#METABOLOMICS WORKBENCH amitch_20151211_9901041_mwtab.txt DATATRACK_ID:454 efahy_20151227_122651 STUDY_ID:ST000292 ANALYSIS_ID:AN000466 PROJECT_ID:PR000233 VERSION 1 CREATED_ON December 27, 2015, 12:26 pm #PROJECT PR:PROJECT_TITLE LC-MS Based Approaches to Investigate Metabolomic Differences in the Urine and PR:PROJECT_TITLE Plasma of Young Women after Drinking Cranberry Juice or Apple Juice PR:PROJECT_SUMMARY The present study aimed to investigate overall metabolic changes caused by PR:PROJECT_SUMMARY cranberry juice or apple juice consumption using a global LC-MS based PR:PROJECT_SUMMARY metabolomics approach. PR:INSTITUTE University of Florida PR:DEPARTMENT Food Science and Nutrition PR:LABORATORY Gu PR:LAST_NAME Liu PR:FIRST_NAME Haiyan PR:ADDRESS -- PR:EMAIL haiyan66@ufl.edu PR:PHONE 352-392-1991x210 #STUDY ST:STUDY_TITLE LC-MS Based Approaches to Investigate Metabolomic Differences in the Plasma of ST:STUDY_TITLE Young Women after Drinking Cranberry Juice or Apple Juice ST:STUDY_TYPE drug dosage ST:STUDY_SUMMARY Eighteen healthy female college students between 21-29 years old with a normal ST:STUDY_SUMMARY BMI of 18.5-25 were recruited. Each subject was provided with a list of foods ST:STUDY_SUMMARY that contained significant amount of procyanidins, such as cranberries, apples, ST:STUDY_SUMMARY grapes, blueberries, chocolate and plums. They were advised to avoid these foods ST:STUDY_SUMMARY during the 1-6th day and the rest of the study. On the morning of the 7th day, a ST:STUDY_SUMMARY first-morning baseline urine sample and blood sample were collected from all ST:STUDY_SUMMARY human subjects after overnight fasting. Participants were then randomly ST:STUDY_SUMMARY allocated into two groups (n=9) to consume cranberry juice or apple juice. Six ST:STUDY_SUMMARY bottles (250 ml/bottle) of juice were given to participants to drink in the ST:STUDY_SUMMARY morning and evening of the 7th, 8th, and 9th day. On the morning of 10th day, ST:STUDY_SUMMARY all subjects returned to the clinical unit to provide a first-morning urine ST:STUDY_SUMMARY sample after overnight fasting. The blood sample was also collected from ST:STUDY_SUMMARY participants 30 min later after they drank another bottle of juice in the ST:STUDY_SUMMARY morning. After two-weeks of wash out period, participants switched to the ST:STUDY_SUMMARY alternative regimen and repeated the protocol. One human subject was dropped off ST:STUDY_SUMMARY this study because she missed part of her appointments. Another two human ST:STUDY_SUMMARY subjects were removed from urine metabolomics analyses because they failed to ST:STUDY_SUMMARY provide required urine samples after juice drinking.The present study aimed to ST:STUDY_SUMMARY investigate overall metabolic changes caused by procyanidins concentrates from ST:STUDY_SUMMARY cranberries and apples using a global LCMS based metabolomics approach. All ST:STUDY_SUMMARY plasma and urine samples were stored at -80oC until analysis. ST:INSTITUTE University of Florida ST:DEPARTMENT SECIM ST:LABORATORY Gu ST:LAST_NAME Liu ST:FIRST_NAME Haiyan ST:ADDRESS -- ST:EMAIL haiyan66@ufl.edu ST:PHONE 352-392-1991x210 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 51 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:SUBJECT_COMMENTS Gu_subjects_human.txt #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - b1 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b2 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b3 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b4 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b6 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b7 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b8 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b9 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b10 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b11 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b12 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b13 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b14 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b15 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b16 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b17 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - b18 Treatment :Baseline plasma SUBJECT_SAMPLE_FACTORS - c1 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c2 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c3 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c4 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c6 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c7 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c8 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c9 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c10 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c11 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c12 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c13 