126 0.110454385 0.018798127 0 0.013267387 0.012844228 0.154323515 0.069150223 0.022562448 0.102581937 0.070039609 0 0.018384067 0.020821015 0.012815278 0.004892976 0.084398341 0 0.043086286 0 0.028311969 0 0.0084405 0.019579239 0 0.007864578 0.018989025 0.003971505 0.049719065 0.003602356 0.043947749 0.09923918 0 0.021999892 0 0 0.022322432 0.036343575 0.016503705 0.008823712 L(-)-Sorbose 75.69251383 84.1885538 112.0830311 84.4254961 71.08409248 73.35725582 69.7759004 51.08881141 57.79717398 79.08019475 71.3487537 92.58056125 3.877272416 90.51247206 73.61488659 80.63684142 8.814940929 74.07660142 90.22657097 79.27752942 62.94826245 140.374909 70.01916294 65.01217395 66.63172017 68.90875608 59.47653041 70.8540348 60.49893649 80.2357142 69.51567604 71.19789219 139.5490104 89.21713033 103.5351797 104.1494611 63.52141585 107.0415897 130.7400689 70.996514 82.80274459 163.3053196 118.0759879 58.7230742 118.2389826 175.8611296 95.9105061 117.6047275 84.55655776 126.5534488 91.23378408 57.09460427 92.27178774 111.6377315 68.13166657 148.4420776 80.01311321 78.28789598 95.70800898 100.3505902 50.83806734 66.47588488 101.8002154 99.58044955 99.49625639 228.339404 91.91069064 111.3603889 131.3504429 72.64631334 157.4007854 200.2413198 136.1607021 85.9716088 72.2743488 83.95435018 98.46134236 94.4567726 156.402577 84.07105903 98.51449687 57.18033879 70.20276924 93.52734661 91.33720073 103.7348776 126.304461 185.1129662 135.7506365 91.26238046 93.72999236 125.4235521 119.6931118 92.38559432 131.4370969 104.3310579 102.0230048 91.16564995 125.7170711 92.80768048 86.27194543 93.41841773 127.8206386 84.99841854 76.72665401 102.4369729 100.2918211 104.5286038 116.7799865 113.0110584 73.2156096 85.05576122 89.41676911 69.15934951 128.8198568 88.71690999 64.93523088 130.5234857 111.5279042 81.33911818 202.3666258 136.5715699 76.27468636 107.4506424 139.8677599 104.4643836 107.7250861 73.54853875 121.1157671 112.3788679 98.41788201 113.5040267 80.91666877 88.87864584 Estradiol-17beta 3-sulfate 0.638460392 0.832997193 0.962189681 0.593950252 0.674070291 0.812394555 0.720065031 0.61509741 0.545993126 0.863834272 0.708163248 0.971388561 0.878820664 0.984435374 0.906066429 0.9380922 0.773900041 0.694375279 0.83582321 0.890485523 0.677244705 0.62085894 0.763119289 0.848230571 0.702592092 0.503793833 0.803693282 0.705931672 0.637192509 0.772552312 0.598764418 0.658224333 0.619653756 1.245900303 1.126702561 1.214535249 0.804178861 0.99730249 1.371618132 0.341564598 0.78703048 1.184396581 1.286059752 0.521037962 1.312905247 0.967020173 1.277339388 1.027891756 0.800225971 1.030087657 1.181793113 0.830645633 0.793704979 0.757658547 0.353232203 0.835632382 0.814370852 0.546568498 0.844783568 0.886737344 0.399045453 0.702697219 1.04097582 1.592454619 1.218697745 1.415711857 1.244488874 1.411352323 0.826376537 0.813566448 0.962860698 1.061219082 1.464070155 1.010961739 0.680255137 0.958418582 0.952256631 1.114022328 1.10346005 0.508009043 1.239274212 0.435570822 0.643457726 1.213219336 1.280601822 1.236274265 0.953291532 1.235504716 1.3476974 0.98867816 0.886188352 1.087685933 1.141745064 0.353141624 0.960794091 1.125949146 0.772452375 0.678303472 1.29150141 1.09823397 1.053296816 1.339808484 1.251590736 1.047515692 1.080571135 1.305504376 1.366058868 1.614963199 0.71065211 1.332225286 0.862496936 1.140522683 0.930046465 1.349831675 1.030902788 0.866146896 0.745368862 0.998377629 0.573649919 0.695347493 0.948732417 0.966924751 0.959216148 1.02928939 0.939054668 1.402598736 1.076352206 0.55540682 1.058378574 0.62277458 1.059328981 1.270685562 0.793241632 0.891166125 Dimethyl sulfoxide 657.0664243 370.0947913 857.5157441 597.9735449 693.4463419 1074.939421 797.8024551 723.8075004 625.9026535 1189.553698 944.5831614 1262.393266 1085.780057 1174.577158 1146.106529 1540.321778 863.6959909 759.9029412 876.7699857 941.4540671 700.7576731 698.4532272 755.3858415 833.1786237 682.4363663 698.173774 804.8637735 1080.756984 687.9713423 824.1297889 647.071147 671.3561056 1202.377335 1506.413871 1514.804165 1195.310896 809.1898179 950.0140312 1381.970732 595.2528916 773.0737709 1309.295686 1040.473575 712.666695 1147.232801 1046.126834 1372.383305 986.3941331 800.6415988 1054.556624 1440.631005 739.5484818 816.5891069 765.2055096 607.1922027 926.2310343 918.5812189 753.5557844 973.7385684 980.7295208 675.5818852 840.740437 1315.043378 1542.603194 1543.322444 1316.513802 1409.812434 1293.747445 835.5880174 833.4712277 1052.045159 819.5279635 1520.894082 1065.958996 769.0462209 994.656294 880.0739902 1033.876132 995.4702288 679.4265454 1475.924599 661.2451555 696.2962769 1415.324 1369.269611 1537.166481 1267.806727 1172.760412 1203.204422 1634.479684 992.7833284 937.9374401 3.605057502 556.3692528 1268.271175 1097.197683 886.3710451 724.2549349 1245.802244 1422.205272 1708.422876 1385.42657 1494.850627 1554.963103 1031.894705 1409.614559 1468.080793 1118.306989 703.1092278 1511.94846 1487.672981 1133.915309 1003.9586 1355.285043 934.7624318 805.3278145 791.0120913 974.8669091 588.3891421 670.790103 876.1029908 874.7870531 1318.702789 993.3190877 908.475516 1633.042375 970.1026804 735.34699 691.6426927 758.0366124 1222.705887 1352.93911 857.0696737 871.2998012 2,4-Dichlorophenol 9.733079108 4.179867996 13.07300008 9.417464719 10.72363809 12.55806655 11.52437135 11.59632645 9.86787755 12.87169457 10.63895071 15.06875442 11.87019764 14.15774022 15.11673123 14.05976746 11.52823107 9.786272123 12.02485223 16.87543774 10.6879894 12.08987773 14.01526695 14.16666648 12.38028131 10.53400416 15.51383713 12.66723001 12.92275127 15.77699622 10.57962779 11.19890145 14.60378794 17.69794096 17.26898532 15.9861982 13.97140517 16.63789432 20.13278818 8.691240441 11.99003597 16.38109662 18.60439382 11.04603819 17.45382214 13.19559217 18.94965267 17.16785156 12.01930727 15.54017768 16.69597154 11.34095546 12.43426941 11.74583238 9.517798437 13.32830838 13.31841964 10.77680793 14.54431369 15.04198745 10.74692653 13.11828198 15.68717437 17.15815417 18.93188051 16.58270554 19.09161041 16.99103146 13.80531632 14.32722992 17.53662398 15.10509839 15.36982487 18.36776256 13.22021355 18.70557064 16.63815028 17.4981436 17.78279126 12.42887567 17.36636355 9.893846336 11.47106807 18.8442962 18.02754256 19.46738727 12.38289785 19.95665508 22.25347367 17.16359072 18.35897407 17.46943459 0.145824363 8.946042262 14.69753183 16.84378681 13.08053784 11.30656226 19.09001137 15.71749857 16.74987939 16.45736529 18.25631424 15.63336206 14.2349173 17.93215521 21.12084613 14.77802547 9.498489857 18.95527386 15.12815222 15.62141938 16.50305461 26.11810894 17.09346441 12.66618648 13.8159271 17.26282902 11.01048535 10.41057498 16.51363825 16.47555131 14.77496644 15.68874585 16.65886528 15.55950935 18.45870088 12.69614855 11.97399673 12.61459492 15.11177176 18.18468724 11.46647294 15.79367278 Riboflavin 0.910799371 0.423196037 0.841637199 0.494238399 0.424878461 0.563795549 0.376988726 0.323173174 0.436874677 0.501110079 0.716261411 0.419159289 0.639276449 0.55129821 0.462540077 0.742851696 0.442512354 0.684302526 0.480378172 0.279797713 0.499319277 0.485980705 0.40031835 0.406959505 0.430940826 0.403427927 0.420718516 0.49872936 0.386288573 0.345757144 0.728164652 0.347689516 0.434235545 2.685041676 1.28263809 1.25567911 0.920518887 1.245709399 1.077932945 0.596981528 0.733258534 1.192367376 1.283545996 0.161965049 0.366376187 1.853377854 0.760975352 1.433566731 0.212273735 0.893154446 1.475757869 0.25735899 1.909219639 0.348209385 1.478337612 0.490271776 0.692396241 0.499103337 0.465494806 0.565677238 0.222907815 0.245800725 0.69725423 1.022519826 1.034429387 0.968836352 0.870896639 1.107169102 1.067803084 0.630478346 0.165401543 0.669601585 0.970046367 0.9326725 0.412333874 0.58549865 1.1377892 0.999476693 1.024245348 0.674876656 2.076050836 0.699816323 0.360042642 0.421472371 1.52793816 1.635633567 2.091462141 1.128780944 0.610383739 1.185000664 0.698718172 0.816032443 1.011155081 0.912137147 0.678912789 0.454637931 0.471406446 0.53418331 1.046765506 0.485782652 0.832267349 1.37249255 1.452038298 0.501969138 0.345651694 0.255709056 1.180830925 1.205207571 0.845611284 1.789598026 0.691461909 1.247192326 1.553155368 0.818659514 0.601495888 0.555912941 0.814004919 1.155698444 0.46062551 0.254080566 1.827409134 0.785303635 0.716313637 1.222712305 0.642009931 2.341356387 0.873788623 0.553385953 0.890182039 0.464670734 0.747356514 0.682912476 3.210364745 1.021408522 Urea 95.06105886 100.2528238 78.54861812 71.29030555 88.84612634 162.7623774 74.76164921 74.42184919 74.04268835 167.554528 100.6583265 111.4906504 122.4874248 89.79294017 117.9766567 185.0966999 83.55055287 110.5509811 123.4512707 80.68800263 103.9698409 48.17535595 82.26222038 111.3267134 78.32474865 125.0883983 59.26394407 102.0073864 75.39844335 76.1826243 66.45273459 91.80014319 93.03888072 156.9565333 167.8223095 95.74437952 64.57666624 92.71245711 126.4155933 58.31767684 96.52354458 131.7713619 84.8727181 64.6317593 127.6637684 113.5566206 108.174114 90.22182418 125.2279309 114.2796644 139.3111021 74.76591662 76.9917156 76.34020054 59.87783954 119.1471122 122.8984508 111.3865046 99.8945014 122.098513 69.82132937 90.57819369 141.1545073 178.7411406 230.3789202 155.1879228 166.0078372 118.2826753 112.2513662 125.1740513 82.30330168 113.6388905 199.5676688 145.2943507 72.67824854 73.40643233 99.78020052 115.4461992 117.5880474 75.24287501 157.55209 78.24339299 96.17291743 205.6766115 106.485911 99.88765966 216.5028934 157.29836 103.4385611 231.7942648 101.8387401 121.5616373 108.2337475 57.6351679 169.0377318 139.8676298 71.42414031 96.52910311 119.244216 139.3599874 155.5880919 125.1702047 157.9308388 160.8058103 98.56871932 137.9880597 115.9597417 138.6029043 86.94751481 216.4436364 165.3986998 103.0731363 62.7893533 104.8331403 109.0659346 81.77672641 122.4544568 82.97054853 70.69540246 79.75936843 98.09816526 86.70868524 163.692741 55.76782668 88.09536723 199.1959446 90.36485124 73.44003431 92.70565046 67.89055306 120.5303366 116.8223134 79.10176518 104.1005271 Estrone sulfate 1.223757289 0.796417463 0.855346301 1.858132365 1.431253559 0.860208826 1.144451788 0.820500884 0.793773239 0.774459248 0.970347714 0.82033379 0.661423193 0.649820618 0.970253073 0.035557748 0.286922383 1.044594689 1.044170238 1.45335659 0.320026169 0.004876979 0.805691785 1.232940503 0.693503487 0.20679218 0.828164911 0.549353709 0.676307649 0.590695952 0.989518976 0.762338101 0 2.433864745 0.419642564 0.658646084 0.58439708 0.314273107 1.222573993 0.592680516 0.49029421 0.082865737 0.7251222 0.56720644 1.301001723 0.072926189 1.023356599 0.290481889 1.476303338 1.298481263 0.713455903 0.146335802 0 0.836667306 0.501684863 0.485301222 1.028281801 0.132501006 0.813642762 1.415280432 0.428916914 1.396237613 0.891404425 0.132373817 0.801527677 0 0.7951223 0.313654854 0.003187801 0.70972407 0.043069279 0.009718198 0.004697342 0.939649061 0.392615716 0.408011137 0.503623299 0.451138425 0.511972181 0.276058926 0.058321579 0.345671732 0.985819676 0.472794111 0.404440638 0.55661314 0.262298425 0.238354827 0.741387574 0.81729854 0.711627934 0.335630274 0.701517772 0.243005468 0.510916907 1.188327821 0.449057448 0.794398386 0.695186022 0.151043585 0.948732049 0.387547422 0.216676234 1.10675252 0.772886672 1.042621925 0.503451587 0.014817555 0.005295616 