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c14 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c15 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c16 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c17 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - c18 Treatment :Plasma after drinking cranberry juice SUBJECT_SAMPLE_FACTORS - a1 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a2 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a3 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a4 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a6 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a7 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a8 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a9 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a10 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a11 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a12 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a13 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a14 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a15 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a16 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a17 Treatment :Plasma after drinking apple juice SUBJECT_SAMPLE_FACTORS - a18 Treatment :Plasma after drinking apple juice #COLLECTION CO:COLLECTION_SUMMARY n/a CO:COLLECTION_PROTOCOL_FILENAME Gu_collection_human.txt #TREATMENT TR:TREATMENT_SUMMARY n/a TR:TREATMENT_PROTOCOL_FILENAME Gu_treatment_human.txt #SAMPLEPREP SP:SAMPLEPREP_SUMMARY n/a SP:SAMPLEPREP_PROTOCOL_FILENAME Metabolomics_LCMSProtocol_plasma.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Scientific-Dionex Ultimate 3000 CH:COLUMN_NAME ACE Excel 2 C18-PFP (100 x 2.1mm, 2um) CH:METHODS_FILENAME Metabolomics_LCMSProtocol_plasma.pdf CH:INTERNAL_STANDARD Appendix A - Internal Standard Prep GLCMS.pdf #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_NAME Thermo Scientific Q-Exactive #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples b4 b18 c13 b15 b12 a8 c6 b10 b14 c15 c9 b16 b8 a18 c10 c14 a12 b13 c4 a10 b1 c2 c8 b3 a9 a6 b11 b17 a2 c12 c11 a4 a13 b7 a11 c17 c3 a15 a7 a1 a16 c7 b6 a17 b2 a3 b9 c16 a14 c18 c1 Factors Treatment :Baseline plasma Treatment :Baseline plasma Treatment :Plasma after drinking cranberry juice Treatment :Baseline plasma Treatment :Baseline plasma Treatment :Plasma after drinking apple juice Treatment :Plasma after drinking cranberry juice Treatment :Baseline plasma Treatment :Baseline plasma Treatment :Plasma after drinking cranberry juice Treatment :Plasma after drinking cranberry juice Treatment :Baseline plasma Treatment :Baseline plasma Treatment :Plasma after drinking apple juice Treatment :Plasma after drinking cranberry juice Treatment :Plasma after drinking cranberry juice Treatment :Plasma after drinking apple juice Treatment :Baseline plasma Treatment :Plasma after drinking cranberry juice Treatment :Plasma after drinking apple juice Treatment :Baseline plasma Treatment :Plasma after drinking cranberry juice Treatment :Plasma after drinking cranberry juice Treatment :Baseline plasma Treatment :Plasma after drinking apple juice Treatment :Plasma after drinking apple juice Treatment :Baseline plasma Treatment :Baseline plasma Treatment :Plasma after drinking apple juice Treatment :Plasma after drinking cranberry juice Treatment :Plasma after drinking cranberry juice Treatment :Plasma after drinking apple juice Treatment :Plasma after drinking apple juice Treatment :Baseline plasma Treatment :Plasma after drinking apple juice Treatment :Plasma after drinking cranberry juice Treatment :Plasma after drinking cranberry juice Treatment :Plasma after drinking apple juice Treatment :Plasma after drinking apple juice Treatment :Plasma after drinking apple juice Treatment :Plasma after drinking apple juice Treatment :Plasma after drinking cranberry juice Treatment :Baseline plasma Treatment :Plasma after drinking apple juice Treatment :Baseline plasma Treatment :Plasma after drinking apple juice Treatment :Baseline plasma Treatment :Plasma after drinking cranberry juice Treatment :Plasma after drinking apple juice Treatment :Plasma after drinking cranberry juice Treatment :Plasma after drinking cranberry juice (-)-Columbianetin 0 1.85E+03 1.64E+03 1.48E+03 1.61E+03 1.89E+03 1.72E+03 0 0 0 0 0 1.87E+03 2.08E+03 0 0 1.61E+03 0 2.16E+03 1.73E+03 0 0 1.96E+03 1.6E+03 0 0 1.77E+03 1.95E+03 0 0 0 1.67E+03 0 4.23E+03 1.48E+03 1.82E+03 0 0 0 1.86E+03 0 0 0 1.67E+03 0 1.88E+03 0 0 0 1.75E+03 0 (-)-Glyceollin I 2.16E+05 1.69E+04 3.01E+04 2.86E+04 2.4E+04 8.89E+03 3.72E+04 9.47E+03 2.96E+04 1.8E+04 6.15E+04 5.32E+03 1.24E+04 3.68E+05 1.89E+05 1.69E+04 3.27E+04 2.43E+04 5.18E+03 1.98E+04 1.66E+04 1.34E+05 3.63E+04 2.97E+04 6.98E+03 2.16E+04 1.38E+04 1.51E+04 5.7E+03 4.98E+05 3.44E+05 8.63E+03 1.56E+04 9.49E+04 2.2E+05 1.85E+04 1.79E+04 1.81E+04 2.64E+04 1.34E+04 1.81E+05 1.98E+04 2.18E+04 5.06E+04 4.38E+04 5.77E+03 5.77E+04 2.63E+04 5.15E+04 1.96E+03 3.44E+05 (-)-Jasmonic acid 4.6E+05 8.41E+03 5.08E+06 3.13E+05 3.85E+04 1.9E+05 3.24E+04 5.2E+04 1.48E+05 1.93E+05 4.74E+03 4.75E+04 2.12E+05 6.3E+04 1.07E+05 1.06E+05 7.69E+04 2.45E+05 2.35E+04 1.12E+05 1.01E+04 1.35E+05 2.06E+05 6.83E+04 1.09E+04 8.89E+04 5.43E+04 5.73E+04 2.41E+04 6.98E+03 7.54E+04 2.15E+04 1.01E+05 4.06E+05 5.51E+04 8.47E+04 4.81E+04 9.35E+04 8.04E+04 1.24E+04 6.82E+03 8.03E+04 2.34E+04 1.9E+05 3.51E+04 1.09E+05 6.41E+03 3.53E+04 1.19E+04 1.38E+04 1.08E+04 (-)-Limonene_1 7.74E+05 1.26E+06 1.05E+06 1.35E+06 2.4E+06 9.92E+05 9.78E+05 9.46E+05 9.26E+05 1.26E+06 1.06E+06 9.08E+05 1E+06 8.33E+05 1.05E+06 1.86E+06 8.8E+05 9.31E+05 1.42E+06 9.67E+05 9.6E+05 1.28E+06 3.96E+06 9.23E+05 8.73E+05 9.45E+05 8.78E+05 1.06E+06 1.66E+06 1.95E+06 1.62E+06 9.47E+05 8.91E+05 2.71E+06 1.11E+06 9.83E+05 1.15E+06 8.97E+05 1.06E+06 1.01E+06 9.28E+05 2.57E+06 9.74E+05 8.88E+05 1.38E+06 9.69E+05 1.79E+06 1.48E+06 8.54E+05 1.66E+06 9.02E+05 (-)-Limonene_2 3.26E+05 3.88E+05 2.95E+05 2.79E+05 3.82E+05 3.49E+05 3.06E+05 3.04E+05 2.91E+05 3.28E+05 3E+05 2.74E+05 3.66E+05 3.44E+05 3.4E+05 5.08E+05 3.35E+05 3.66E+05 3.21E+05 3.46E+05 3.26E+05 3.43E+05 4.8E+05 3.14E+05 3.38E+05 3.44E+05 3.29E+05 3.35E+05 4.59E+05 4.44E+05 5.01E+05 3.46E+05 2.97E+05 4.43E+05 3.1E+05 3.2E+05 3.39E+05 3.14E+05 3.34E+05 3.54E+05 3.13E+05 4.91E+05 3.03E+05 3.72E+05 3.58E+05 3.07E+05 2.79E+05 3.22E+05 3.71E+05 3.8E+05 2.81E+05 (-)-Limonene_3 3.48E+05 1.06E+05 1.9E+05 6.25E+04 1.67E+05 2.72E+05 2.02E+05 1.87E+05 1.7E+05 1.74E+05 4.47E+04 5.54E+04 8.16E+05 1.72E+05 2.27E+05 3.6E+05 9.9E+04 2E+05 1.47E+05 3.1E+04 2.94E+05 4.71E+05 1.7E+05 1.57E+05 3.54E+04 2.27E+05 2.43E+05 2.73E+05 2.76E+05 5.12E+04 2.8E+05 1.07E+05 2.15E+05 3.73E+05 2.65E+05 1.59E+05 1.13E+05 1.48E+05 3.89E+05 1.11E+05 1.64E+04 4.05E+05 1.24E+05 1.4E+05 2.6E+05 1.24E+05 4.4E+05 7.17E+04 5.79E+04 2.22E+05 2.48E+05 (-)-Menthyl acetate_1 1.59E+06 1.64E+06 1.56E+06 1.38E+06 1.7E+06 1.66E+06 1.53E+06 1.57E+06 1.66E+06 1.71E+06 1.59E+06 1.64E+06 1.71E+06 1.7E+06 1.63E+06 1.62E+06 1.66E+06 1.71E+06 1.67E+06 1.6E+06 1.64E+06 1.59E+06 1.66E+06 1.71E+06 1.6E+06 1.55E+06 1.6E+06 1.52E+06 1.52E+06 1.53E+06 1.6E+06 1.62E+06 1.53E+06 1.59E+06 1.63E+06 1.51E+06 1.56E+06 1.54E+06 1.63E+06 1.55E+06 1.49E+06 1.64E+06 1.59E+06 1.65E+06 1.78E+06 1.67E+06 1.74E+06 1.62E+06 1.56E+06 1.62E+06 1.39E+06 (-)-Menthyl acetate_2 1.56E+06 1.44E+06 1.36E+06 1.44E+06 1.47E+06 1.53E+06 1.15E+06 1.56E+06 1.49E+06 1.53E+06 1.36E+06 1.48E+06 1.51E+06 1.57E+06 1.46E+06 1.61E+06 1.57E+06 1.6E+06 1.49E+06 1.51E+06 1.53E+06 1.61E+06 1.51E+06 1.57E+06 1.58E+06 1.61E+06 1.57E+06 1.62E+06 1.55E+06 1.35E+06 1.67E+06 1.66E+06 1.53E+06 1.58E+06 1.36E+06 1.51E+06 1.54E+06 1.63E+06 1.49E+06 1.4E+06 1.52E+06 1.32E+06 1.46E+06 1.43E+06 1.4E+06 1.59E+06 1.7E+06 1.37E+06 1.55E+06 1.5E+06 1.42E+06 (-)-Menthyl acetate_3 2.05E+05 3.07E+05 2.19E+05 2.94E+05 3.23E+05 2.55E+05 8.52E+04 4.59E+05 4.12E+05 3.44E+05 2.95E+05 2.14E+05 3.9E+05 2.48E+05 2.93E+05 2.7E+05 2.05E+05 3.75E+05 2.74E+05 4.15E+05 2.18E+05 2.9E+05 2.37E+05 3.51E+05 3.67E+05 2.85E+05 9.99E+04 3.68E+05 5.55E+05 3.66E+05 3.04E+05 9.11E+04 3.09E+05 2.91E+05 1.47E+05 3.84E+05 2.98E+05 2.44E+05 3.26E+05 3.96E+05 3.54E+05 3.32E+05 3.15E+05 1.86E+05 9.95E+04 3.22E+05 5.66E+05 2.19E+05 2.06E+05 2.82E+05 3.28E+05 (-)-Sympatol_1 6.37E+05 4E+05 7.32E+05 4.35E+05 6.94E+05 5.37E+05 9.74E+05 2.14E+05 4.08E+05 5.31E+05 7.19E+05 3.45E+05 6.04E+05 5.88E+05 4.07E+05 5.37E+05 4.28E+05 1.31E+06 2.99E+05 2.2E+05 2.73E+05 4.3E+05 7.87E+05 3.77E+05 1.19E+06 2.76E+05 3.08E+05 2.56E+05 3.14E+05 4.96E+05 2.39E+05 8.86E+05 5.23E+05 4.66E+05 2.1E+05 1.33E+05 3.39E+05 4.63E+05 8.27E+04 4.37E+05 4.2E+05 3.3E+05 3.54E+05 3.71E+05 2.16E+05 3.82E+05 8E+05 8.8E+05 3.01E+05 2.1E+05 8.23E+05 (-)-Sympatol_2 3.17E+05 2.11E+05 1.51E+05 3.11E+05 2.63E+05 2.97E+05 3.1E+05 2.74E+05 2.57E+05 2.55E+05 2.76E+05 2.87E+05 2.89E+05 3.14E+05 2.56E+05 2.68E+05 2.88E+05 2.45E+05 2.9E+05 2.43E+05 2.57E+05 2.51E+05 2.52E+05 1.15E+05 3.12E+05 2.38E+05 2.71E+05 2.57E+05 2.77E+05 2.53E+05 2.94E+05 2.34E+05 3.14E+05 2.58E+05 1.65E+05 2.24E+05 2.71E+05 2.1E+05 2.37E+05 2.61E+05 2.52E+05 2.28E+05 2.51E+05 2.64E+05 2.99E+05 1.46E+05 3.2E+05 2.73E+05 2.48E+05 1.97E+05 8.76E+04 (+)-Camphor_1 1.06E+05 1.52E+05 4.61E+05 1.37E+06 1.15E+06 5.61E+05 2.54E+05 4.5E+04 1.67E+05 4.99E+05 8.7E+05 1.24E+05 2.82E+05 1.32E+04 1.43E+05 9.91E+04 4.57E+04 3.62E+05 8.79E+05 2.52E+05 1.26E+05 1.71E+06 1.9E+06 1.12E+05 7.12E+05 4.46E+04 1.24E+05 6.82E+05 1.97E+06 6.3E+05 2.65E+05 4.62E+04 2.85E+05 5.69E+04 1.69E+05 5.67E+05 2.57E+05 8.06E+04 3.37E+04 1.24E+05 1.14E+05 1.65E+04 5.62E+04 6.6E+04 1.73E+06 1.47E+05 5.27E+06 3.35E+05 8.31E+04 1.63E+05 5.83E+05 (+)-Camphor_2 1.4E+05 1.86E+05 1.13E+05 3.5E+05 4.94E+05 2.81E+05 1.68E+05 1.69E+05 2.26E+05 1.96E+05 1.23E+06 7E+04 4.37E+05 1.6E+05 1.62E+05 2.7E+05 3.23E+05 9.5E+04 1.37E+05 6.04E+05 1.17E+05 1.67E+05 1.05E+06 4.37E+05 7.53E+05 2.52E+05 2.73E+05 1.34E+06 