0.520724974 0.457680905 0.892975866 0.908872156 0.502766894 0.454034942 0.447715379 0.398627217 0.785060712 0.077027425 0.49887876 0.007729886 0.09342994 0.114701191 0.603263284 0.296469446 0 1.228496469 0.284041078 0.787525008 0.094822874 0.02380772 0.477694452 0.488304824 0.43159284 Indoxyl 0.959677127 3.355155932 3.237499713 2.997539266 4.846974195 2.568093801 5.373537027 2.27919374 3.604305153 1.701266851 2.160413733 10.55939326 2.187782968 0.920111455 4.450467339 0.593812039 3.60635085 1.860204141 3.437220727 1.61448244 0.585920283 1.189311296 0.910956153 1.687510134 1.707289555 1.014530648 3.248481103 0.64168359 0.784097055 0.9168106 1.431877886 2.40690597 2.086416784 1.118226535 1.445102723 6.306967364 0.589181066 0.763857613 1.054277131 1.199452752 1.859618743 1.591318789 0.967594922 0.679240377 2.257151848 0.88404383 1.696901385 0.892595 1.116703696 0.752314295 1.941622044 2.281882049 0.746990433 0.944038827 1.324909792 2.062509886 1.742497128 2.005148566 2.079305677 1.690251329 1.920729688 2.803967801 2.113391548 2.94208021 0.723174845 3.141115954 3.302611896 3.709850582 1.003458144 0.78480782 0.551363282 0.835699972 0.665128557 0.63657911 0.831633613 1.379541685 1.376384797 1.115540658 0.437694873 0.467906742 1.477865265 1.296815909 1.812205372 1.362669293 2.054318095 5.969075111 0.68602141 0.855226766 1.206558556 0.914965084 0.852115866 0.825231702 2.876684142 0.874069856 0.857513794 2.167492858 2.576272377 2.068273609 4.918983682 1.053437173 0.869121843 2.255368241 3.286124231 0.68414058 2.065057265 3.513491686 2.292672112 3.410578248 1.09014879 2.740702703 0.658163458 0.601074571 0.714549632 0.645304536 1.046659894 1.97885729 1.270336998 1.005045205 0.39494031 1.123462592 1.664140425 1.684442088 1.275301762 1.539407113 0.55951512 0.71211761 1.625665694 0.288834095 1.381492484 0.807433431 2.598459208 1.763344374 0.88378359 1.544323746 Testosterone 0.429942794 0.448630848 0.296293882 0.768630137 0.458313877 0.661555712 0.335606164 0.399669223 0.324445361 0.344205203 0.231346258 0.323169732 0.387578969 0.426803446 0.335040743 0.274929254 0.256045408 0.389126703 0.373171835 0.334350619 0.536710342 0.159640109 0.287298105 0.348959858 0.297852255 0.717787101 0.745642391 0.600661797 0.168674325 0.424986422 0.217100846 0.177960317 1.22546076 1.760393352 1.242755721 2.441140607 0.477561554 0.526906004 2.390768592 1.478223575 0.507830579 0.771357016 0.882745538 0.728606284 0.548356037 0.538633199 1.259560315 0.557082508 2.246046575 0.743834952 0.268775171 0.636955529 0.224911369 0.760745421 0.481237853 1.295323686 5.539790613 1.10313033 0.593264841 1.725234123 0.432345464 1.263185473 0.496089076 0.24177009 1.003642011 1.479261703 2.049892888 1.91429275 0.263871305 0.528527054 1.589413444 0.779122915 0.668173172 2.286328543 0.793572779 0.426468052 0.330988444 1.062889999 1.410175569 1.331414093 2.658125645 0.464061798 0.333034909 1.047495578 0.285951895 1.137166748 0.57234737 0.846473659 0.378639504 1.090659318 1.521599453 0.467588453 0.547645697 0.310203046 3.205965719 1.062639731 2.73149755 0.487770271 1.066945138 0.807585578 0.784225703 11.23684683 5.956751578 0.93347341 0.432256664 0.683730629 1.346791974 1.086353724 0.376654314 2.586826178 0.584095221 0.77653094 0.676926246 0.455693477 0.284506831 0.633196356 1.011786629 0.943302903 0.518001646 1.69541995 1.88637447 0.64369169 0.472146176 0.330090555 0.497394297 0.948926559 1.868849153 3.164519067 4.858752277 1.448501145 0.294768417 1.207205783 1.767756531 0.878976559 LysoPC(16:0) 857.4404411 957.374417 13.91885649 903.8381294 1105.395663 4.275236143 1287.178391 1009.611172 909.2688915 17.08668007 15.97234389 15.71083308 15.06568608 6.018741602 44.44607932 21.76131442 70.56970774 26.34880924 114.8634963 7.628551158 879.1191794 490.31462 608.3065829 960.1794763 875.1660721 948.9180685 670.7637432 21.22495593 828.8308104 1149.271014 1037.085685 729.2071208 1171.467707 61.43282132 19.19612216 115.8245391 1852.85864 786.0714471 20.41060701 2359.317093 901.0187603 34.7833396 1638.542258 2390.073249 15.0644945 26.81821793 23.42870899 908.9679374 1386.397654 852.653592 20.70209915 1193.889381 1049.863182 1174.364645 2765.905058 1045.542153 1097.136192 1827.250059 1270.773524 968.7418163 2470.753656 1287.257736 19.64759741 21.94748931 22.26677841 90.28594393 28.70081416 114.6805977 827.3590376 2015.296596 1084.71787 1023.748851 40.62898494 1168.702156 2337.202501 1230.168805 1134.173952 830.230299 14.5976773 2188.13135 36.08588715 2456.843158 1486.601938 32.54197026 153.9966011 32.94386808 56.99850151 18.1415734 18.81764116 0.967938532 1165.257982 10.39876787 1439.27068 2189.955258 14.35672636 13.69730886 1363.622312 1592.052717 17.59177644 33.71211029 6.713237894 8.11846459 20.99670659 15.73647271 194.462343 52.52174407 201.9116652 7.672204259 2183.380115 345.0670022 27.53993818 1407.707523 940.6679597 15.18943631 1138.425984 1964.106914 1114.028562 931.4522263 2456.812771 1853.655275 1104.961403 918.0388202 16.79292855 1522.29611 1112.300555 27.48963557 1053.031029 2232.174966 1186.849409 2042.810045 38.85938948 42.76661057 2145.460973 1316.829846 B-Sulfinyl pyruvate 0.756614141 0.849665881 1.164881707 0.726390981 0.677511164 0.680472127 0.880044341 0.914321458 0.738991384 0.850190025 0.592703075 0.838506776 1.195126457 0.741951383 0.884901507 0.696360752 0.750670335 0.840777464 0.807387802 0.944774822 0.694292494 0.562070376 0.702820376 0.82914397 0.822717536 0.860815247 0.868023318 2.065465591 0.463769945 0.837901375 0.623717842 0.74862547 0.981511181 1.025696986 1.075824152 1.231944248 0.81572038 1.126375528 1.467938593 0.66747551 0.802339406 0.978701437 1.04458031 0.773072945 1.365785665 0.88168086 1.200034088 1.078933633 1.086132983 1.011956374 1.206835647 1.008918506 1.001164332 0.813159549 0.609148187 1.055546946 0.996495199 0.731338255 0.913907882 0.805344597 0.775080557 0.968303099 0.921316968 1.203738193 1.296061872 0.89290492 1.174248386 0.999230086 0.888309484 0.720720749 0.940800065 1.137245973 1.079782899 1.143116917 0.756276173 1.099422352 1.021000159 1.155716022 1.06495079 0.92530897 1.173367623 0.610169063 0.686494927 1.34349676 1.148324769 1.097351189 0.909448674 1.607358934 1.315529065 1.068226226 1.210974211 1.171236357 1.225945695 0.614055686 0.966269405 1.001721126 0.907412047 0.937808639 1.393051158 1.330759361 1.026789929 1.040063198 1.138642744 0.9751593 0.760188736 1.231311986 1.07244979 1.029719915 0.730067641 1.288443283 1.035596599 0.991440709 0.954578886 1.411013992 1.168741372 0.948774103 0.887419127 1.14001075 0.694749812 0.829321879 1.061122069 0.99741316 0.93694401 1.308089629 1.324716685 1.041660298 1.157806835 0.751866602 1.144828348 0.822657096 0.981625363 1.112318347 0.913864713 0.891158638 2-Hydroxy-2-methylbutyric acid 6.042707502 2.052240084 8.651189344 6.253104461 6.796728192 5.521720541 7.672841068 7.059511995 6.652259207 6.149668177 5.068843644 7.121613811 6.448949205 7.209443636 7.476312156 6.204396878 6.233949659 5.377873078 6.66512683 7.596049813 6.033296342 6.478540946 7.837211349 6.732179026 5.772164911 5.736864584 7.071739095 5.027917623 7.034899692 8.11121852 5.903415348 7.582721641 16.16499165 7.354329781 7.459695575 8.448489105 6.764153171 7.956826806 11.45656626 6.04985466 7.914902922 7.58574253 8.666765587 6.465861012 10.59888562 5.540329005 8.194106446 9.174352074 7.00137136 9.777257578 6.876093884 6.34091833 7.892483435 7.404186727 5.961884228 8.736772609 9.375631474 7.577939665 9.190485078 9.725769509 6.681919495 8.477823021 6.775042538 7.880789789 8.537161487 7.862530553 8.825352918 8.818307334 6.741728718 6.160787694 8.756091366 6.615556139 6.407995905 8.908187476 5.89634756 8.647032401 7.906410368 9.68698208 9.019296915 6.415898308 8.684919604 6.749925305 6.606350246 7.912902296 8.571938801 9.623258237 5.797211599 9.949344761 9.550995631 6.23681009 8.645240306 9.209832595 0.829359921 5.886502809 6.626319243 10.93872678 8.687822368 6.61966169 12.61630567 7.122991169 6.746440346 7.243533015 8.309638532 6.142206525 6.646699775 8.219916502 9.089553955 7.586674864 4.975354198 10.11152024 6.400753145 8.498900661 7.858162336 10.8227738 7.365825885 6.218202093 6.641474572 8.858273039 5.56062056 5.67650274 7.977172432 8.143558533 5.537636266 8.326560771 7.822592133 5.874648726 8.119264293 7.008894186 5.511915483 7.778969305 7.681328387 9.181337381 5.813326955 7.751642394 cis-5-Tetradecenoylcarnitine 2.605635064 5.098549716 3.763343512 6.163514796 7.51864728 4.139542051 4.890596978 3.835346046 2.988887382 2.122398266 1.377103288 1.700433992 2.93623247 2.911731868 0.533640963 0.637371224 1.135963688 2.323504519 2.830467879 3.651316821 4.786373931 3.007693283 3.101787323 5.003532733 3.864593629 4.929370585 12.222237 2.492968658 1.651199223 3.002623807 2.624806535 1.598031713 6.656948019 6.492679459 3.449761109 13.30777989 2.474114926 3.989134796 13.21701653 6.892241414 3.484082133 2.692021108 7.055669921 5.562504402 4.167177781 1.653607853 7.700366898 4.22330898 14.79883011 6.086578718 1.327694105 4.893316528 2.93902694 6.163917427 2.781358814 7.820026402 19.21946532 9.306203248 4.872133011 12.81495127 4.20022179 6.423860739 2.38992209 0.398293365 3.154253306 6.236119835 5.922814191 14.35382983 2.614495362 5.059152734 8.446686615 9.327712653 1.622752104 15.29117373 3.813108007 3.544511048 3.065752353 6.564026782 19.75984159 8.653770698 11.53008083 2.57157079 2.567870463 6.172466485 1.08290475 2.836976598 1.387202939 6.031932535 3.976052819 6.791614663 8.877542315 5.845120877 4.950626895 1.605225328 3.616480936 14.86601032 9.629855022 3.972858509 6.866944941 2.470942279 2.207969727 7.814301208 13.17505956 4.571278326 1.510712261 7.832462769 8.675105185 6.995239561 2.656194797 7.791395752 1.928669394 5.876365384 5.306537865 4.463079288 2.801601116 7.497799163 4.737959098 6.851912962 3.738678596 8.54590441 11.13225954 7.02176026 3.317318936 3.31429752 5.590345726 1.535658642 14.72175506 10.38925598 11.57712132 5.750458862 1.217206622 8.233323293 7.359298209 6.958301137 Progesterone 1.200411664 1.195794141 0.766362857 1.699563568 1.422308707 1.02538724 0.944501246 1.109869565 0.988678257 0.735959021 0.580630698 0.651785567 0.68249173 0.672036331 0.35695329 0.237412584 0.596026153 1.00482784 0.824359538 0.849905353 1.017302329 0.448188631 0.54070839 0.965058927 0.884150638 2.231539468 0.919591874 0.710418569 0.48209081 0.715591 0.639469425 0.46864421 1.70415893 1.896265147 2.58716695 2.749385154 0.715963296 0.931295131 4.455688885 1.447295771 0.74169163 1.397118153 1.576712654 1.433334239 1.127744994 0.689743669 1.697962571 1.087398923 3.835011997 1.43499183 0.586222489 1.16934263 0.488404457 1.441449759 0.495863441 2.55092083 3.650778044 1.561965095 1.080187351 2.592432217 0.556659659 2.55517519 0.741848418 0.290246762 1.371850236 2.38711649 2.7301986 3.195813092 0.442441044 1.17585146 2.563664956 1.170176081 1.02342734 3.086357706 1.113123594 0.487655031 0.52096049 2.059273247 1.845887618 1.764011034 4.652825278 0.77922035 0.55031363 1.441611482 0.600341073 1.74783555 0.863467343 1.339372901 0.682831662 1.566703402 2.9647096 1.016024307 1.557803391 0.275529062 1.440313972 2.184768819 3.208986194 1.180573382 2.127768393 1.524970914 1.240603098 1.742917607 2.752277526 1.581132717 0.697112587 1.040275665 2.092651038 1.79518302 0.720500511 1.462064406 0.991965465 1.270255176 0.9436334 0.972433993 