9.25E+05 3.8E+05 2.63E+05 8.6E+04 1.29E+05 6.07E+04 2.15E+05 2.9E+05 2.35E+05 1.64E+05 4.71E+04 1.89E+05 9.84E+04 1.79E+05 1.23E+05 7.29E+04 1.81E+05 8.41E+04 1.18E+06 3.59E+04 1.32E+05 9.87E+04 1.14E+05 (+)-Camphor_3 7.88E+04 1.88E+05 1.41E+05 9.92E+04 1.77E+05 4.05E+04 2.37E+05 5.61E+04 3.29E+05 1.3E+05 1.57E+05 1.02E+05 2.44E+05 1.78E+05 1.39E+05 1.02E+05 7.95E+04 8.49E+04 1.36E+05 1.88E+05 1.13E+05 7.95E+04 5.34E+04 5.62E+04 5.99E+04 1.74E+05 9.86E+04 1.64E+05 2.35E+05 1.13E+05 4.42E+04 1.01E+05 1.91E+05 1.36E+05 1.1E+05 7.8E+04 1.82E+05 1.97E+05 3.33E+05 1.97E+05 8.32E+04 1.78E+05 1.77E+05 1.12E+05 2.24E+05 1.5E+05 1.73E+05 9.04E+04 1.71E+05 2.22E+05 1.54E+05 (+)-Norephedrine 2.23E+03 2.48E+03 2.14E+03 2.14E+03 2.54E+03 2.03E+03 1.88E+03 986 2.08E+03 4.09E+03 1.63E+03 2.13E+03 2.29E+03 6E+03 2.83E+03 2.07E+03 1.77E+03 2.14E+03 1.25E+03 1.24E+03 0 2.37E+03 1.41E+03 1.94E+03 4.41E+03 2.06E+03 2.41E+03 2.12E+03 2.48E+03 1.29E+03 4.04E+03 4E+03 1.82E+03 2.27E+03 1.9E+03 5.9E+03 3.72E+03 3.89E+03 2.31E+03 2.13E+03 3.88E+03 2.49E+03 2.16E+03 2.25E+03 1.77E+03 1.22E+03 1.98E+03 1.92E+03 2.16E+03 1.77E+03 4.25E+03 (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol 2.1E+06 1.86E+06 1.62E+06 1.93E+06 1.86E+06 2.01E+06 1.32E+06 2.22E+06 2.11E+06 2.09E+06 1.76E+06 2.11E+06 2.04E+06 2.1E+06 2.02E+06 2.21E+06 2.07E+06 2.09E+06 1.92E+06 2.07E+06 2.09E+06 1.84E+06 2.06E+06 2.06E+06 1.95E+06 1.98E+06 2.07E+06 1.73E+06 1.91E+06 1.76E+06 1.97E+06 1.74E+06 1.93E+06 1.92E+06 1.6E+06 1.92E+06 1.79E+06 1.87E+06 1.5E+06 1.7E+06 1.74E+06 1.6E+06 1.6E+06 1.65E+06 1.61E+06 1.66E+06 2.13E+06 1.68E+06 1.67E+06 1.78E+06 2.12E+06 (10S)-Juvenile hormone III acid diol 3.77E+03 1.14E+03 3.7E+03 7.58E+03 1.91E+03 2.44E+03 2.77E+03 1.76E+03 2.3E+03 2.41E+03 1.2E+03 2.35E+03 2.83E+03 2.07E+03 2.74E+03 3.77E+03 3.68E+03 2.54E+03 2.39E+03 1.72E+03 3.45E+03 9.03E+03 1.25E+03 3.43E+03 2.34E+03 5.75E+03 2.21E+03 2.07E+03 2.01E+03 2.82E+03 2.07E+03 2.04E+03 2.55E+03 2.01E+03 5.26E+03 3.79E+03 2.03E+03 1.71E+03 1.86E+03 2.23E+03 2E+03 1.35E+03 1.83E+03 8.85E+03 1.06E+03 1.75E+03 4.54E+03 3.24E+03 2.22E+03 1.77E+03 4.29E+03 (10S)-Juvenile hormone III diol 8.83E+03 4.16E+03 1.18E+03 2.75E+03 5.79E+03 1.14E+04 4.82E+03 4.48E+03 6.14E+03 2.93E+03 2.32E+03 4.03E+03 1.16E+03 3.41E+03 1.76E+03 2.12E+03 3.26E+03 2.39E+03 5.24E+03 6.07E+03 1.65E+03 1.03E+03 3.47E+03 4.05E+03 4.31E+03 2.59E+03 2.96E+03 3.86E+03 1.89E+03 968 3.94E+03 2.74E+03 2.49E+03 952 2.05E+03 1.14E+03 4.98E+03 3.76E+03 8.95E+03 1.67E+03 3.28E+03 1.25E+03 2.7E+03 2.91E+03 3.31E+03 3.66E+03 6.8E+03 5.69E+03 4.46E+03 5.93E+03 7.07E+03 (3-Arylcarbonyl)-alanine 2.33E+06 2.3E+06 3.99E+06 2.72E+06 4.41E+06 1.53E+06 2E+06 4.92E+06 2.86E+06 2E+06 3.44E+06 2.03E+06 2.77E+06 1.72E+06 2.1E+06 2.14E+06 3.59E+06 4.41E+06 2.92E+06 2.99E+06 2.86E+06 2.74E+06 3.1E+06 2.78E+06 4.75E+06 1.23E+06 2.77E+06 2.41E+06 1.18E+06 1.97E+06 1.75E+06 2.54E+06 3.09E+06 2.13E+06 1.69E+06 2.81E+06 2.36E+06 2.12E+06 1.37E+06 1.36E+06 2.39E+06 2.34E+06 1.71E+06 1.78E+06 2.67E+06 4.4E+06 4.62E+06 1.88E+06 2.19E+06 2.06E+06 2.61E+06 (3S,5S)-Carbapenam-3-carboxylic acid 3.24E+05 4.36E+05 4.68E+05 1.96E+05 2.47E+05 1.17E+05 5.29E+05 1.35E+05 1.38E+05 1.4E+05 5.46E+05 3.31E+05 1.38E+05 3.73E+05 2.98E+05 3.66E+05 4.35E+05 4.35E+05 1.67E+05 1.94E+05 4.21E+05 2.85E+05 1.8E+05 3.15E+04 2.12E+05 2.63E+05 1.48E+05 2.62E+05 2.39E+05 4.38E+05 2.99E+05 2.96E+05 2.85E+05 3.5E+05 2.87E+05 2.48E+05 3.89E+04 3.65E+05 2.69E+05 2.6E+05 1.06E+05 3.27E+04 2.37E+05 2.13E+05 3.51E+05 2.69E+05 2.85E+05 4.03E+05 2.3E+05 2.57E+05 5.14E+05 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid 8.41E+06 2.57E+06 3.58E+06 1.59E+06 1.02E+06 9.72E+05 1.1E+06 3.18E+05 1.46E+06 3.79E+06 2.71E+06 2.06E+06 2.47E+05 2.15E+06 1.38E+06 2E+06 1.73E+06 1.46E+06 8.42E+05 9.25E+05 1.96E+06 8.52E+06 1.43E+06 2.58E+06 8.23E+05 8.74E+05 1.94E+06 1.79E+06 1.91E+06 1.6E+06 2.61E+06 1.25E+06 9.58E+05 6.56E+06 1.03E+06 2.69E+06 3.63E+06 6.4E+06 6.86E+06 4.45E+05 4.29E+06 2.45E+06 1.61E+06 1.24E+06 2.18E+06 5.06E+06 1.67E+07 1.41E+06 1.64E+06 5.66E+06 9.11E+05 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_1 7.19E+06 3.3E+06 1.26E+06 1.27E+06 2.37E+06 1.94E+06 1.1E+06 4.6E+05 2.29E+06 1.63E+06 2.95E+06 3.42E+06 1.68E+05 2.13E+06 1.05E+06 1.88E+06 8.68E+06 4.65E+05 5.05E+05 3.95E+05 2.87E+06 1.08E+07 1.04E+06 2.17E+06 4.01E+06 5.55E+05 1.49E+06 1.46E+06 3.02E+06 1.54E+06 2.89E+06 1.43E+06 7.16E+05 1.11E+06 7.46E+06 4.01E+06 7.3E+06 2.03E+06 3.95E+06 1.59E+06 3.36E+06 6E+05 1.04E+06 1.48E+06 1.96E+06 7.04E+06 2E+07 2.14E+06 5.24E+06 5.53E+06 2.53E+06 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_2 1.06E+06 6.66E+05 3.82E+05 1.4E+05 5.15E+05 8.09E+05 5.34E+05 4.36E+05 1.59E+06 1.95E+05 2.63E+05 5.07E+05 1.17E+05 2.28E+05 2.18E+05 2.73E+06 6.75E+05 1.79E+05 1.89E+05 2.34E+05 3.08E+05 1.56E+06 3.39E+05 3.9E+05 3.42E+05 1.82E+05 3.89E+05 2.9E+05 9.13E+05 2.67E+05 2.05E+05 2.68E+05 2.65E+05 1.68E+05 7E+05 4.7E+05 4.16E+05 4.57E+05 1.02E+06 2.43E+05 7.08E+05 1.42E+05 6.22E+04 1.88E+05 4.3E+05 1.3E+06 3E+06 5.05E+05 1.44E+06 6.86E+05 3.74E+05 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_3 1.8E+05 4.21E+05 1.78E+05 1.85E+05 6.17E+05 1.45E+05 1.54E+05 2.95E+05 3.01E+06 2.38E+05 1.24E+05 1.65E+05 6.79E+04 9.5E+04 1.85E+05 1.87E+06 7.07E+05 7.22E+04 3.81E+05 1.27E+05 3.26E+05 5.66E+05 2.33E+05 9.34E+04 1.31E+05 9.22E+04 1.29E+05 3.62E+05 2.8E+05 1.74E+05 1.44E+05 1.77E+04 1.51E+05 9.68E+04 2.61E+05 5.51E+05 3.07E+05 3.07E+05 5.34E+05 2.88E+05 2.48E+05 7.86E+03 1.5E+04 2.18E+05 3.01E+05 5.31E+05 1.32E+06 2.97E+05 2.16E+06 2.67E+05 1.04E+06 (6S,9R)-Vomifoliol 2.32E+05 1.6E+05 1.41E+06 1.38E+05 1.93E+05 1.86E+05 1.95E+05 2E+05 4.55E+05 2.73E+05 2.05E+05 9.68E+05 2.06E+05 2.19E+05 2.12E+05 2.96E+05 7.89E+04 4.45E+05 1.91E+05 2.05E+05 8.27E+04 8.7E+05 6.35E+05 2.6E+05 1.6E+05 1.93E+05 1.71E+05 2.53E+05 1.97E+05 1.88E+05 2.37E+05 1.63E+05 6.43E+05 8.66E+05 1.58E+05 2.53E+05 1.89E+05 3.43E+05 4.2E+05 1.75E+05 2.59E+05 2.59E+05 1.71E+05 1.94E+05 4.12E+05 2.5E+05 1.22E+06 1.89E+05 1.81E+05 3.36E+05 1.62E+05 (6Z,9Z,12Z)-Octadecatrienoic acid_1 7.98E+06 3.03E+06 1.49E+06 1.54E+06 1.33E+06 6.91E+05 1.37E+06 6.11E+05 2.91E+06 2.65E+06 8.09E+05 2.31E+06 1.05E+06 1.38E+06 2.06E+06 3.07E+06 1.6E+06 2.98E+06 7.85E+05 6.61E+05 1.57E+06 1.58E+07 9.98E+05 2.37E+06 4.11E+05 1.11E+06 2.82E+06 2.55E+06 2.96E+06 9.83E+05 4.76E+06 1.66E+06 6.18E+05 6.86E+06 6.43E+05 2.69E+06 2.13E+06 5E+06 6.53E+06 6.63E+05 1.86E+06 3.05E+06 1.52E+06 1.07E+06 3.35E+06 1.93E+06 1.7E+07 1.9E+06 2.03E+06 4.7E+06 1.29E+06 (6Z,9Z,12Z)-Octadecatrienoic acid_2 2.22E+06 7.07E+05 5.75E+05 2.55E+06 7.74E+05 7.56E+05 5.56E+05 7.21E+05 8.83E+05 1.69E+06 6.94E+05 1.64E+06 8.09E+05 8.68E+05 8.24E+05 3.74E+05 6.8E+05 7.99E+05 1.15E+06 7.78E+05 1.65E+06 1.36E+06 1.45E+06 6.15E+05 7.45E+05 7.67E+05 6.68E+05 1.15E+06 5.52E+05 4.9E+05 1.63E+06 8.51E+05 7.54E+05 1.33E+06 5.28E+05 7.76E+05 1.64E+06 8.68E+05 1.1E+06 7.68E+05 1.81E+06 7.77E+05 1.1E+06 6.83E+05 6.73E+05 1.01E+06 1.69E+06 5.32E+05 1.09E+06 1.25E+06 2.24E+06 (8Z,11Z,14Z)-Icosatrienoic acid 5.26E+05 1.21E+05 2.48E+04 5.15E+03 5.21E+04 4.6E+03 5.36E+04 2.45E+03 1.9E+04 1.61E+05 1.53E+05 1.47E+05 9.34E+03 7.57E+04 5.62E+04 9.91E+04 5.18E+04 7.34E+04 3.99E+04 2.68E+04 1.18E+05 6.89E+05 1.64E+04 1.4E+05 6.9E+04 3.4E+04 1.03E+05 7.08E+04 1.42E+05 8.66E+04 1.73E+05 6.99E+04 4.88E+04 3.43E+05 2.54E+04 1.48E+05 1.86E+05 3.63E+05 2.87E+05 1.03E+04 2.5E+05 1.41E+05 8.18E+04 5.26E+03 1.6E+05 3.31E+05 2.47E+06 1.22E+05 4.29E+04 3.32E+05 4.58E+04 (9Z)-Hexadecenoic acid_1 7.09E+05 5.67E+05 5.04E+05 4.85E+05 7.76E+05 4.9E+05 3.25E+05 4.14E+05 4.78E+05 4.97E+05 6.86E+05 4.96E+05 4.53E+05 5.37E+05 4.89E+05 4.72E+05 3.99E+05 3.87E+05 4.97E+05 5.51E+05 4.52E+05 5.27E+05 4.19E+05 4.39E+05 4.71E+05 3.67E+05 4.45E+05 3.82E+05 3.49E+05 3.9E+05 3.58E+05 3.71E+05 4.86E+05 5.04E+05 3.86E+05 3.57E+05 4.79E+05 4.37E+05 4.4E+05 3.8E+05 6.68E+05 4.92E+05 4.12E+05 3.13E+05 3.39E+05 4.83E+05 1.39E+06 3.89E+05 3.12E+05 4.98E+05 5.79E+05 (9Z)-Hexadecenoic acid_2 1.69E+06 2.45E+05 2.71E+05 3.1E+05 4.79E+05 2.54E+05 3.91E+05 4.43E+05 4.31E+05 3.86E+05 4.72E+05 4.08E+05 3.4E+05 1.67E+05 3.65E+05 4.82E+05 3.61E+05 3.57E+05 3.75E+05 3.1E+05 3.21E+05 3.87E+06 4.35E+05 3.59E+05 4.75E+05 3.95E+05 3.15E+05 3.74E+05 5.52E+05 4.08E+05 6.78E+05 3.04E+05 3.71E+05 1.26E+06 3.71E+05 6.94E+05 5.43E+05 5.8E+05 4.62E+05 4E+05 7.41E+05 7.09E+05 5.15E+05 4.57E+05 7.56E+05 3.61E+05 1.53E+07 4.67E+05 2.7E+05 4.31E+05 1.74E+05 (9Z)-Hexadecenoic acid_3 5.06E+05 3.81E+05 1.91E+05 1.53E+05 2.97E+05 1.18E+05 3.02E+05 4.2E+04 2.28E+05 4.61E+05 2.08E+05 2.43E+05 3.13E+05 7.62E+04 1.07E+05 2.06E+05 2.25E+05 2.54E+05 2.08E+05 6.68E+04 2.08E+05 5.79E+05 5.06E+04 2.3E+05 9.1E+04 2.96E+05 3E+05 1.19E+05 1.5E+05 1.48E+05 2.73E+05 6.66E+04 3.48E+05 3.04E+05 2.29E+05 2.63E+05 1.33E+05 3.77E+05 4.33E+05 7.8E+04 2.2E+05 3.75E+05 2.8E+05 9.08E+04 3.1E+05 8.77E+04 1.28E+06 2.01E+05 1.46E+05 4.33E+05 1.24E+05 (9Z)-Octadecenoic acid 6.1E+05 7.54E+04 1.21E+05 3.83E+04 3.61E+05 1.86E+05 8.52E+04 1.38E+05 1.99E+05 3.69E+05 6.03E+05 1.33E+05 1.89E+05 7.51E+04 3.73E+05 3.61E+05 1.32E+05 1.26E+05 1.05E+05 1.23E+05 1.73E+05 5.25E+05 1.48E+05 1.09E+05 1.7E+05 1.86E+05 2.1E+05 7.33E+04 1.21E+05 1.12E+05 1.59E+05 9.53E+04 8.23E+04 2.36E+05 1.5E+05 9.71E+05 8.49E+05 2.25E+05 3.73E+05 3.55E+05 3.1E+05 9.6E+04 1.82E+05 3.76E+04 1.66E+05 4.51E+05 1.1E+06 2.84E+05 9.52E+04 3.88E+05 5.6E+04 (9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_1 3.7E+06 3.25E+06 1.57E+06 3.67E+06 3.17E+06 1.92E+06 2.59E+06 2.01E+06 1.9E+06 3.29E+06 3.35E+06 1.91E+06 3.3E+06 3.09E+06 1.98E+06 1.64E+06 1.69E+06 2.96E+06 1.64E+06 1.73E+06 2.8E+06 1.62E+06 1.69E+06 2.89E+06 2.45E+06 2.61E+06 2.66E+06 1.45E+06 2.53E+06 1.35E+06 1.58E+06 1.55E+06 2.51E+06 1.59E+06 1.5E+06 1.63E+06 1.56E+06 1.76E+06 1.72E+06 2.5E+06 1.47E+06 1.6E+06 1.85E+06 1.52E+06 1.69E+06 1.63E+06 2.63E+06 1.49E+06 1.4E+06 3.14E+06 4.02E+06 (9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_2 1.54E+06 1.17E+06 9.72E+05 9.58E+05 1.09E+06 1.45E+06 7.48E+05 1.22E+06 1.14E+06 1.05E+06 8.14E+05 1.28E+06 1.18E+06 1.23E+06 1.19E+06 1.09E+06 1.2E+06 1.14E+06 1.02E+06 1.07E+06 9.33E+05 8.96E+05 1.03E+06 1.94E+06 9.5E+05 9.64E+05 1.16E+06 8.82E+05 1.01E+06 8.69E+05 9.46E+05 1.19E+06 7E+05 8.16E+05 3.42E+05 1.06E+06 9E+05 1.91E+06 1.06E+06 1E+06 1.75E+06 6.58E+05 1.35E+06 9.03E+05 8.66E+05 1.1E+06 1.66E+06 4.4E+05 5.82E+05 1.18E+06 1.6E+06 (E)-4-(Trimethylammonio)but-2-enoate_1 4.82E+08 1.61E+07 5.38E+08 3.72E+07 4E+08 5.66E+08 2.94E+08 1.13E+08 4.96E+08 3.85E+07 3.38E+08 2.9E+08 1.57E+08 2.47E+07 7.38E+07 4.74E+08 1.83E+08 5.75E+08 1.45E+08 1.66E+08 2.16E+08 3.38E+07 1.32E+08 2.04E+07 2.95E+07 1.4E+08 3.8E+08 1.91E+08 7.53E+07 2.25E+08 1.85E+08 1.72E+08 5.33E+08 5.88E+07 6.21E+07 3.9E+08 2.96E+07 6.21E+07 2.92E+07 5.82E+08 9.43E+07 4.05E+07 1.24E+08 1.56E+08 8.67E+07 1.37E+08 2.84E+08 5.19E+08 2.7E+07 1.83E+07 1.8E+08 (E)-4-(Trimethylammonio)but-2-enoate_2 3.32E+06 4.86E+06 4.94E+06 6.14E+06 2.73E+06 4.79E+06 2.54E+06 3.16E+06 5.76E+06 7.38E+06 5.56E+06 4.16E+06 1.48E+07 4.63E+06 3.96E+06 3.28E+06 1.81E+06 2.8E+06 3E+06 2.46E+06 4.01E+06 2.17E+06 8.11E+06 8.57E+05 1.92E+06 3.77E+06 4.31E+06 1.94E+06 6.01E+06 2.44E+06 4.2E+06 2.8E+06 2.6E+06 5.19E+06 2.42E+06 1.75E+06 3.4E+06 1.11E+06 4.86E+06 7.65E+06 2.5E+06 5.23E+06 1.78E+06 3.84E+06 2.45E+06 1.95E+06 8.26E+06 1.34E+06 2.41E+06 3.49E+06 4.19E+06 (E)-4-(Trimethylammonio)but-2-enoate_3 3.08E+06 2.89E+06 4.08E+06 4.39E+06 1.55E+06 3.91E+06 1.91E+06 2.6E+06 4.26E+06 4.71E+06 4.51E+06 3.68E+06 9.18E+06 3.22E+06 2.97E+06 3.02E+06 1.43E+06 9.84E+05 2.1E+06 2.17E+06 2.23E+06 1.17E+06 5.39E+06 1.54E+06 1.48E+06 4.05E+06 3.44E+06 2.19E+06 3.61E+06 1.99E+06 4.34E+06 2.72E+06 2.51E+06 3.53E+06 3.56E+06 1.99E+06 1.95E+06 1.61E+06 3.07E+06 6.08E+06 1.68E+06 2.65E+06 9.57E+05 2.54E+06 1.78E+06 1.05E+06 5.67E+06 1.52E+06 1.75E+06 2.23E+06 2.86E+06 (E)-4-(Trimethylammonio)but-2-enoate_4 1.19E+06 1.57E+06 5.86E+05 1.89E+06 5.23E+05 1.78E+06 4.76E+05 5.41E+05 1.14E+06 4.22E+05 6.64E+05 1.1E+06 1.61E+06 4.9E+05 3.71E+05 7.36E+05 7.9E+05 9.54E+05 8.16E+05 1.15E+06 1.25E+06 6.98E+05 6.32E+05 3.15E+05 3.24E+05 1.7E+06 1.11E+06 3.39E+05 1.9E+06 8.14E+05 1.33E+06 2.85E+05 2.87E+05 9.34E+05 1.31E+06 5.8E+05 8.23E+05 2.74E+05 1.87E+06 2.2E+06 3.31E+05 1.01E+06 3.18E+05 4.55E+05 6.6E+05 2.74E+05 8.8E+05 3.34E+05 7.74E+05 7E+05 2.38E+06 (E)-4-(Trimethylammonio)but-2-enoate_5 3.01E+04 8.78E+04 1.42E+05 3.87E+04 1.85E+05 1.99E+05 4.96E+04 2.74E+04 2.99E+05 7.45E+04 1.07E+05 2.51E+05 3.72E+04 7.22E+03 9.49E+04 1.66E+05 1.32E+05 1.9E+05 7.32E+04 7.06E+04 2.85E+04 6.54E+04 9.05E+03 1.67E+04 1.45E+04 1.08E+05 7.08E+04 2.22E+05 5.88E+04 1.15E+05 3.77E+04 9.08E+03 1.62E+05 9.84E+04 2.89E+04 8.27E+07 3.36E+04 2.07E+04 4.47E+04 4.86E+05 8.18E+04 5.96E+04 5.18E+04 4.37E+06 8.24E+04 1.08E+05 1.82E+05 2.93E+04 4.68E+04 1.18E+04 1.4E+05 (R)-3-((R)-3-Hydroxybutanoyloxy)butanoate 1.18E+08 1.09E+08 9.58E+07 1.04E+08 7.76E+07 1.02E+08 9.88E+07 6.54E+07 8.99E+07 8.05E+07 8.99E+07 1.02E+08 8.84E+07 8.7E+07 7.95E+07 7.83E+07 8.97E+07 6.8E+07 8.07E+07 9.04E+07 8.43E+07 8.85E+07 7.14E+07 8.43E+07 6.93E+07 8.99E+07 7.67E+07 8.46E+07 8.58E+07 6.67E+07 8.17E+07 6.97E+07 6.62E+07 8.31E+07 8.5E+07 7.66E+07 7.65E+07 7.79E+07 8.51E+07 8.03E+07 7.1E+07 8.16E+07 7.69E+07 7.19E+07 8.11E+07 7.94E+07 1.13E+08 5.95E+07 8.23E+07 7.54E+07 1.16E+08 (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1 1.7E+07 1.93E+07 2.73E+07 1.95E+07 1.2E+07 2.2E+07 2.08E+07 2.12E+07 1.64E+07 2E+07 2.41E+07 1.33E+07 2.98E+07 2.49E+07 2.13E+07 1.85E+07 1.26E+07 2.09E+07 1.07E+07 1.32E+07 1.91E+07 1.21E+07 3.99E+07 1.35E+07 1.5E+07 1.6E+07 1.65E+07 1.46E+07 1.81E+07 1.65E+07 1.6E+07 1.72E+07 2.55E+07 2.17E+07 1.3E+07 1.33E+07 1.43E+07 9.23E+06 2.59E+07 2.17E+07 1.5E+07 1.8E+07 1.77E+07 2.65E+07 1.31E+07 9.7E+06 1.79E+07 1.04E+07 1.12E+07 1.87E+07 3.03E+07 (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2 1.39E+07 1.19E+07 1.02E+07 9.87E+06 7.7E+06 1.08E+07 1.22E+07 3.59E+06 1.07E+07 6.52E+06 7.1E+06 1.38E+07 3.03E+06 5.75E+06 3.78E+06 7.26E+06 1.4E+07 3.34E+06 1.23E+07 1.03E+07 1.26E+07 1.04E+07 5.41E+06 1.26E+07 7.33E+06 1.42E+07 1.08E+07 1.21E+07 1.22E+07 7.14E+06 8.5E+06 2.49E+06 3.64E+06 1.44E+07 8.85E+06 8.92E+06 1.26E+07 1.71E+07 6.76E+06 8.59E+06 5.95E+06 1.75E+07 1.28E+07 5.45E+06 1.58E+07 6.73E+06 5.8E+06 3.09E+06 1.36E+07 7.19E+06 2.04E+07 (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_3 1.96E+06 1.55E+06 2.05E+06 1.73E+06 1.41E+06 2.89E+06 2.87E+06 1.51E+06 1.33E+06 7.89E+05 1.39E+06 1.64E+06 4.85E+06 2.35E+06 3.1E+06 1.8E+06 3.11E+06 3.75E+06 8.13E+05 2.8E+06 6.48E+05 1.14E+06 2.58E+06 1.5E+06 1.61E+06 1.54E+06 2.02E+06 9.66E+05 5.22E+05 1.62E+06 1.28E+06 2.21E+06 3.19E+06 1.63E+06 2.85E+06 1.54E+06 8.59E+05 2.14E+06 3.7E+06 1.72E+06 2.69E+06 3.38E+06 1.34E+06 3.23E+06 7.44E+05 9.65E+05 1.35E+06 2.64E+06 1.44E+06 9.09E+05 3.81E+06 (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_4 1.79E+06 1.82E+06 1.42E+06 1.89E+06 1.63E+06 9.8E+05 2.5E+06 1.8E+06 1.3E+06 1.18E+06 1.16E+06 1.9E+06 1.77E+06 8.62E+05 1.02E+06 9.9E+05 1.68E+06 1.69E+06 1.11E+06 1.54E+06 1.29E+06 1.55E+06 1.29E+06 1.76E+06 1.61E+06 5.7E+05 1.59E+06 1.29E+06 8.76E+05 8.23E+05 1.07E+06 7.36E+05 1.2E+06 1.75E+06 1.44E+06 1.69E+06 1.3E+06 2.02E+06 1.13E+06 7.99E+05 1.38E+06 1.96E+06 1.35E+06 1.25E+06 1.49E+06 1.53E+06 1.56E+06 1.13E+06 1.38E+06 1.36E+06 2.44E+06 (S)-ATPA_1 4.65E+06 3.09E+06 3.38E+06 1.89E+06 2.32E+06 4.75E+06 5.12E+06 1.33E+06 1.87E+06 1.88E+06 4.09E+06 4.73E+06 5.19E+06 2.57E+06 1.96E+06 1.53E+06 3.01E+06 3.46E+06 4.37E+06 2.21E+06 2.39E+06 3.67E+06 5.05E+06 1.82E+06 2.94E+06 3.1E+06 1.95E+06 1.46E+06 4.17E+06 2.37E+06 2.54E+06 4.59E+06 3.76E+06 2.01E+06 1.71E+06 1.38E+06 3.32E+06 1.23E+06 2.57E+06 3.03E+06 3.03E+06 2.17E+06 2.68E+06 1.49E+06 2.41E+06 1.99E+06 3.01E+06 2.75E+06 1.77E+06 1.52E+06 5.66E+06 (S)-ATPA_2 1.85E+05 1.52E+04 7.56E+04 8.84E+04 1.19E+04 1.2E+05 8.53E+04 5.52E+04 7.28E+04 3E+04 3.38E+04 5.28E+04 8.6E+04 2.44E+05 1.63E+05 7.08E+04 6.44E+04 1.38E+05 2.49E+05 7.27E+05 3.65E+04 1.3E+05 1.23E+05 3.72E+04 1.91E+04 7.77E+04 8.97E+04 4.83E+04 5.34E+04 3.11E+05 2.18E+05 4.54E+04 6.2E+04 3.92E+04 3.03E+05 2E+04 1.15E+05 3.84E+04 1.92E+05 1.53E+05 1.49E+05 3.75E+04 3.93E+04 2.05E+04 8.6E+04 6.45E+03 2.83E+04 1.02E+05 5.44E+04 6.77E+04 4.41E+05 1-(1-Oxopropyl)-1H-imidazole_1 1.94E+06 1.23E+06 1.13E+06 2.26E+06 1.17E+06 2.66E+06 1.62E+06 6.77E+05 1E+06 1.95E+06 3.89E+05 1.16E+06 8.68E+05 6E+05 6.44E+05 5.49E+05 1.24E+06 2.14E+06 2.36E+06 1.35E+06 6.17E+06 2.58E+06 7.37E+05 2.32E+06 7.33E+05 1.46E+06 8.96E+05 3.09E+06 9.32E+05 5.97E+05 1.18E+06 8.85E+05 4.71E+05 1.95E+06 2.31E+06 1.35E+06 2.89E+06 2.16E+06 8.22E+05 2.39E+06 4.2E+05 4.09E+06 2.2E+06 4.97E+05 2.81E+06 5.46E+05 6.83E+05 4.59E+05 3.19E+06 1.37E+06 3.32E+06 1-(1-Oxopropyl)-1H-imidazole_2 1.84E+05 1.17E+06 2.74E+05 5.96E+05 1.63E+06 2.6E+06 6.73E+05 7.75E+04 1.15E+06 5.62E+05 2.22E+06 6.21E+05 2.3E+06 2.93E+06 2.63E+05 1.4E+06 1.29E+06 2.15E+05 2.66E+05 2.86E+05 5.22E+05 2.02E+05 2.92E+06 1.32E+06 3.06E+06 6.65E+05 6.28E+05 7.81E+05 3.19E+05 1.13E+06 5.55E+05 1.05E+06 2.76E+05 1.5E+06 1.33E+06 8.02E+05 1.47E+06 2.49E+05 9.91E+05 7.85E+05 3.43E+05 1.19E+06 3.75E+05 4.76E+05 3.59E+05 7.05E+05 1.33E+06 6.91E+05 5.41E+05 1.5E+06 1.16E+06 1,2,3-Trihydroxybenzene 8.01E+07 7.24E+07 5.82E+07 5.75E+07 5.62E+07 7.78E+07 7.87E+07 4.86E+07 5.37E+07 4.84E+07 8.35E+07 5.48E+07 4.42E+07 7.55E+07 8.99E+07 6.56E+07 8.1E+07 4.71E+07 4.13E+07 7.32E+07 4.81E+07 5.71E+07 4.32E+07 6.55E+07 6.57E+07 1.08E+08 6.24E+07 5.77E+07 7.12E+07 5.79E+07 6.59E+07 7.71E+07 5.04E+07 6.12E+07 6.29E+07 6.97E+07 7.57E+07 1.01E+08 8.07E+07 7.06E+07 8.16E+07 8.41E+07 4.56E+07 7.2E+07 4.66E+07 7.53E+07 6.88E+07 5.5E+07 7.33E+07 4.9E+07 6.37E+07 1,2,6-Hexanetriol 6.73E+06 7.34E+06 6.26E+06 7.99E+06 6.47E+06 7.77E+06 6.2E+06 5.64E+06 7.71E+06 7.15E+06 7.73E+06 6.05E+06 6.25E+06 7.6E+06 6.27E+06 7.03E+06 6.48E+06 8.57E+06 6.68E+06 7.21E+06 6.92E+06 6.85E+06 8.49E+06 6.68E+06 8.67E+06 8.15E+06 7.18E+06 6.81E+06 7.3E+06 6.82E+06 7.07E+06 8.88E+06 7.46E+06 5.48E+06 7.08E+06 6.21E+06 7.06E+06 7.45E+06 7.69E+06 7.42E+06 6.28E+06 6.64E+06 5.52E+06 7.72E+06 6.89E+06 7.32E+06 7.25E+06 6.53E+06 7.72E+06 5.99E+06 6.85E+06 1,2-Bis(chloromethoxy)ethane 7.78E+05 5.28E+05 8.56E+05 4.55E+05 5.45E+05 4.9E+05 1.17E+06 4.89E+05 3.52E+05 6.37E+05 8.17E+04 3.65E+05 3.1E+06 1.46E+05 6.16E+05 2.54E+05 5.04E+05 1.24E+06 4.2E+05 3.09E+05 2.14E+05 4.97E+05 4.59E+05 1.27E+06 2.71E+05 3.18E+05 3.02E+05 3.81E+05 1.7E+05 4.83E+05 5.07E+05 5.54E+05 1.14E+06 6.59E+05 6.52E+05 5.59E+05 1E+06 4.75E+05 3.23E+05 4.47E+05 2.59E+05 2.38E+06 2.12E+05 1.04E+05 4.31E+05 2.32E+05 1.88E+05 8.11E+05 2.02E+05 2.9E+05 4E+05 1,3,8-Naphthalenertriol 1.37E+06 1.3E+06 1.24E+06 1.34E+06 1.43E+06 1.32E+06 1.29E+06 1.33E+06 1.4E+06 1.45E+06 1.46E+06 1.24E+06 1.5E+06 1.44E+06 1.53E+06 1.23E+06 1.27E+06 1.56E+06 1.09E+06 1.09E+06 1.2E+06 1.2E+06 1.42E+06 1.27E+06 1.3E+06 1.05E+06 1.34E+06 1.2E+06 1.23E+06 1.15E+06 1.26E+06 1.28E+06 1.18E+06 1.28E+06 1.23E+06 1.08E+06 1.18E+06 1.29E+06 1.28E+06 1.16E+06 1.19E+06 1.19E+06 1.18E+06 1.31E+06 1.08E+06 1.31E+06 1.41E+06 1.21E+06 1.11E+06 1.1E+06 1.34E+06 1,3-Dichloro-2-propanol 4.28E+06 4.23E+06 2.8E+06 4.15E+06 4.36E+06 3.51E+06 3.26E+06 4.17E+06 2.74E+06 3.82E+06 3.58E+06 4.11E+06 3.32E+06 4.87E+06 4.27E+06 2.85E+06 4.49E+06 2.85E+06 3.61E+06 4.79E+06 3.61E+06 3.77E+06 3.11E+06 3.08E+06 4.36E+06 4.43E+06 4.18E+06 3.21E+06 4.23E+06 3.33E+06 3.52E+06 5.17E+06 3.01E+06 4.32E+06 5.1E+06 3.24E+06 3.58E+06 5.22E+06 6.28E+06 4.64E+06 4.65E+06 3.73E+06 3.34E+06 3.26E+06 3.67E+06 4.36E+06 3.52E+06 3.56E+06 4.75E+06 3.76E+06 3.39E+06 1,4'-Bipiperidine-1'-carboxylic acid_1 6.42E+05 6.85E+05 3.31E+05 7.63E+05 3.26E+05 8.65E+05 2.88E+05 7.8E+04 6.02E+05 2.59E+05 1.45E+05 6.02E+05 6.76E+05 1.93E+05 1.73E+04 1.79E+05 3.01E+05 