0.547485503 1.551206017 1.441693913 2.073918868 0.895051452 2.202145283 3.308654652 1.044156999 1.029181955 0.582139976 0.941946619 0.76833179 3.502272815 3.148292179 3.303369349 1.580333143 0.563259974 1.708280592 2.156382218 1.130249669 Betaine 588.4063636 496.822793 810.8740652 639.900301 545.093091 659.2560941 476.8908957 527.0802369 591.459522 576.6028806 571.2629821 510.6282226 681.2524187 568.4670324 631.9997312 522.3040045 745.1728536 562.9286596 705.7095329 568.705621 611.4796312 591.1993025 698.9271182 644.3051671 612.6892081 649.2897924 532.5658142 636.422898 589.1015428 503.8388865 512.9376817 759.0409116 429.8597547 580.9557671 581.3907079 550.781308 435.695775 593.4822847 357.7012867 501.9778785 680.2221404 683.1569557 402.3822087 390.4246113 524.8969246 770.8643947 662.2304382 476.3566983 492.2340892 518.7677785 505.2684737 541.7139837 583.1353814 554.0062271 367.4877853 510.5800875 488.4458887 442.2455202 497.5641626 563.5069501 428.2697163 488.5156249 657.7140466 477.7127613 649.3878522 582.5732436 726.6779535 441.5246639 663.2548797 404.1721178 478.0668526 622.3491772 684.0515394 479.9441309 386.8160951 576.1111008 623.3286078 542.8206474 543.7389483 409.9333009 576.6467075 382.4876493 625.7425365 671.7849918 613.9700598 608.7072223 666.7114146 426.5339582 628.9197821 619.4072301 487.2126255 853.7879523 474.216893 573.3897621 671.247598 657.1266557 526.6722452 572.4085013 561.8775795 457.4353532 604.8961624 542.2898133 573.5556746 618.4460295 789.0477326 577.0785027 511.0214559 583.1144578 412.8538624 357.5404159 694.5757355 427.0235453 471.3798714 598.1110341 663.7742043 378.4313636 691.6944175 669.0117036 579.565499 405.9053454 478.9068489 585.2170801 582.8646759 332.3210306 411.4168788 531.4313016 499.7482174 354.8376485 649.1351078 518.4311445 647.8539496 659.0622083 326.1992608 491.4389854 Pipecolic acid 32.040262 16.44208698 12.60930849 9.349960573 13.47842444 8.660977757 10.17422019 36.88459825 30.51472832 11.8876239 10.11336162 7.308295623 7.755697458 9.722829043 14.13377489 15.30316688 11.71675256 30.99500142 10.38472988 7.634832829 11.60168764 4.092706767 7.519444782 11.38385129 14.1219707 7.007045997 15.35881189 12.30738845 8.616479685 26.34349625 9.179751983 14.2033543 19.41591339 27.44757821 26.80732192 15.81728302 11.80483828 31.72762443 17.72774248 28.2918068 12.93178969 12.06191701 10.07163243 22.24787547 24.81086339 14.64705985 30.75470364 12.93753739 15.47459223 18.88227333 44.74917718 31.56104262 38.21279526 33.26470133 10.08001658 12.40340456 13.50542312 15.78347484 25.30039776 14.13230167 28.99267752 9.925925688 15.64172984 16.39897204 14.4333283 28.20601159 17.08414351 37.65767638 16.95884498 10.41298412 17.24845647 12.0862614 33.543559 14.22641633 17.20165155 35.23892717 25.15944655 25.4562049 14.98091004 17.60167999 20.68854288 16.97913189 20.95786468 13.61507525 60.64923438 33.84915949 17.90454052 37.61723891 24.93542276 18.14763033 19.93840008 39.18382204 78.76978402 21.34301268 25.81505295 8.53895568 18.35282202 10.49303714 24.88206451 76.90909887 23.00120196 21.74001361 14.09245662 23.98904043 26.56232706 25.01249476 13.17802977 13.99147849 31.15956036 25.38876117 17.02688463 28.19925467 27.97253661 35.15980806 13.96290319 12.37566893 14.41243325 27.66867289 8.457873043 17.59388445 40.24170019 10.84780429 21.83786398 53.37281783 11.10788836 38.97979023 11.11607658 21.69573624 20.18619134 12.9183209 29.35463529 21.44638287 10.99573492 10.01565384 Histidylproline diketopiperazine 3.053235987 2.997036897 4.441431438 3.331845849 2.80346107 3.392289387 2.703852856 2.830267948 2.284352348 2.67271141 2.465096095 3.986565106 1.395880882 1.544226203 2.851990575 1.831871631 1.588535321 2.835037302 3.007313867 2.549169518 3.043013913 2.81156023 3.547929083 1.86738617 3.040081728 1.412482921 2.786551447 1.416244894 1.166181592 2.611310169 2.740074596 4.036411066 2.609059344 2.618227644 3.726270127 4.05541704 4.033911093 4.553285566 4.200343946 2.070216696 5.246090966 3.846712522 3.547491457 2.41027018 3.843855373 0.957165362 3.127254998 4.784791956 2.392360991 4.831619258 3.157253072 3.22801402 2.924532889 2.716292012 2.315909484 4.549188733 3.823827485 2.397857101 4.221889943 3.827546534 2.827922614 2.61568259 4.619818798 3.719342534 4.100388931 4.807368527 4.177922872 2.767205214 4.993797515 2.879628918 2.405936578 4.603048384 3.078559733 3.66562238 1.997748823 3.368592558 2.977330113 3.30734558 2.852359436 2.609449213 4.408016058 4.087148231 4.080864446 3.79406353 6.481304624 4.470512293 4.38622308 5.054888976 3.808537867 4.477956899 5.327505006 4.621452487 3.918112201 1.350963038 2.556958596 5.11895062 2.260972071 3.299363988 3.477034002 3.099365738 2.909435316 6.712313861 2.145480987 2.131757066 3.694966578 3.77170874 4.15446399 2.679661275 2.920107888 3.279025312 3.21673551 2.941772227 2.621535626 4.232904664 4.227563511 2.257095897 2.412419964 3.2225236 1.32924399 1.901947526 1.878181213 4.496723711 2.900737636 3.014885554 3.645532746 2.911713929 3.217569355 2.339326507 4.234864714 2.573378211 3.212293647 4.04407968 2.253113023 3.92820984 Dodecanoylcarnitine 2.253118544 4.470098722 2.252868756 3.621521874 3.914791045 3.103017538 2.521182499 2.514770772 2.47566596 1.76273448 1.201572168 1.942345912 2.052537512 2.603392101 0.803175081 0.567203477 1.535639893 1.906968921 1.780308292 1.784152736 3.831265453 1.468914442 2.369541018 2.555157176 2.327813264 4.224234902 5.481130981 2.702203341 1.47870546 1.590409038 1.323173643 0.83720484 5.265575667 5.455328208 2.358776853 8.917913982 0.75665893 1.95644652 9.795044757 4.901342345 2.574974354 3.853830754 3.758736614 3.236208441 2.149840697 1.859134479 4.544454499 1.835739415 12.65232069 4.29391194 1.10025122 3.077622545 1.513548349 4.280960119 2.337791898 5.821970252 10.1107811 8.551474176 3.182615998 7.98432041 2.156451316 4.176033506 3.940620196 2.106058957 2.662138453 5.949248734 4.876262028 6.693092147 0.661442776 2.17596931 5.30227996 4.273226259 2.319932072 10.58477964 1.701697494 1.688875264 1.513484288 5.437559784 12.93678077 5.173386064 7.762710147 1.539099063 1.919296255 4.00864092 1.030887163 2.062959571 2.313240795 4.027613933 2.44731743 3.73967965 6.013771178 4.378973062 3.278307973 1.022955268 2.151612439 8.624449738 7.76711829 3.106561189 5.402912207 2.915149207 1.818631909 6.234818107 13.40837316 3.239230865 1.677552473 4.198520445 4.785119263 5.223822316 1.45643187 2.525757397 1.851346384 2.7703263 3.079565543 1.593580199 0.706543924 3.309726122 3.638173035 4.806385689 1.627770921 4.828164156 8.462352514 3.304715503 1.995900188 1.480647845 3.519255383 1.75699187 11.75258279 6.927985012 9.505114048 5.009394257 1.319852269 5.639279927 4.238192908 3.488862401 Cytidine 0.435438064 0.513230117 0.505627149 0.432275573 0.467264632 0.228149171 0.415003991 0.729396621 1.631778956 0.332850413 0.652616875 0.418618984 2.554900203 0.501255046 0.253313223 0.28971642 1.4756097 0.385523149 0.443818863 0.565142675 1.471946436 0.533630651 0.498863478 1.272826712 0.515869365 0.640370334 0.600192921 0.504058612 4.143274242 0.403024246 0.795696492 0.098350056 0.25582865 0.249208176 0.149615551 0.225239967 0.30052625 0.328279282 0.636339899 0.105185694 0.202204427 0.607546035 0.318618568 0.237396894 0.339852141 0.225502254 0.458577279 0.47284793 0.389616348 0.342593471 0 0.103662058 0.090818906 0.245912373 0.15212032 0.249765303 0.393275273 0.341105379 0.149398951 0.424674878 0.212133075 0.627530034 0.204060525 0.39764913 0.527619929 0.619116432 0.370442103 0.137672221 0.145439457 0.194429616 0.617889558 0.697028918 0.348177707 0.484449051 0.339461533 0.286566526 0.241110374 0.094098887 0.539209246 0.410878392 0.305308032 0.217631893 0.075753731 0.332272341 0.118892731 0.259571522 0.404255028 0.607342879 0.548069867 0.309443642 0.286018245 0.725040393 0.217901043 0.18887574 0.239191236 0.479759652 0.506616685 0.141689391 0.294263592 0.076236588 0.326544132 0.266699169 0.606788359 0.451894784 0.308573561 0.25145745 0.304891753 0.428934797 0.209894545 0.246151042 0.268832291 0.334217959 0.455500413 0.453331804 0.748704188 0.337917375 0.272417934 0.399149068 0.201406564 0.37601337 0.365059131 0.319656211 0.20764051 0.252688411 0.897122269 0.083699567 0.374907627 0.330567216 0.258586861 0.396817723 0.130728661 0.11522182 0.261078964 0.152974483 Sphingosine 0.436410723 41.32681006 19.54453716 0.954314241 13.49223256 0.444735049 11.24771038 17.47571508 12.86569696 0.199827707 0.708329247 0.388496972 0.306189877 0.853600365 1.286731729 0.259726939 1.026281096 0.349480341 0.536930326 0.615783688 0.564757292 0.766829914 0.609685757 0.61971501 0.578751442 0.54542776 16.45896027 1.04117894 0.380226107 13.13924029 0.394536199 0.627855421 0.713907602 0 0.20034677 0.702464717 0.391904913 0.818118353 1.478693606 0.412486755 0.652553805 0.360186433 0.575952914 0.481888668 1.56852302 0.208689199 0.469920692 0.470464457 1.292903249 0.881038368 0.137742603 0.878765504 1.000168514 1.041208902 0.55702535 0.857873847 0.799647563 0.791237188 0.683155227 0.616121702 1.060740471 2.0582957 0.550297743 0.474775923 0.527440343 0 0.71635148 0.774436217 0.348832457 0.520587727 0.974731981 1.552381245 0.314674495 0.81108221 0.499422585 1.598327198 0.547300372 0.664965981 0.91687445 0.841407163 0.528359648 0.521345253 0.408488263 0.155125267 0 0.324322415 0 0.878408428 1.263107007 1.371683631 0.726646553 1.364470936 1.211049197 0.498064936 0.527510379 0.83092465 0.500515402 0.367412706 0.920731902 0.60616979 2.892441929 0.637773382 0.515801781 0.692184706 1.056477403 0.81817209 0.57604315 1.368044589 0.372585674 0.296522847 0.220587173 1.462529614 1.102093012 1.121147979 0.874626509 0.878256756 0.565505583 0.713310745 0.690238155 1.15267122 0.870519408 1.247761889 0.372127325 0.509241622 1.244620634 0.470552464 0.666041849 1.033731379 0.777637836 0.536053301 0.857495297 0.409657769 0.688125282 0.451859818 DL-2-Aminooctanoic acid 1.681782594 0.981193016 0.931668547 1.212379014 2.042332246 0.867664824 1.339323339 0.602253299 0.678858255 1.280244713 0.947880891 1.692569568 0.855576694 0.668123382 1.870225916 0.751896306 0.764199135 1.719848197 0.437746132 0.438407453 0.905525548 0.48982011 0.6123504 1.280010894 1.475695264 0.701752583 1.239160296 0.953055355 1.324222958 0.816158344 0.888120894 0.817786831 0.942771624 0.921622262 1.902061352 2.311893986 1.75522378 2.110443422 3.842828604 0.309739316 0.946719346 1.073370243 3.437955644 0.911124046 3.057043407 0.31793405 0.904804608 0.906454356 3.015690605 0.970847232 4.970923401 1.452638009 3.308669393 1.481507554 1.241125008 2.1707588 2.106676143 1.350125365 1.461634612 1.67771027 0.491691573 1.110528253 0.962087683 0.925701246 1.010773764 1.14292069 1.809242672 1.040398252 0.95728059 1.04657307 5.53083634 1.387025285 2.07778086 2.129148894 1.405354132 1.042223298 1.962073459 1.266727944 0.787835207 4.307923814 2.485370186 1.722491702 0.942935321 1.890238424 1.088520263 2.121486266 1.76689509 0.64677723 1.187971401 0.463876116 3.643973355 1.262284662 1.492527161 0.933821309 2.189889838 1.26904928 0.70075905 2.422976479 1.175038368 3.225751563 1.229913996 2.381748425 1.243721917 0.713760204 1.223701172 1.480579292 1.362811796 1.299099558 0.349857675 1.745255217 1.17395178 1.63872046 0.846806987 3.084268907 0.636216193 2.57431394 1.235943884 1.884805471 0.671170356 1.211642342 1.648244851 0.674445483 0.817171932 1.139933121 1.670029115 0.654985647 0.957735935 1.023799725 1.197610534 0.732320415 2.52868298 2.318681653 0.655259611 0.902896018 Monoisobutyl phthalic acid 1.071523639 1.60703607 2.843588092 1.463436488 1.780387426 1.885346943 1.63783172 1.837228513 1.926868231 1.042143983 2.009082698 0.871833463 0.887367966 1.772614507 1.049057544 0.611583854 0.776300594 0.89848414 1.063165331 1.392484781 1.42342525 1.29203251 0.815333048 1.376825827 2.54810028 2.28604509 2.137932742 2.495763018 1.409032074 1.521846247 2.134303338 11.90349189 4.582882801 20.57137388 14.54058012 2.625583501 6.823308739 8.497144332 4.291423482 0.828144352 2.940611367 2.827931291 10.92391726 2.339175926 16.22678736 0 1.853715363 5.313171811 26.78703442 0.91807558 0.388987878 2.34241392 6.739341271 1.733001267 10.56337177 1.816540072 7.28273237 18.65565451 0.53946906 1.386237753 0.7897057 0.335431331 3.956217207 0.702027825 0.762164085 3.856479242 7.020779384 28.33088882 16.06605109 0.846322867 0.390439277 9.138851686 0.413117501 4.593473693 0.740120453 12.28669734 13.51323928 0.812019363 0.399839079 3.856722322 9.254117619 3.963245215 12.20731838 3.025302142 4.619798619 3.619090255 3.12758221 8.613621454 6.087074349 2.548043358 28.25199446 2.767365056 22.52984885 0.456029412 6.549374041 35.61189279 2.283531163 1.334696854 5.783121754 0.659380644 2.655391216 0.81918885 10.15286005 1.047227471 0.97508924 2.969092125 1.377815472 16.71790114 0.826399502 3.37260028 1.576348679 19.50977742 4.225198996 41.01637591 4.966004184 2.927218862 0.723694123 4.143341517 12.65965139 0.301460286 0.509097761 2.092043042 7.112261442 0.281897401 0.415840697 0.981473743 60.96388088 5.946783166 1.798378974 15.90296325 4.202004816 8.317753069 6.054677117 2.348779986 Traumatic acid 2.475829222 4.105435537 3.476775086 2.896646355 1.836579125 3.222185036 1.704418411 2.183222221 2.351976896 3.365603089 1.797592122 1.878349895 1.829480924 2.748513794 3.950963625 1.157726231 1.966654082 2.508878965 3.706818826 3.284256991 1.83895882 1.091670643 1.900428065 2.695736278 2.115410238 6.687509174 0.999952644 1.637829617 1.93830254 2.657440268 1.768556281 2.665777505 2.87786184 3.708140185 2.008675078 4.475164346 1.928091929 2.697871471 4.063833316 1.649173636 3.425788084 2.398647413 2.650972185 2.059181487 5.258155608 1.219854598 2.716577565 7.434409923 4.015906349 3.091991138 1.771688495 3.271820184 2.093577544 2.217679709 2.1516792 3.264186413 5.164449105 2.863198453 2.32178248 3.72372267 2.298912228 4.434869024 3.256282309 3.870944865 2.578569484 2.562441096 3.097232844 3.303505681 3.534251661 2.189958116 1.920662789 1.913639025 0.764749952 4.409488221 3.342267292 2.351470752 2.934404283 5.123092028 15.43578036 2.143980644 4.001351526 1.887391077 2.277821546 2.617294595 4.439880551 2.668897683 3.711722886 19.0210652 3.457407123 13.4989561 3.936378495 3.421674779 6.43343879 2.077070322 2.830129435 3.763430069 4.359989678 3.005032376 5.010891956 2.889723446 1.67611927 2.452234259 2.667834012 1.886881981 2.69420791 3.698453476 3.560255988 5.261019737 3.412136308 5.341673231 1.581202989 3.383172445 1.768526437 2.992028459 3.078403616 3.778067011 2.509045615 4.409389223 1.801841346 16.73075508 2.876290931 2.802310415 2.385406897 3.186541865 8.81922181 1.439432505 4.271291314 2.09379762 3.498240417 1.863779519 3.118582775 3.334788489 4.27670159 6.142762762 Pyrrolidonecarboxylic acid 4.752095626 4.803385853 8.370245943 5.78662141 4.758720284 6.868004492 3.635103049 5.516214074 4.330357151 4.736737598 4.732720043 4.859737337 5.939726222 4.464080836 5.458604839 6.493568471 6.603162172 5.044947373 5.969322653 8.660647837 3.809194326 3.744370038 4.196484525 5.251097732 6.231451387 4.552653029 7.419970978 6.493438055 4.013239416 4.756737849 3.743251623 4.860383228 3.086879724 8.887090104 7.264545322 10.67878072 5.719836869 5.646955453 6.675229061 3.852962272 3.786117088 8.45169605 8.451569766 5.768189146 10.91524164 57.25983891 7.659438917 5.07129095 4.613335754 8.969417961 11.38059285 5.363619522 4.911988836 4.089830472 5.058291327 9.97886366 3.990902421 4.932941897 4.72069666 6.9837199 2.481718945 4.905324157 7.992048932 8.342179222 5.966657408 4.12390954 6.702225132 6.523847218 6.621859084 6.134819634 4.90779539 8.230208844 9.581192855 7.190325469 2.36125763 6.264400516 5.241012217 3.732888555 14.00164028 4.561504136 10.27224302 5.297881129 2.685839893 13.16547843 4.680045758 5.042286635 7.512076709 9.75503444 4.649775952 8.1616635 3.797861815 2.340702044 9.258426872 4.553146958 82.57466673 7.966670299 4.673071242 6.983433726 2.251412437 6.321883564 8.5000317 7.39291253 52.69256536 8.422922553 4.919633425 7.452451794 9.2081488 32.30341043 5.872613292 21.17654095 7.5717651 1.620528884 4.370552306 8.048871111 2.115293007 7.141829721 4.065908034 8.533340886 27.20374632 6.312053626 6.459985026 2.485772161 9.228589444 6.766310617 11.44051024 8.970269819 8.993751091 5.172610074 7.415963993 7.968550711 5.339450566 6.341360166 4.732167151 7.44148707 Homocysteic acid 1.022385095 1.133319482 0.248852059 0.801106287 1.085288305 1.603004765 0.960453303 0.943991339 0.906648948 0.734233638 0.802909594 0.653774511 0.957853678 0.654583737 0.892996076 0.948371818 0.69947272 1.175129258 0.736331556 0.458812809 1.192007543 1.384931741 1.083024188 1.013335655 0.754276039 0.420687127 2.201854371 1.173144738 0.748442529 0.743008751 0.66721002 0.665294451 1.677882144 1.636572694 0.940397225 1.5960947 0.876535005 1.454611209 0.89962107 1.287373711 1.195471058 0.98359178 1.348179693 0.603891151 0.788630896 1.729419123 0.38129179 1.078107836 1.529892374 1.302202803 0 1.045004647 1.712870962 1.309258183 0.971551542 1.252163115 1.501620733 1.036878127 0.976914464 0.912824935 0.813092066 0.701885448 1.095038378 1.094199616 1.603605366 1.191184072 1.275012162 1.111748144 1.904269808 0.700213396 1.696098951 1.727698067 1.837871492 1.426392137 1.01640076 3.222268872 1.089582151 1.331558427 3.171492681 0.730097238 1.431297478 16.59693189 0.663890148 1.693905271 1.040593184 1.304898769 1.550876113 2.469428414 1.13814292 2.961109126 1.20921758 1.99739807 1.261846202 0.574567667 1.564503355 2.038775605 1.113051486 1.230994039 1.473472813 1.278337122 3.362018629 0.45291725 1.317895516 1.061083149 1.222452983 1.36688184 1.183150036 1.044949059 1.3978044 0.741398532 0.847394166 3.265034327 1.645297693 1.415692007 1.414900141 0.851632068 1.614628408 1.416133364 1.069042273 2.003132059 1.642350388 1.761743688 1.205672941 16.18916889 1.927753451 0.877696177 1.466121057 0.862589998 1.955081074 1.067025301 0.8807716 1.57622474 0.833883963 0.96936872 Kynurenine 3.950786225 6.903337966 0.047949119 4.485743495 4.309118244 4.048665991 3.409070603 4.70462606 4.36802173 5.648990815 4.436886973 4.277884074 5.100617143 6.022543314 4.200405873 5.646433654 4.778950242 3.71031669 5.98300103 1.939533889 4.041561676 2.621054602 4.684512341 4.095233945 5.356092617 12.0081535 3.590573065 3.998002345 3.743664666 4.116781213 4.200446971 5.178939412 4.949593789 4.416410823 4.765544362 5.086875384 4.358343149 5.077817016 6.749926243 3.86028001 5.320495813 6.146955464 3.831021412 4.70527164 9.392997357 4.814446851 8.415788063 4.868322051 9.204545422 7.575326823 5.921111539 4.353084309 4.096269892 5.279587797 4.376421691 4.741389244 6.239537837 8.234362407 6.779300992 8.995792305 4.536974224 4.539436739 6.855358575 9.570696468 6.640254169 7.664146341 7.099157063 7.456116198 4.179193297 4.189810806 9.291368193 3.726603309 4.230162289 5.982188597 2.968629625 4.126950282 5.079265404 8.645139298 4.629122667 4.234361487 5.767484689 3.533241076 5.359593863 3.948496867 4.429966907 3.874337551 8.819922108 5.155403112 5.451645048 4.006481113 7.304420145 7.171137488 6.682956544 3.37272223 8.102205479 10.00535817 3.411164571 7.506214536 7.692249385 7.278313538 6.304823112 5.613934536 7.092809126 6.86530167 5.228484102 3.687265728 6.714943784 7.131859535 3.942171043 7.614885157 5.939195657 8.241254988 6.659729882 6.953242418 5.920865174 6.91972886 5.741142377 7.083001835 3.7808753 4.586247373 8.254715421 3.879701117 7.257330686 5.158549055 5.85332397 5.255283374 4.384049342 8.860678359 3.965514407 3.394078434 6.325993779 5.743494128 6.361656624 3.340972275 Phenylglyoxylic acid 3.178776648 3.09205717 4.23963309 2.844397893 2.336473198 2.684025101 2.959486315 3.912574682 3.49120262 2.90998089 0.386050291 3.06829496 4.750171869 2.853913226 3.098848556 2.453809548 3.465069452 3.543401493 3.348737985 3.41482212 3.164326348 1.810876828 2.391689585 2.874449615 2.96152933 3.592073583 3.14353308 11.57963668 1.470983862 3.00619223 1.720591755 2.710423123 4.151580186 3.076975137 3.837271697 3.907476858 3.039941346 4.14542527 4.844994554 2.257727411 2.853724721 2.805348444 3.676073033 2.873478537 4.865228383 2.954263915 4.123897037 3.470266977 4.273982148 3.426236379 4.108241902 3.731842662 3.806675636 3.260756137 1.960321796 3.870892618 3.676025743 2.80884865 3.539261008 2.819283972 2.890468931 4.134379665 3.209612263 4.378622622 4.232035069 2.542985159 4.215232143 3.842287787 3.116084221 2.804567191 3.949763899 4.759968508 0.497465141 3.864001184 2.779280188 3.560834656 4.474654598 4.660452494 4.15862435 3.791776385 4.562650123 2.592098259 2.538976906 5.036133206 4.194746094 4.171810731 3.651608559 6.550549183 4.929494362 3.379963617 3.412111354 2.300994062 3.763782925 2.233774517 3.097077891 4.033945664 3.558599745 3.350288384 5.384304871 4.963939365 4.514917737 3.29683779 3.61783047 3.808298984 2.554141929 4.940111837 4.303712316 4.234485953 3.1855657 4.728683098 3.377127846 4.170263106 3.090553093 5.583547067 5.322410899 3.899940419 3.370071917 4.132269399 2.636082589 3.248493799 4.093209553 3.698673169 4.111755597 4.328436548 5.077747395 3.913516003 3.976960898 2.963090797 4.39040284 2.981529176 3.788570004 3.655923731 3.780434185 3.360785144 Pseudouridine 1.281495012 1.147373872 1.121905386 0.729863321 1.121606827 0.880669244 0.936155846 0.749660054 0.733235325 1.047396792 0.770965126 1.152508797 0.939495975 0.948951289 0.870662667 0.655570255 0.615184664 1.409862822 1.196907308 1.02755669 0.69245751 0.358980129 0.921936775 0.895098393 0.704912796 1.803140807 0.827556216 0.687427673 0.690010836 0.909872817 0.832067726 0.691915095 0.745313979 0.755862258 0.915647798 1.158718241 0.669189805 0.808476491 1.68901629 0.579742164 1.044092553 0.766474722 1.094525574 0.65575143 1.412279223 0.399281781 0.906715921 0.576303127 1.210150101 1.210721408 0.611905248 0.630143385 0.622474373 0.667984575 0.755753605 1.165156265 1.350297837 0.760018714 0.989295223 1.391264861 0.614378695 0.793934537 1.204551203 0.722948869 1.128296699 0.795738352 0.983819787 0.847130686 0.762069981 0.79106005 0.698126473 0.653396619 0.496462194 1.087736615 0.668687245 0.662401222 0.739143449 1.140311875 1.030799208 0.597241649 0.822219308 0.479575778 0.712573753 0.913967724 0.81339232 0.787994186 1.334612457 0.878286116 1.155380955 0.854309163 1.11821639 1.18368682 1.300237523 0.398071109 0.695215616 1.464511746 0.556006167 0.909441722 1.083767677 0.774259725 0.77678406 0.802206648 0.723642558 0.973393137 0.724364424 1.160958423 1.24747335 1.037243278 0.795737619 1.065024157 0.762657798 1.056649493 0.911791887 0.964786261 1.191384649 0.765447291 0.643897238 1.236333265 0.476420759 0.525815238 0.654551389 0.742759279 0.707749757 0.754373487 0.564787349 0.718613725 1.088504571 0.711467058 0.880987918 0.557084652 0.695020142 0.876038543 0.898237933 0.801418589 N1-Methyl-4-pyridone-3-carboxamide 5.485561722 3.231582817 0.287317296 3.209990136 4.30767507 3.414837145 3.105711796 1.732433667 2.01324607 3.217874726 8.722804879 2.689037688 3.492452776 3.828835807 1.946845744 2.184984958 3.953035526 5.410638218 4.92144769 0.431651645 3.199393281 1.729590612 2.027147738 3.666639026 3.495215435 12.23844334 3.694008788 2.589438048 2.274014633 7.049211092 7.638171826 3.499540068 7.606931486 6.493572842 1.910768804 2.244117308 1.887482303 3.890610285 4.33936452 2.017887814 5.248620301 2.546826339 3.427023837 3.60459732 4.115060384 3.708691341 1.834656388 0.673387645 8.487333204 10.46306635 1.970350292 5.737174127 9.518923575 4.244195154 2.568210483 4.716916695 6.18918738 2.061826198 9.071054817 8.387318807 2.058494975 3.330635361 4.788276568 3.142804529 2.709570274 3.437440644 7.045699774 4.587376708 6.357149412 3.915685937 2.136802388 4.482567462 4.741238313 2.831348553 3.259010758 12.5711908 5.099889819 3.444056617 2.013303337 2.712202304 12.41286032 20.86065267 3.715802739 4.834205396 3.207378873 3.800740625 9.295530511 3.62095192 9.935844916 3.737862291 7.259912928 6.141561584 14.77926774 4.233231787 11.51555666 3.348878906 2.61130591 2.441932466 3.355108498 3.592503109 15.36100032 7.82099001 4.557869873 3.095930471 7.70209662 5.103717511 2.502265076 5.241792624 2.678462977 4.410711059 13.85478964 13.85569131 2.88075224 6.519195192 4.807870544 10.20099123 6.180144027 1.528093113 3.192103056 7.321483372 2.496981336 4.445350247 3.69962795 18.76983867 6.787286995 6.920878849 8.87123137 2.491889018 3.677236991 2.909450676 3.802291085 6.13749019 2.113846444 13.13354126 Dimethyltryptamine 1.331178153 3.076855861 0.468845946 1.827111395 0.614349833 1.325306192 0.592984004 1.355137326 2.551371439 1.880670833 2.514434969 5.432513498 4.055918729 3.031526998 3.378513887 0.310542473 3.809070142 3.715529469 6.449472205 3.418370541 0.820177514 1.375324691 2.571604097 2.839159625 5.421662391 1.862335488 3.517215383 0.517717481 5.486850451 0.579518937 0.260421975 2.813379889 3.051008887 3.231605226 2.383489345 6.343617259 1.405348564 3.204919477 2.398080832 1.151421039 3.033335098 2.646175829 3.832997368 1.341364162 3.964582433 3.567879487 2.22738425 1.42890653 2.514905618 3.661742777 2.312638786 2.069079104 1.247209905 2.305314843 1.775025069 2.096729341 3.59542021 2.095253304 3.950333903 5.71077657 3.374151447 5.681848999 2.98526465 2.02001478 2.059907957 3.177239823 4.096591894 8.394066884 4.613601316 1.911156435 2.054196101 2.332149855 2.569518849 2.469929885 1.994163998 3.723601684 6.099887309 5.280642078 1.824173233 1.013391163 4.150171682 1.431651051 3.080649309 3.23632537 4.109851917 4.981049659 2.959402358 1.82369178 3.160562991 1.202430177 1.987669059 1.911556496 3.411716523 2.019986524 2.349309239 4.467655 5.206103815 5.11917349 7.981170041 2.294785109 1.955438271 3.371483974 2.438314577 1.266947824 4.707540839 7.954623473 3.963143741 6.781261728 4.41453429 10.97354345 1.181148944 2.873880607 4.144597957 2.822961231 3.453734696 3.71526938 2.616202211 3.941347324 2.418134051 3.62259816 5.434068082 5.080880929 1.880301565 5.52804661 1.382780795 1.755560785 6.256307279 1.042935557 5.354022919 2.739205931 4.248771935 5.778763832 4.464433682 3.947525864 Dimethyl sulfone 1.037184794 1.284829782 0.6637925 0.23999286 0.591587799 0.399818887 0.421899368 0.406070958 0.609929555 0.263921714 1.042647374 0.845080721 0.427254279 3.085394129 0.45129817 0.353979365 0.717478864 1.070693015 0.709054993 0.851675574 0.821144309 0.200555687 0.997157039 1.056431137 0.932646195 0.681625609 1.143705082 0.369019168 0.712134026 2.264578179 0.980035681 0.779767948 0.940613727 1.618174011 1.077194713 1.083525009 0.54636291 1.345907724 1.282793541 0.521074173 0.526893654 0.813648484 0.569838179 0.949740892 2.552155478 0.873700189 1.113180723 0.479515326 1.043418698 1.058239771 0.738053706 1.527199169 0.929624408 0.686955362 0.961550065 0.474632588 1.65933238 0.673234392 0.618574058 0.580821634 0.676744163 1.001347967 1.112585582 2.086273738 1.197019292 4.267086073 0.769412977 2.684692577 1.532136305 1.359405773 0.656851376 1.261356273 4.272560447 0.782101662 0.650271388 0.774581033 17.97312755 1.270736013 0.973139214 0.790611961 109.6235902 0.518323575 0.84519949 1.600783672 1.223515636 1.580669499 2.986749406 1.917554054 1.491859851 0.615164262 1.437971272 1.325027595 1.973828901 2.184444842 6.498952303 0.663447773 0.770631376 0.669211642 0.93001241 0.979149611 0.698677761 1.673992383 0.691623662 1.36428163 1.088324115 1.175557842 0.986119642 11.66796998 0.613173009 1.976228776 0.723472114 0.684006366 0.457910123 1.145528723 0.978690193 74.56724807 0.651358624 0.995609786 0.687001859 77.41772213 0.96019931 1.510875831 0.848332324 27.35674849 2.059024672 0.9602502 1.269561109 0.971246864 0.753136981 0.888213531 0.873529554 0.38632931 0.717659661 1.075983344 Indoleacrylic acid 108.797517 183.250857 209.9648173 140.7613702 136.6028174 115.4009087 114.7767308 117.073315 129.2086074 125.8295001 121.6316826 143.4937568 150.5107414 150.9042481 101.3234618 134.4592913 118.3622125 101.6915607 116.3505419 66.09507126 106.1972856 120.1239493 128.6634286 102.7267636 105.0198476 104.9564272 108.2381427 112.0408076 119.9177041 122.0515065 117.798984 154.2063791 86.1106918 123.6779856 113.7186445 146.5531783 106.9016692 135.7371698 136.0634796 90.77001128 130.9339956 115.3662069 97.42060004 92.05340761 165.8320464 145.8436281 158.8772876 161.9357499 141.5289049 156.6674788 110.0582318 133.1985228 132.4534655 145.6996595 87.91180676 128.6210203 89.53039267 132.2082084 108.3893794 119.4809218 99.72894839 109.1912213 143.7533137 122.1766558 141.2160285 107.0308587 126.0172406 111.0634851 115.688831 85.02659765 108.7857035 93.87951131 104.2655871 94.86388651 79.65204662 128.5859871 100.1530086 135.1957436 140.7519492 124.5552755 127.9506564 98.83925918 150.5982581 120.6217358 85.24914924 133.773032 113.6794962 143.8829015 153.9576678 137.2916363 115.3067173 213.9818859 141.6228019 114.5796764 109.5326229 137.3730916 101.453294 143.4972674 138.2606246 93.52927812 124.5905479 127.4317271 131.0887082 132.3189341 149.587387 101.7108288 114.8212339 98.94570751 88.30698563 99.78747852 120.2872413 120.7180664 77.45196996 130.0282788 112.5891789 113.8414561 129.4619051 90.9993802 75.42503417 103.5449519 110.261963 96.17332072 159.3512481 95.56608084 126.4756731 111.2687415 90.05830092 91.91794703 124.5969634 115.3656989 153.7265078 124.7229545 82.02681411 115.8224693 Tryptophan 209.1284379 346.9362197 404.3550025 269.153985 254.9655234 228.8843241 218.7602805 222.6119851 240.6108553 247.0013716 244.6294776 283.0735501 300.9462166 299.2647689 200.6743566 273.1061353 236.1709533 201.3672606 232.1594538 132.2018699 204.134783 238.1356993 251.3414276 204.7491913 205.0836337 203.9576125 211.716731 225.3132697 232.6568841 234.0507607 225.6575744 290.8804119 164.149779 242.939857 226.3541738 291.5480196 206.9995237 265.7942357 264.0655116 170.8819946 247.3209817 229.9824533 192.9072268 177.0794909 314.5879099 293.1261722 314.170639 309.7441476 272.5572743 299.8372582 217.6247377 256.5661001 251.6943553 277.7918944 166.2413888 244.0208189 171.7988933 245.7065293 205.1208333 224.6363035 185.8940617 203.6996187 284.0461662 244.4042439 281.7306184 217.8802102 250.7001213 221.2695833 223.7917618 166.0971258 212.0467677 185.6621561 207.0650512 189.5854501 157.7639887 250.7255068 196.8979925 259.4442616 273.9309079 236.8093547 255.216787 186.8179429 284.2129987 240.5976492 174.1501679 268.8757699 224.4641341 280.5201639 301.0067144 275.024454 224.945758 408.6282788 268.4450712 215.1998405 216.9061494 264.0138607 192.6604948 266.749623 258.976979 187.4609328 247.8405716 251.5813217 260.5701571 265.1334589 300.4265373 206.0738778 234.9321644 200.3942882 172.3865668 201.9651308 239.2275642 233.7856987 154.0405689 258.5501576 222.848957 224.0063945 254.8724805 177.9254324 148.0809097 201.8291852 213.7926193 186.6119744 323.3417879 187.8839855 241.5220517 220.04005 180.7182066 174.9357335 238.8073823 219.2897008 303.2595878 250.9172893 161.3435915 227.1294623 Mannitol 1-phosphate 4.233044492 4.359717595 5.156701638 2.935414964 3.319988375 3.72488275 3.309142773 2.509336267 2.53492579 3.225641247 2.264825106 3.345967392 1.068002298 2.564026543 3.240589199 2.66240394 1.133818639 3.843385527 3.714256942 2.931018779 3.324934621 3.686490115 3.495081004 2.036403255 2.993178394 2.162292352 2.653814318 2.623469827 2.875006208 2.711833803 2.329500255 3.14428004 3.058961141 2.776437882 3.596212364 3.776232876 2.525387929 3.399667039 3.908492496 2.199265944 4.405838472 2.925334518 3.593347331 2.241192647 3.972562597 2.613790323 2.624069223 3.917055202 3.287263734 4.883944806 3.057171507 2.765682546 3.590266168 3.24523593 2.557985396 5.329272833 3.388374506 2.617550661 3.852238718 4.096992883 2.595863496 2.221077419 5.183227855 2.773574288 3.567397362 4.06360193 3.013550745 2.901388381 5.434821581 2.848864342 3.134763486 4.833901493 4.227595078 3.104850623 1.961764209 2.745200099 3.251965425 3.895872014 5.22459876 2.073614624 2.965211727 2.944614597 3.503723211 3.438224288 3.677510975 3.191056605 6.169856336 4.98543178 3.902487003 3.294023328 3.257469054 4.135603719 4.269042597 1.926414083 2.935667073 4.044143965 2.590317756 3.360847987 3.75718158 3.004906949 3.030003953 3.835807218 3.309186378 2.471575223 2.901837624 3.798850018 3.201247168 2.853702882 3.079302639 3.997627869 2.645687023 2.860846013 3.181477737 2.951959548 4.430075709 2.216991937 2.638624852 3.498087065 2.496368221 2.355018815 3.105090641 3.669161755 2.773021315 2.576359708 3.292951233 3.553594082 3.24790292 2.561310949 4.010288507 2.760331972 3.120199413 4.191494347 2.215194656 3.814850942 Ecgonine 1.879257416 15.80276247 4.0053405 2.449685257 1.699066147 1.797615158 1.678332004 3.609477907 3.267608155 2.101028116 1.232001109 1.338378742 2.396925094 2.149301261 2.812743278 1.937341337 2.11994381 1.681607868 2.240187324 1.702637677 1.30059215 1.03990654 1.523584958 2.612338692 1.952237474 0.995029083 4.20893389 1.513220537 1.361496169 1.297104128 1.309115772 1.608886025 0.911804461 2.158188369 1.884570006 2.333413008 0.438886785 1.774671734 1.555883106 2.053235049 1.292550212 1.264471017 0.97544213 1.071026922 2.601842647 2.723099138 1.231700974 0.555857704 2.910419828 2.716453476 1.497219959 1.853556314 1.9365665 2.091680392 0.828979068 1.394159424 3.667617132 1.670452903 1.53167059 2.072450154 1.393129236 1.782212914 3.189081551 1.756099725 1.382555336 1.576116167 2.476748598 1.676130694 1.716122418 1.61055466 0.644766959 1.564092654 2.071582686 1.369766595 1.569160656 1.229313137 1.702262345 2.021051208 2.215467896 0.342774031 1.300584786 1.311674074 1.82454207 1.473677574 1.04566259 1.387896911 5.36898411 4.030784071 2.497015595 2.689304029 2.071395393 3.476085405 3.69582464 0.716087757 1.103254583 1.845350296 2.644969164 1.225393257 1.711750658 1.747664647 1.956892272 1.486560949 2.462907634 1.333086138 1.289319263 1.687353955 1.904157501 1.217872703 1.062763631 0.745479802 0.662418598 1.303377336 1.539251845 2.033304696 1.369514371 2.04295113 1.432506349 1.993868434 0.965169074 3.837767914 1.781666598 1.387225604 1.632412318 0.402176844 3.938368276 1.186801239 3.173882288 1.957819032 2.364967559 1.286674065 1.251671633 1.562119923 1.247804727 2.135852683 Acetylcarnitine 40.90219238 42.57873991 51.52733533 47.86521149 59.12403938 64.97408744 44.35602665 43.84392042 34.24979783 34.56129444 40.76880762 27.73612623 44.64039133 28.98472304 32.11756281 22.30615491 39.59838533 36.15665533 35.83433489 35.03250281 43.48848824 27.08566401 36.89103238 40.65552769 37.98295994 58.370561 114.0437125 45.72359052 8.718278605 28.59690765 41.06004717 40.9308502 41.10797628 88.37782049 42.45791424 77.53924832 23.7433716 36.35982269 86.03967541 33.73086232 30.15193029 44.96190428 45.87484397 46.76249289 43.79967189 48.26935259 57.64217598 53.94275108 76.61508667 46.00511762 30.05315076 38.17138433 37.86490314 40.62440461 24.57133648 51.64707254 109.2537159 61.19286432 24.92802508 83.68185312 44.42900138 41.20869664 58.87083325 47.52806111 46.97409463 56.15124446 47.77866189 55.36818634 22.90937862 34.43774293 45.77778129 49.52002761 54.02074001 57.38369627 36.19489913 40.03876936 37.65321229 36.89818853 90.17722409 38.50223229 68.75692143 37.11798162 35.81948709 49.00303132 41.60281188 45.1364814 47.11563896 54.84798846 42.37854125 100.748504 49.51236618 65.16360079 83.03342058 27.5227614 36.17145671 84.25492435 46.54377633 42.95791032 52.66476333 53.92911822 50.52514893 57.95434534 47.56357514 80.115243 39.70323806 54.57711364 67.15385826 38.44502745 30.73423822 47.48984109 37.30879383 50.54152136 39.57837444 32.59911023 29.7312948 52.62693951 46.37713419 59.12771626 38.39901927 55.24787684 46.19661992 45.1301007 49.81483326 30.91169644 69.419806 26.04034304 72.77094386 46.26839368 56.33306453 42.85195577 21.7447353 57.71151812 49.537739 65.91665511 Glutarylglycine 1.171364656 2.016316259 2.281816432 1.575147299 1.476225661 1.272331739 1.26513931 1.32242651 1.428411499 1.388965951 1.326433438 1.57781974 1.641898661 1.655248387 1.130845495 11.29193048 1.273193763 1.131988321 1.281120912 0.772220419 1.149274375 1.351995919 1.426549597 1.162007958 0.725881772 1.151353467 1.223926007 1.255188563 1.327680859 1.367898136 1.299599187 1.708348522 0.98052049 1.380128149 1.306131078 1.680762976 1.176602418 1.523554838 1.557577073 1.02673022 1.470793548 1.291636504 1.099641907 1.011362796 1.914006613 1.653603248 1.831678536 1.825442092 1.600888789 1.730212612 1.276625254 1.472778396 1.486315377 1.617836577 1.001438627 1.411115131 1.069930487 1.472718123 1.246882582 1.391300604 1.119093835 1.241746412 1.563104862 1.36735371 1.637461827 1.164359933 1.422134956 1.295109058 1.293548216 0.967960733 1.171366477 1.091291712 1.208342789 1.106734731 0.901716066 1.435969588 1.106841029 1.505341147 1.559858284 1.408267013 1.410012326 1.117452196 1.694961421 1.346316127 1.044626465 1.51529477 1.278221573 1.682192822 1.707679658 1.576383272 1.350891389 2.342511496 1.530177037 1.233063276 1.196145696 1.595286308 1.15194398 1.573169283 1.497291507 1.084131744 1.418287912 1.422422115 1.396597536 1.490841931 1.678820018 1.177989253 1.302921413 1.179058093 0.986814822 1.146126963 1.342948656 1.351010031 0.909972813 1.476703338 1.234593848 1.309588331 1.481621077 1.045940767 0.839579703 1.146585242 1.213905611 1.102092614 1.789525388 1.103314293 1.403349815 1.270441371 1.041282308 1.038488305 1.435046048 1.25811913 1.746019031 1.391769618 0.927529993 1.299629671 N-a-Acetyl-L-arginine 0.572698946 0.7574075 0.46060287 0.409379219 0.335198578 0.638219604 0.401185134 0.775353925 1.008167007 0.768792121 0.536082265 1.029838853 0.900574327 0.746599916 1.194095354 1.527970253 0.74752304 1.315763921 1.236302728 0.800436976 0.469583568 0.371001784 0.899613108 0.813920203 1.204303706 0.829350215 0.787791224 0.786261947 1.038458768 0.29904441 0.208632291 0.618380485 0.678205302 0.770663968 0.778395681 1.324092621 0.289509444 0.673778177 0.820148486 0.382904804 0.675532851 0.719387205 0.783177379 0.396079966 0.959996914 0.999641209 0.872452823 0.202516177 0.512850196 0.774256952 0.381644994 0.572110173 0.252837687 0.213793065 0.27791213 0.394204339 0.67719197 0.407416789 0.574225438 0.836333048 0.82228712 0.920832522 0.628627505 0.877872161 0.39510136 0.813323278 0.95548542 2.056890548 0.525448779 0.712144952 0.1719414 0.315371341 1.414652183 0.766629351 0.60089207 1.001231736 0.753302937 0.860297536 0.515725601 0.188000726 1.005110884 0.489256616 0.799322217 0.495913416 1.062394932 1.539113236 0.911643696 0.244570416 0.608434521 2.107537623 0.656463115 0.672325619 1.18529474 0.422343202 0.468708856 0.934622846 0.756740841 0.880859548 1.354491678 0.321895434 2.088678996 0.708482148 0.599080628 1.930750143 0.926602288 0.968308152 0.819777512 1.282296676 0.77348964 3.167970607 1.152926753 0.470891221 0.333315351 0.717368468 0.807620935 0.703507615 0.421669198 0.405591715 0.323771356 0.502730593 0.784264416 0.801454496 0.995071333 1.092436968 0.348295553 1.636224086 1.34926153 0.166328899 0.851193899 0.427209452 0.514030814 0.893698008 0.927644631 1.186990389 LysoPC(16:1(9Z)) 8.878092343 31.92033189 23.75611846 16.25864863 11.28906944 12.13700123 0.162337314 15.3714135 7.13611867 20.47305159 32.20700848 34.21831514 27.12335045 20.89785748 15.63556626 22.68160962 20.04754754 21.4231984 16.85925316 17.44314187 15.02571428 11.92811933 20.71223218 34.01205632 22.82312664 12.04363428 35.5877126 13.13396516 13.85274513 0 13.9535861 26.63336991 0.603935061 30.02806264 24.66949629 28.47039742 14.49529954 10.79164334 36.17244218 20.32590914 25.45031992 22.58333867 14.15959848 17.61617689 40.58143211 22.21057966 23.36480515 31.16265379 0.015657546 24.11791745 0.205619251 62.58871924 0.216422449 43.10340883 18.89529399 47.26683554 14.68161959 27.02752364 2.52434947 40.95921176 15.8349305 27.0396832 17.39960317 42.56710265 23.36251905 24.71325099 40.69802339 33.96701093 23.70079193 19.43781226 15.55162818 13.71735333 26.07022379 0 17.04354015 0 0 5.730719861 55.31403669 18.06151748 0.341630094 27.9315782 14.56065651 0.438041661 23.29198897 43.32860126 26.13031471 57.21974632 42.59217112 0.170144804 0.203129756 19.31903762 74.26693993 14.64067166 22.48561677 46.10722692 27.17686438 0.319391834 47.89052539 12.15741484 22.07618486 25.00039339 15.81310966 27.73481901 13.27298778 47.48865692 0.240794106 17.48601058 14.56684469 29.87291847 16.14605072 0.045348579 30.22734756 27.98008749 20.45688127 17.52091254 30.16218989 42.171275 10.54186777 6.773409166 21.78646601 7.29127659 22.30350158 34.0039679 0.130783052 37.44222448 4.198790266 20.592754 27.65711222 19.58200463 36.70650057 16.3125069 17.60573713 70.07798513 N-Formyl-L-methionine 1.107997979 0.757183403 1.391128744 0.694164602 0.608091409 0.746410214 0.488771049 0.697604738 0.578857647 0.722339831 0.778360452 0.6122437 0.720469915 0.623211062 0.641388969 0.955822333 0.987153229 1.028631372 0.839154853 1.061883881 0.684127013 0.908740347 0.588620342 0.693933311 0.852200934 0.895847175 0.554830007 1.112324123 0.755096037 0.742164783 0.795777593 0.634723896 0.983556173 0.789180971 0.819123189 0.693374232 0.551547631 0.60747657 0.668186052 0.428506487 0.632679401 1.231235138 0.847344021 0.617628137 1.019580957 1.13338839 0.911235521 0.648241602 0.592630515 0.85260463 0.764766736 0.743939995 0.733652794 0.793615784 0.588917358 1.162345819 0.448723024 0.615140228 0.747952671 0.513844962 0.415215572 0.578486017 0.776079743 0.679487785 0.676098263 1.219771871 0.818905578 0.578472314 0.752589717 0.504977851 1.138016538 1.094719274 1.138898441 0.647744727 0.548618412 0.798686391 0.621275896 0.546855399 1.127335722 0.630588715 0.77073343 0.477469956 0.547536081 1.061761454 0.656297325 0.782335042 0.745762344 1.360644064 0.827187901 0.710313386 0.786095339 1.074675653 1.072360997 0.770113354 1.011528775 0.797156691 0.721280724 0.705115132 0.689670525 0.747719163 0.767143857 0.559197366 0.662930473 0.794016714 0.656508829 0.982649429 0.787343485 0.623345089 0.607164911 0.727528324 0.901398555 0.68307629 0.351480904 0.755448436 0.809266507 0.484190201 0.447919169 0.698350128 0.504597368 0.415896681 0.931365666 0.456619937 0.99056022 0.675783276 1.101119067 0.853549197 0.574887223 0.433744355 0.703471901 0.762437964 0.701630947 0.741360052 0.312425134 0.748384647 LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 17.11998798 26.5780145 30.98196194 33.15460297 23.9894974 15.78555934 0.750373351 60.87785381 25.42360383 20.97008573 16.87063365 23.62670426 32.69097778 47.73597883 41.85055576 10.66723657 32.17305728 33.96647786 27.66526716 43.44087198 45.28109346 21.32307347 25.86473168 42.64896155 33.55776027 24.80303223 42.30568253 13.40468653 25.93382479 0.525047621 23.90090802 18.10447271 0.652960884 40.27428467 12.71011212 10.56250422 8.326847638 35.7263646 45.54843207 12.44718253 17.76260399 17.08740718 2.535952769 16.3374522 23.09286895 60.33038668 24.69177659 19.14204041 0.999663797 10.11910968 0.02647942 12.91678292 0.637605669 25.38076022 42.0148192 25.40337088 1.130509664 29.59346699 2.617688559 70.14210383 28.72074628 49.01753175 21.09995899 25.44846425 17.02255278 26.49037144 17.23174336 21.69164458 16.31987224 91.14252812 13.15131711 32.60011837 9.252013846 0.29592188 23.22026913 0.344816144 0.455519914 2.281646307 15.24059366 20.33170574 0 48.22986789 22.02459725 0 49.91237011 57.61816303 23.5893387 31.20192536 114.1652837 0.20392689 1.000613557 37.97820492 35.52516898 10.22733275 38.51185584 42.70272551 30.03746739 0.826419321 46.47034706 44.18694144 13.39928567 33.37962033 28.01582074 11.99667708 24.78743841 26.80663406 0.256382932 22.34080127 45.01544022 49.28380994 9.255155402 0.426994806 24.55601816 44.16127857 10.36931376 21.54359405 12.96897252 19.10832585 14.86652334 43.76756568 28.08480952 3.935233135 22.36970289 42.4598987 0.464778995 22.70400811 2.405866518 14.19798198 98.77561649 42.3929434 10.08190874 53.27547804 63.21362029 26.38801227 3-Pyridylacetic acid 6.194141554 3.401601987 3.850357037 2.580336716 1.51604086 1.975587726 2.012166201 6.266161961 5.885832458 3.992798669 2.903176823 4.264891661 2.161880438 46.31042565 3.642306822 3.326360965 1.998381917 5.884306362 2.044214312 4.124717983 5.389507634 8.467715033 2.790111429 5.271362048 7.70466097 12.05656032 7.867657454 3.628041165 7.893717128 8.19498696 2.887036455 18.77092792 8.074454147 12.25490793 3.427261101 3.269657294 3.047530508 3.316529729 4.106434691 1.520691746 2.443081868 7.274791223 3.881491632 2.870630457 21.18417536 3.423269696 5.004408862 4.94498882 2.687251403 4.470738034 4.013789605 4.929636175 11.48303579 3.027378044 2.456985745 3.236311634 10.79689568 4.026632849 5.311675723 5.533415917 4.529080106 2.957652787 6.970176403 13.96056011 3.926390703 14.0400273 2.533454365 17.58869461 4.605430474 1.704275147 2.349584376 2.260958581 2.565796843 4.847189938 7.870332748 4.850474693 6.499578661 8.714384682 5.480497181 9.034887974 5.241058216 3.6765849 4.190725574 2.349978305 5.982894591 2.557419171 2.722252455 5.349368138 3.705301514 3.863706931 28.61755304 8.087483722 16.53205725 4.328911193 3.068274256 9.0343808 2.415586007 2.696600367 3.772590699 7.0375483 9.516664023 2.656750775 5.624749434 3.514548479 8.033642894 6.306024702 4.242623654 5.078122637 2.58130398 5.559540695 3.024540943 4.687779483 2.848003884 5.060793518 2.726160343 4.265340841 2.505749956 3.221219724 1.668645121 2.776735264 5.976193743 2.772770905 3.655283324 14.77018865 4.943880965 8.50638661 3.318397474 4.633704231 1.764950406 2.356463314 3.565318999 3.430048838 4.029949025 2.910269167 uracil 1.967922702 4.135165363 3.321368697 2.075939188 2.54310762 1.647760916 2.491317058 3.340893385 3.355820669 1.201511233 1.223708183 1.461129349 2.894996241 3.001726594 1.591164896 1.432410103 2.063251827 1.844173279 1.648815468 2.137010803 2.124839882 1.998161922 1.995757251 2.085449015 1.462698193 2.15715339 3.633108044 1.564720943 2.129456338 1.707999211 1.460898761 1.709825628 1.458083511 1.06229657 2.162462559 2.077266736 1.382684039 2.194751645 2.886399607 1.15958154 2.15617263 1.94273463 1.517986839 2.056766936 2.432433939 2.277881173 2.862478461 2.954380858 2.272595554 2.185457243 2.272339824 3.048693005 2.398576275 1.890371248 1.223856767 1.964854849 1.88462582 1.443611771 1.926643418 1.881015037 1.992860155 2.264212918 1.980976199 2.380697582 2.495318546 2.693225557 2.536627358 2.353770492 1.807498583 1.133904122 2.305388086 1.863958457 2.007633268 1.383006696 1.527173621 2.56483544 1.301857236 1.633520947 2.616604819 1.632262779 2.678553104 1.507202637 2.007673953 2.438050836 2.588077285 1.901462838 1.501181997 3.529579534 3.285823094 2.266039454 2.253975421 2.621992713 5.013850777 1.179257233 2.257086071 1.847215394 2.563794873 1.973213434 2.603915449 2.282240074 2.867501401 2.302589068 1.926975283 2.19473971 2.304790247 2.960682491 1.897403823 2.142467126 1.455890731 2.247037873 1.909023817 1.887073482 1.882733647 3.239525341 2.395085212 1.914434172 1.500738596 2.515745711 1.663562529 2.271174645 1.367014665 1.826989285 1.852775561 1.707161756 2.962178554 1.880635694 2.177938893 1.570877364 2.183036594 1.424094969 2.162044648 2.014443543 1.500354052 1.367452953 Myoinositol 3.735519692 0.264953213 0.245291688 0.406788911 2.032034438 1.035987814 2.203340709 0.500610604 0.74456746 12.87033783 0.947332998 1.628552656 2.418313882 13.51251937 5.903595949 3.076082891 3.592774289 3.613297562 0.641365916 0.736862547 2.414444489 4.126991281 13.64197137 15.51543178 3.513336788 2.635399925 4.66052221 4.247305355 9.077725591 5.205733956 0.886848271 1.393029905 18.61839513 1.388128527 0.24209043 15.84459917 0.92048198 0.586066423 6.435564464 0.213831376 1.785064466 17.93219658 0.393714937 2.020089887 7.045650941 0.246614249 1.519574001 0.262870037 7.064550015 11.67718376 3.92650044 5.993279188 0.390413178 1.303414505 11.66826132 1.456809475 1.415320999 0.981147432 0.59547456 5.036245201 0.838078586 1.239791005 4.654836754 4.070350138 14.80224532 5.910602362 1.608594874 11.00269891 0.197284301 3.867574098 3.69573824 0.711662655 0.372771002 12.11649916 0.867594139 0.223818169 29.1834665 11.6609971 26.6675227 6.003473182 2.004865465 1.024801534 2.763690854 7.190819126 0.258340332 0.299093439 22.88329608 1.247069514 0.404888059 1.573822934 2.188263558 8.193235086 2.844941577 0.166366948 1.679468612 3.423052853 0.4887999 3.144025675 17.08571262 3.156410999 1.112394847 0.901600692 5.666569081 0.404073731 8.98972787 12.69725268 7.527801829 0.445857131 1.538448176 3.409137888 2.941810888 1.583999736 0.795560844 0.400196769 2.574855058 19.46917328 26.90409487 6.91406956 3.057530167 5.29132574 0.230961049 1.090164706 1.759165352 1.432482654 2.153530719 2.014898185 0.594868474 6.243426743 1.834602705 2.70555536 6.063990459 4.866313266 5.669573665 1.535135778 Cortisol 2.536476263 0.850102498 1.049820846 0.445992513 0.681372601 0.392476931 0.377854247 0.644414758 0.659659926 0.360275787 1.235041141 1.032694031 0.921331353 2.148141946 1.739293692 0.831286675 1.137388555 3.466712785 1.790687284 0.747633674 1.504783927 0.903178016 0.701001602 0.561802295 0.825008321 1.230966871 0.511299154 0.7569225 0.488115426 0.786946984 0.77248513 0.768928193 0.504427246 4.617875894 1.317475731 0.695454094 0.687681138 1.194533449 1.069565922 0.122841805 0.527792949 0.600043878 1.060339938 0.24583166 2.743576893 0.838294765 1.33634916 0.028989545 1.329262171 1.610249209 0.909180984 0.46352304 0.931026073 0.581953056 0.321002018 0.99806375 0.543691899 1.030351263 0.767597124 0.707357724 0.122813512 0.565833514 1.151425365 1.941448254 2.372475597 1.401069149 0.785447832 0.879767042 0.249576363 0.980097687 1.149687314 1.845850674 1.387956528 2.04674656 0.286470014 1.467749765 0.824855616 0.648959785 0.205046506 0.677127689 1.435159334 0.193625218 0.398166212 0.331503946 2.084308861 0.684343347 0.939175946 0.249866089 1.088865697 0.189953081 2.231097308 2.196375503 0.494078229 0.309792785 1.435575606 1.425042422 0.797800965 0.910378935 3.202343505 1.235152147 1.511718019 1.898537963 1.776508383 1.233728191 1.185516569 3.839099143 0.595010842 0.825851462 0.904972511 2.296611306 1.253694823 1.657975493 0.747548051 2.070884125 0.70509349 0.962759971 1.338264506 0.919616764 0.629042687 0.023840633 1.560227445 0.982084272 1.113677048 0.422119675 0 1.034640415 1.657442409 0.187012322 1.08767387 0.566988593 0.650583325 2.438574943 1.074254876 1.16405193 Guanidinosuccinic acid 0.664889225 0.353845413 0.939940421 0.638085815 0.315152875 1.964285424 0.237774035 1.424428499 1.240698482 2.821464888 0.726688284 0.983835506 0.665912853 0.635234118 0.728235407 0.632896708 0.858253909 1.0853373 0.841731356 0.492038565 1.009236594 0.584701872 0.486526233 0.590790913 1.471557635 0.757926209 0.45986512 0.804657933 0.529178599 2.719500212 0.431046019 0.325131022 0.114076405 0.690171031 0.886484357 0.703189149 0.714468148 1.08460571 1.017200718 0 0.204339433 3.975096116 0.405035999 0.350412755 1.359171296 0.776098185 1.524668972 0.600072344 1.012079586 1.462104639 0.570496145 0.628948742 0.365410999 1.256935127 0 0.181766252 0.163594078 0.3703157 0.302128283 0.805644889 0 0.575810231 0.768552378 0.955511104 2.01369348 1.339285362 0.805319068 0.753490342 0.605861643 1.559075676 0.53933273 0.43241047 0.705338379 1.83815257 0.322029707 0.972965453 1.682914064 0.669252524 0.71957091 0.342449303 1.087271543 0 0.642961706 0.773402183 0.677117173 0.558149783 1.004916899 0.960172342 1.324649564 0.792255999 0.65147852 1.252391934 0.158684226 0.11453791 1.091014195 1.457697562 0.450753674 0.605135842 0.580652875 2.364359472 1.512401963 0.873454767 1.270555555 0.703368601 0.944975168 1.107768433 0.916735865 0.994790045 0.746284071 1.122817506 1.255674751 1.701510083 0.802727776 0.828035369 1.053598776 1.364495256 0.636859127 1.345915344 0.482506186 1.177717017 0.424467186 0.792396253 1.255697502 0.481900254 0.594815944 0.475932784 0.568164959 0.51620752 1.28567175 0.053844992 1.026508875 0.670300247 1.349825231 1.433793286 Androstenedione 1.142597997 1.04320615 1.473412079 2.147016044 1.466208665 2.08576409 1.149628155 2.069847532 1.936640216 1.578459119 2.470177624 1.224654222 1.19394293 0.665200904 0.470913989 0.504773083 0.950459976 1.204795104 1.655882257 2.425269526 0.87390083 1.469103997 1.387512507 2.336281108 3.522638409 4.601383957 0.731958509 1.662927494 1.095799913 0.330082883 2.438607681 1.633382153 1.346630029 1.186225567 3.018194883 2.221625466 1.001373211 2.823708479 3.376451799 1.439088618 1.519863887 1.782868155 1.486667029 0.997744533 5.260314463 0.708651668 1.489256442 0.900982302 1.449956212 1.747499663 1.511779556 1.275030121 0.566047422 1.826789791 0.769656919 0.978900208 5.430325781 1.237965377 2.914297137 1.937287078 1.031630526 3.728383311 0.99937404 0.455948988 0.931607191 1.27001279 2.130337198 1.644146769 1.290353521 0.896362602 0.498675114 2.593023879 1.872208293 2.094361633 1.911222024 0.30504132 0.84998832 3.246273101 1.676915469 1.24053842 3.15197175 1.847926372 0.69157623 1.596887267 2.119371526 1.743857508 1.062662408 1.224688359 1.351848188 1.78590906 4.189480537 1.281329335 3.44189929 0.723601323 1.661070051 2.016974932 1.626271062 2.766341251 1.653803367 2.707522942 1.360567191 2.717872682 1.018944807 1.017832644 0.716141122 1.608676633 1.800216572 2.67652935 1.134636868 3.188391198 2.223936136 2.109074563 1.262954505 2.305938853 1.92990175 1.989759979 2.221974855 4.73202402 1.320657214 1.086517373 0.894538436 2.1430359 2.288564314 0.341472367 0.909104204 1.430411058 2.932114682 0.76344306 1.725053866 0.675453797 1.61223686 1.630752062 0.99498815 1.067242828 Alpha-N-Phenylacetyl-L-glutamine 3.550334844 2.202184527 1.737880257 0.553857246 0.804320701 1.998263563 0.758757556 2.825140238 3.256514673 1.726611555 0.534322123 1.789041238 0.919416751 1.715445981 4.300079547 1.829751957 0.470909697 3.303105328 2.977990472 3.758080953 0.22331223 0.441543714 1.03977166 20.24549542 3.482151629 13.869997 1.171027547 1.349706774 1.589260108 7.433758598 0.497199087 0.546912856 2.774431983 1.471992446 1.30465766 2.583457321 0.68726353 0.601790471 1.528414008 1.077377007 4.076009056 8.107929191 1.948703963 2.329359358 7.270741383 0.551094435 0.759938034 1.3166997 4.561586631 4.760428872 1.540180461 2.79203507 2.151082824 1.443402862 2.637301673 4.718296609 7.705350565 2.20382693 4.073132428 0.623020545 2.275859226 3.482841357 1.591652412 2.202199806 7.125672702 8.988006381 1.844721545 3.924514805 0.623564958 1.819992143 0.431207675 2.326744536 3.34537004 7.49529518 1.533548019 0.966261349 3.716838237 6.984948504 5.404435196 4.134048607 7.458180654 0.507638232 2.93362461 3.760884671 0.786834557 1.522234032 5.673805399 2.426889715 2.712310977 3.029221569 0.87867007 2.143390054 3.604091948 0.777744517 8.49490088 4.709764785 2.84091865 3.536212434 2.652941666 6.857389883 1.380019282 12.35753476 2.089405055 0.993740726 1.162075476 1.581980951 6.363758691 16.6800045 1.813643948 0.741309979 2.693689342 4.457386617 1.374257949 3.066081385 4.216135111 5.235492699 4.155253768 3.167792975 0.951665125 2.495397218 1.939945095 1.593657805 1.390288701 3.892524693 3.015313458 2.156253125 1.191197825 1.709831034 2.677578115 0.892222482 1.808705033 4.229125663 4.598168261 6.008234623 Histidine 2.826202027 2.658817576 3.563460549 2.424362321 2.331437059 2.69225845 1.992738592 2.152239527 1.994945608 2.564545078 2.637539888 2.155666252 2.618775982 2.38631128 2.210280353 3.057017659 2.515379718 2.720453514 2.39350943 3.037358985 1.868291921 2.289716936 1.932654612 2.390887079 2.472915988 2.119106229 2.223341887 4.523449319 2.039765363 1.933320464 2.182241838 1.750056528 2.593453792 2.975632779 3.87722519 3.164377732 2.654322975 1.567584118 3.802010577 1.335884585 2.395467025 3.939488179 3.297990636 2.137934725 3.732182582 3.146899973 4.326234138 3.210190002 2.229428554 3.497987754 3.550230088 2.80534677 2.775708074 2.556662649 2.114138277 3.551041849 1.503251545 2.200016769 3.115049536 1.606053972 1.364805986 1.574246827 3.029670537 3.798800212 3.630967041 4.232123254 2.465730061 2.829221733 1.555317739 2.166591391 3.218219146 3.282318836 3.625027403 1.698183976 2.195959944 3.021500555 1.833130178 1.924289242 3.342990904 2.455125807 3.81497273 2.070849348 2.314737908 4.365356552 3.000964661 2.562221411 2.011370388 2.847064115 2.448290509 3.322231056 3.465262803 3.666314343 3.39036544 2.118326245 3.082080339 2.079345654 2.834728353 2.78298878 2.776262203 3.287682348 3.457517706 3.307016571 3.382449307 3.181603816 2.421671043 3.780964724 4.031096308 1.580233366 1.936251631 2.230833539 4.021094982 2.956890382 1.089023697 3.60696407 2.091161495 2.134834466 1.441709178 1.838081873 1.629644231 1.28061891 2.499220834 1.2356564 3.819839185 2.730332456 2.762923009 3.696019148 1.819369612 1.509966805 2.978183987 1.805944138 3.157028535 3.224801264 1.075566333 2.708569551 creatinine 42.782756 36.12930635 39.15919436 24.00473712 31.00290774 31.11197457 27.71176198 28.89120889 26.98997296 43.68765464 17.81647835 23.07920064 18.89506117 30.74541628 35.36857171 40.60372642 21.05604532 43.4508492 33.3402812 38.96540866 15.04763635 19.08026433 24.64329737 31.26885481 22.23731051 73.89434983 27.19832609 32.53524515 21.14749429 36.72119649 13.7054234 22.39246247 32.61276964 32.47346784 43.02787717 36.57452147 20.13454234 25.66699758 54.28366603 18.69951363 30.88006769 36.85779593 44.13684875 23.98747049 46.88364962 23.9668771 33.70589443 22.88174537 43.91419762 28.59879385 30.78598049 32.05647293 26.87926883 28.20966855 30.39821885 33.63907123 35.31830135 33.35396995 31.22183718 34.37507776 19.18230899 28.72347118 35.00616374 34.49034845 33.67238455 28.31912287 33.45786885 47.09311044 31.53876053 24.00553015 32.26785916 22.09283684 19.5876348 35.33827779 33.05881086 24.66759482 36.08420503 39.84278548 35.82698229 25.15506504 33.7912898 13.10760859 20.81640485 37.74878874 26.22938896 25.75708945 44.57712602 30.38775353 39.62833428 23.3264798 27.93657053 37.37661186 38.58041427 17.9963784 40.07692934 30.64824984 28.80305763 34.15775887 41.5263495 40.10468176 34.97184263 22.3441678 27.05063517 46.48021891 22.60200015 48.95482202 45.82062208 43.24061034 32.42683193 44.21160984 28.49665434 46.03620973 23.77944457 38.70509307 35.92916389 24.94387046 28.87428471 43.4019789 17.512784 19.23347359 25.31290675 20.13976344 36.20245211 42.49898548 31.29960314 37.0628271 40.55000009 24.46784076 28.39222692 21.72005501 31.1787707 32.84323429 41.11328463 33.30229861 Trimethylamine N-Oxide 4.036541815 3.771076403 2.109380203 3.251990832 3.312975614 10.52318431 2.450250205 3.296375705 2.83140483 5.529443738 0.598456446 4.083706215 3.422833162 4.119222379 5.660680564 5.821801701 2.51059235 4.675994833 2.656578011 7.682473292 2.993673428 1.124301005 4.037229378 5.450501861 7.286121107 10.46236164 2.81718773 10.17430504 3.382816087 5.993902861 0.455586035 16.64570735 1.395609364 22.84958859 3.053614523 3.662815112 2.537430453 3.609504238 3.806546278 1.785598475 2.366080581 3.806934594 1.771880575 3.803822695 6.069395932 2.832010157 3.8179908 1.351590457 7.596278151 4.538296406 14.44346436 1.779149546 3.589545999 3.852636904 2.075167373 4.604518849 8.423806612 2.290688646 5.599818561 4.721852419 3.028723803 1.698869947 4.289153206 9.400871458 11.07160827 10.54120567 8.948748363 5.156726873 32.56464073 3.493363911 1.589203306 4.574828969 6.305535902 4.46442235 2.85399683 2.771368569 7.517357552 5.851953942 2.370700767 2.019901367 5.976339048 2.056808718 2.883362109 3.186574011 32.6081255 5.466388711 16.66482107 4.919218972 3.333619331 7.188389263 9.839567589 7.765640491 4.510513184 2.166398305 9.098291849 6.366843503 3.992711065 5.49303125 3.859618237 11.75080687 13.33194755 10.92160811 4.96401508 3.686841407 9.4007922 7.078293332 3.575719781 12.79189964 2.78327077 4.388776995 6.048008698 4.353509667 1.284325098 2.829638239 6.228433693 7.179667962 2.944919765 8.183171518 2.638298487 3.358647926 8.025735488 4.038875827 5.819814344 12.93075731 1.644902431 6.65056735 3.751763763 5.354208033 3.0623949 11.86698975 3.242626711 5.918056639 3.495793684 5.549588028 2-cholo-phenylalanine 15112845 14205857 12384798 14396376 14570843 17835566 12547577 14824953 14152593 15986556 15988948 17505461 16532735 14818718 15168482 16350273 15485907 15729629 14255897 12092117 10117683 10473110 10007353 9490044 11233051 11695912 12111170 14763788 9390914 11711433 12300088 15446057 11022506 30405296 13235654 28294433 11464634 11794385 13536026 13824626 14475474 16757641 12151248 66088992 15278971 11659540 18050879 13664864 14222316 14201855 18309765 8179737 12957351 14183793 13930424 13457645 15329871 18588548 15250607 14055960 14490627 13512763 19074138 14994909 17566975 31520884 11675541 12946125 13580255 13131478 9411993 11909601 18205722 11926376 12828064 11845151 11997745 12732226 13237265 11891783 16878888 15085071 14921612 16673154 16969788 14625133 18716890 14867760 10416570 18441556 11911481 11805538 14133392 13661433 18513115 12636230 18981121 10972909 14171967 17252486 14923079 19633125 15840450 17983628 15373561 11595370 13200536 15221378 15622079 18114674 18110239 10830255 4181 8976180 12540793 12039615 10678322 11004729 12379320 12017942 10780144 11796500 17981345 13243990 14425221 17944560 12321891 10346217 11256458 15381106 16109640 15435691 13217114 12329912 Heptadecanoic acid 78979646 77894251 73561857 56742403 66888693 106747503 61227020 77071791 79474075 88741891 103220726 97345258 92572803 112578406 113829655 96989659 110295951 111604936 110585847 87575331 92758822 82177462 86114103 89532320 78484906 79535786 81238264 85360257 90263913 80616117 76310340 88013293 78023527 89403451 92854280 93345627 81549905 76938184 115802291 196781 84027489 88892139 84994316 71210478 83148523 92194853 92186842 70399814 80294030 85942729 101338227 66189220 54171217 69035164 59874297 63453428 80616403 117163377 82121080 73773691 77317165 159454289 99818690 96133955 89148446 86328098 107147788 69608185 87047498 75477821 65261353 76829081 103221883 78799563 64905535 75846944 80918525 89485147 75649897 85868273 110373231 99966166 72851243 92208310 110721242 114427563 95641178 77740591 71799950 114467345 81657586 68229209 65967853 68086310 208517881 80419586 80987683 68082573 73205055 95184976 102922178 94859600 92220215 99096236 109077609 70285863 109029951 108007710 102267804 114392997 77244880 75954856 19713190 74713390 83348801 79879733 70482609 81686829 74461215 75950309 76753373 86618122 98577276 74611547 79668412 92850537 89012090 77912025 72494027 79153878 112255178 107908382 81616726 75453416 Leucine 89486787 43799808 57045317 59790232 55958609 55957903 41094745 53793756 76006507 42789183 67448831 35579299 66803939 36108156 34182178 36446018 90346338 92166661 56418982 58401705 63596610 68413915 54632175 40856514 73875944 65074586 44346660 63577462 73613035 41041697 57078749 61422336 15535631 17794641 16842613 18024486 25731465 31332506 12703316 33484947 43641024 24599826 18165401 23457223 16731449 27730322 22616166 17930381 25676414 17149701 23817833 15805671 29817464 30650194 27777544 22365739 19880040 37638843 21301791 24518658 28629190 24496776 37203799 10417933 20369014 18882631 15657140 17206456 49242651 25630773 13871063 27239944 27037538 26300675 27182607 24063374 32073168 23303441 27328088 26427600 18345218 21702204 35149834 30428312 18583398 13212764 36538869 13500139 22209982 26063948 12350943 33408017 23332280 30784840 28645568 29113732 27122856 18802988 16892701 23498869 15765352 20115344 11960490 22679294 41277927 14763522 13318986 18928946 25973037 9710505 43556159 17401022 4266035 14237336 26925208 21220771 45226950 22757112 34304651 27918079 25684712 29804886 33625103 15453987 19075729 19925905 16744296 21268615 28939635 26796076 27631658 16056898 19502646 28173022 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB_ID Valine HMDB00883 Mannose HMDB00169 Sorbose But-2-enoic acid HMDB10720 Suberic acid HMDB00893 Glutamine Aspartic acid HMDB00191 Methionine sulfoxide Glycine Methylmalonic acid HMDB00202 Taurine HMDB00251 Se-Methylselenocysteine HMDB04113 Glutathione HMDB00125 Homoserine -Ketoglutaric acid 2-Aminobutyric acid Arginine L-beta-aspartyl-L-phenylalanine HMDB11167 4-methyl-2-oxovaleric acid HMDB00695 Mesaconic acid HMDB00749 Methylacetoacetic acid HMDB00310 3-Pyridinebutanoic acid HMDB01007 Mevalonolactone HMDB06024 Biflorin HMDB02336 1-Methylxanthine HMDB10738 Dimethylbenzimidazole HMDB03701 Sertraline HMDB05010 phospholic choline 5'-Phosphoribosyl-N-formylglycinamide HMDB01308 5-Methyldeoxycytidine HMDB02224 2,8-Dihydroxyadenine HMDB00401 Indole HMDB00738 3b,16a-Dihydroxyandrostenone sulfate 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate HMDB06954 L-Rhamnose HMDB00849 Citrulline Mannitol HMDB00765 D-Alanyl-D-alanine HMDB03459 Beta-alanine Dimethylallylpyrophosphate HMDB01120 N-Acetylgalactosamine 4-sulphate Ornithine HMDB00214 Propionic acid HMDB00237 Arabinose HMDB00646 Tyramine-O-sulfate HMDB06409 Sebacic acid HMDB00792 4-Hydroxybenzoic acid HMDB00500 Isohomovanillic acid HMDB00333 6-Hydroxynicotinic acid HMDB02658 5-Acetylamino-6-formylamino-3-methyluracil HMDB11105 2-Hydroxyethanesulfonate HMDB03903 Dihydrothymine HMDB00079 Proline 4-Hydroxybutyric acid HMDB00710 Cysteinylglycine HMDB00078 L-glycyl-L-hydroxyproline HMDB28842 Glycocholic acid HMDB00138 Lactic acid HMDB00190 N-Acetylneuraminic acid HMDB00230 Gluconate HMDB00625 Glycolic acid uric acid HMDB00289 Phenylpropionylglycine HMDB00860 Pregnenolone sulfate Nicotinic acid mononucleotide Indoxyl sulfate Acetylglycine HMDB00532 3,3',4'5-Tetrahydroxystilbene HMDB04215 Isovalerylsarcosine HMDB02087 Leucinic acid HMDB00665 D-Glucuronic acid HMDB00127 Hypoxanthine HMDB00157 4-hydroxy-proline dUMP HMDB01409 Thiamine HMDB00235 p-Cresol HMDB01858 Hydrogen sulfite Hippuric acid HMDB00714 3-Furoic acid HMDB00444 2-Phenylacetamide HMDB10715 Carnitine HMDB00062 Hexanoylcarnitine HMDB00705 Decanoylcarnitine HMDB00651 Octanoylcarnitine HMDB00791 Succinic acid semialdehyde Succinyladenosine HMDB00912 Glutamylphenylalanine HMDB00594 L-arginine HMDB00517 choline HMDB00097 Trimethylamine HMDB00906 Delta-hydroxylysine HMDB00450 Indole-5,6-quinone HMDB06779 Allyl isothiocyanate 5-Amino-6-ribitylamino uracil 20-Carboxyleukotriene B4 2-Furoylglycine HMDB00439 Methylnoradrenaline HMDB02832 Norepinephrine sulfate Norophthalmic acid HMDB05766 Benzaldehyde HMDB06115 Coproporphyrin Bilirubin HMDB00054 3-Indolebutyric acid HMDB02096 Galactose HMDB00143 Dihydrouracil HMDB00076 Tetrahydroneopterin HMDB00942 Ribothymidine HMDB00884 3-Methylglutaconic acid HMDB00522 2-Deoxyribonic acid HMDB00366 7b-Hydroxydehydroepiandrosterone HMDB04624 Butyrylcarnitine HMDB02013 Proline betaine 3,4,5-Trimethoxycinnamic acid HMDB02511 Methylguanidine HMDB01522 Quinone HMDB03364 N-Glycolylneuraminic acid HMDB00833 1,11-Undecanedicarboxylic acid HMDB02327 L(-)-Sorbose HMDB01266 Estradiol-17beta 3-sulfate Dimethyl sulfoxide 2,4-Dichlorophenol HMDB04811 Riboflavin HMDB00244 Urea HMDB00294 Estrone sulfate Indoxyl HMDB04094 Testosterone HMDB00234 LysoPC(16:0) HMDB10382 B-Sulfinyl pyruvate 2-Hydroxy-2-methylbutyric acid HMDB01987 cis-5-Tetradecenoylcarnitine HMDB02014 Progesterone HMDB01830 Betaine HMDB00043 Pipecolic acid Histidylproline diketopiperazine Dodecanoylcarnitine HMDB02250 Cytidine HMDB00089 Sphingosine HMDB00252 DL-2-Aminooctanoic acid HMDB00991 Monoisobutyl phthalic acid Traumatic acid HMDB00933 Pyrrolidonecarboxylic acid Homocysteic acid HMDB02205 Kynurenine HMDB00684 Phenylglyoxylic acid HMDB01587 Pseudouridine HMDB00767 N1-Methyl-4-pyridone-3-carboxamide HMDB04194 Dimethyltryptamine HMDB05973 Dimethyl sulfone Indoleacrylic acid HMDB00734 Tryptophan HMDB00929 Mannitol 1-phosphate Ecgonine HMDB06548 Acetylcarnitine HMDB00201 Glutarylglycine HMDB00590 N-a-Acetyl-L-arginine HMDB04620 LysoPC(16:1(9Z)) HMDB10383 N-Formyl-L-methionine HMDB01015 LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB10404 3-Pyridylacetic acid HMDB01538 uracil HMDB00300 Myoinositol Cortisol HMDB00063 Guanidinosuccinic acid HMDB03157 Androstenedione HMDB00053 Alpha-N-Phenylacetyl-L-glutamine HMDB06344 Histidine creatinine HMDB00562 Trimethylamine N-Oxide 2-cholo-phenylalanine Heptadecanoic acid HMDB02259 Leucine HMDB00687 METABOLITES_END #END