3.55E+04 4.23E+05 4.01E+05 4.19E+05 1.55E+05 1.12E+05 3.18E+05 5.28E+04 6.68E+05 4.17E+05 6E+04 4.34E+05 6.4E+04 3.09E+05 4.17E+04 9.46E+04 8.27E+05 3.69E+05 2.75E+05 4.58E+05 8.53E+04 7.79E+05 4.91E+05 3.95E+04 4.82E+05 2.44E+05 3.98E+04 2.2E+05 5.33E+04 3.53E+05 2.31E+04 2.8E+05 1.27E+05 8.86E+05 1,4'-Bipiperidine-1'-carboxylic acid_2 3.87E+05 4.93E+05 2.25E+05 5.9E+05 2.08E+05 7.32E+05 2.05E+05 9.86E+04 5.2E+05 2.49E+05 1.11E+05 4.32E+05 5.27E+05 2.27E+05 9.66E+04 4.31E+04 2.84E+05 4.04E+04 2.81E+05 3.95E+05 3.56E+05 1.63E+05 1.04E+05 2.6E+05 2.22E+04 5.85E+05 3.77E+05 6.09E+04 4.81E+05 3.78E+04 2.77E+05 4.17E+04 3.84E+04 4.94E+05 3.94E+05 2.75E+05 3.16E+05 1.19E+05 7.54E+05 6.53E+05 1.8E+05 4.15E+05 1.62E+05 8.94E+03 1.11E+05 1.31E+05 2.31E+05 2.59E+04 2.43E+05 2.96E+05 5.39E+05 1,4'-Bipiperidine-1'-carboxylic acid_3 3.02E+06 2.71E+04 1.4E+05 2.72E+05 3.23E+05 2.2E+05 8.78E+04 1.08E+05 7.64E+04 5.28E+04 4.12E+05 1.31E+05 1.54E+05 1.27E+06 7.08E+05 3.57E+05 2.33E+05 2.46E+05 8.46E+04 2.1E+05 3.58E+05 1.07E+06 2.14E+05 4E+05 1.28E+05 2.16E+05 8.5E+04 1.22E+05 2.11E+05 1.64E+06 9.63E+05 6.65E+04 1.54E+05 3.31E+05 2.05E+05 4.64E+04 1.64E+05 2.11E+05 2.79E+05 1.83E+05 4.94E+05 1.88E+05 1.03E+05 1.68E+05 1.18E+06 4.37E+04 1.44E+05 2E+05 2.18E+05 2.15E+05 1.62E+06 10,16-Dihydroxyhexadecanoic acid 9.59E+05 6.58E+05 5.36E+05 9.26E+05 7.64E+05 8.78E+05 6.69E+05 6.55E+05 3.85E+05 5.97E+05 6.32E+05 7.2E+05 7.2E+05 4.9E+05 5.3E+05 5.09E+05 8.21E+05 6.89E+05 5.85E+05 7E+05 6.47E+05 6.27E+05 5.01E+05 5.78E+05 3.75E+05 5.86E+05 6.55E+05 4.27E+05 6.01E+05 4.4E+05 5.14E+05 4.39E+05 4.7E+05 5.82E+05 5.59E+05 5.15E+05 5.95E+05 5.43E+05 4.57E+05 5.83E+05 4.55E+05 7.11E+05 5.84E+05 4.31E+05 4.79E+05 3.4E+05 1.01E+06 4.78E+05 6.58E+05 3.8E+05 8.64E+05 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide 1.2E+06 9.93E+05 4.95E+05 1.85E+05 8.67E+05 1.13E+06 1.06E+06 7.93E+05 6.9E+05 3E+05 1.45E+06 1.08E+06 4.38E+05 1.22E+06 1.68E+06 9.05E+05 9.44E+05 8.11E+05 6.04E+05 1.54E+05 7.93E+05 7.59E+05 5.09E+05 1.03E+06 1.01E+06 1.42E+06 6.72E+05 5.26E+05 1.16E+06 4.94E+05 1.05E+06 1.41E+06 9.41E+05 7.12E+05 5.07E+05 9.72E+05 6.02E+05 1.45E+06 9E+05 1.03E+06 1.59E+06 8.67E+05 6.04E+05 7.95E+05 9.75E+05 4.2E+05 8.45E+05 3.03E+05 3.73E+05 7.03E+05 4.83E+05 11H-Benz[bc]aceanthrylene 9.23E+06 6.97E+06 9.48E+06 8.87E+06 8.43E+06 9.85E+06 1.21E+07 5.28E+06 8.35E+06 7.84E+06 4E+06 7.77E+06 4.89E+06 7.55E+06 9.05E+06 7.48E+06 8.3E+06 7.73E+06 6.65E+06 8.12E+06 6.87E+06 5.9E+06 6.5E+06 6.84E+06 3.55E+06 1.16E+07 7.88E+06 7.43E+06 7.86E+06 7.97E+06 6.51E+06 8.87E+06 6.37E+06 6.81E+06 5.97E+06 8.28E+06 6.74E+06 8.52E+06 8.34E+06 8.77E+06 3.85E+06 7.39E+06 5.87E+06 6.9E+06 5.78E+06 5.34E+06 5.56E+06 5.07E+06 7.08E+06 4.91E+06 1.06E+07 11-Methoxy-vinorine 1.09E+06 1.97E+05 3.56E+04 6.81E+04 1.39E+05 1.57E+05 2.34E+05 1.55E+05 2.14E+05 1.1E+05 2.77E+05 2.1E+05 1.95E+05 1.19E+05 1.65E+05 1.06E+05 1.15E+05 4.85E+04 8.1E+04 5.21E+04 1.77E+04 3.69E+05 5.31E+04 1.47E+05 5.03E+04 5.33E+04 7.67E+04 6.01E+03 9.5E+04 5.06E+03 1.58E+05 1E+04 1.18E+04 1.64E+05 2.56E+04 3.82E+04 1.93E+04 1.18E+05 3.46E+04 6.12E+03 3.33E+04 4.1E+04 4.7E+04 1.94E+04 5.39E+04 4.13E+04 5.5E+06 1.52E+04 8.49E+03 6.38E+04 3.07E+05 14-Dihydroxycornestin 3.36E+06 7.01E+06 4.63E+06 1.09E+07 9.31E+06 9.49E+06 1.23E+07 8.03E+06 1.03E+07 7.7E+06 1.44E+07 7.49E+06 7.61E+06 2.25E+06 1.32E+07 6.39E+06 6.33E+06 8.6E+06 1.14E+07 7.09E+06 1.16E+07 8.81E+06 1.57E+07 2.36E+06 5.05E+06 7.29E+06 8.14E+06 6.06E+06 5.77E+06 7.57E+06 1.09E+07 5.46E+06 2.61E+06 2.84E+06 5.19E+06 4.7E+06 1.03E+07 1.9E+06 6.46E+06 7.78E+06 2.52E+06 1.41E+07 2.41E+06 2.64E+06 2E+06 4.48E+06 1.04E+07 5.56E+06 3.21E+06 3.9E+06 1.31E+07 17beta-Methylestra-1,3,5(10)-trien-3-ol 9.13E+05 1.64E+06 1.43E+06 1.58E+06 1.61E+06 1.45E+06 1.57E+06 1.18E+06 2.66E+06 1.8E+06 2.58E+05 2.22E+06 1.6E+06 1.59E+06 1.86E+06 1.62E+06 2.27E+06 1.21E+06 3.26E+05 1.78E+06 6.94E+05 4.5E+05 1.54E+06 8.74E+05 3.26E+05 1.52E+06 1.72E+06 1.53E+06 1.18E+05 1.44E+06 2.66E+06 7.18E+05 1.08E+06 2.32E+06 2.3E+06 2E+06 7.22E+05 1.77E+06 2.39E+06 4.14E+05 2.13E+06 1.94E+06 9.48E+05 1.39E+06 1.02E+05 1.68E+06 8.86E+05 2.31E+06 8.71E+05 2.14E+06 6.18E+05 1'-Acetoxychavicol acetate 3.86E+04 1.08E+04 1.89E+04 2.29E+04 2.16E+04 1.2E+04 1.93E+04 3.36E+04 4.34E+04 5.79E+03 1.15E+04 2.55E+04 2.7E+04 1.45E+04 1.06E+04 5.46E+03 8.66E+03 2.52E+04 2.02E+04 6.6E+03 4.03E+03 3.36E+04 1.69E+04 6.03E+03 3.56E+04 3.16E+04 1.86E+04 6.59E+03 2.57E+04 1.73E+04 3.46E+04 1.18E+04 1.74E+04 3.97E+04 1.64E+04 1.62E+04 1.21E+04 2E+04 1.75E+04 4.42E+03 3.23E+04 4.23E+03 1.53E+04 2.07E+04 2.54E+04 1.97E+04 9.4E+03 3.33E+04 1.52E+04 1.98E+04 1.31E+04 1'-Acetoxyeugenol acetate 5.34E+05 1.26E+06 1.02E+06 1.74E+06 1.05E+06 9.7E+05 7.31E+05 7.6E+05 2.6E+06 1.31E+06 1.4E+06 1.56E+06 9.79E+05 6.76E+05 1.33E+06 1.15E+06 6.82E+05 1.09E+06 5.67E+05 7.14E+05 6.39E+05 5.33E+05 1.49E+06 4.79E+05 1.03E+06 6.52E+05 6.54E+05 1.1E+06 7.03E+05 9.48E+05 1.05E+06 8.87E+05 6.02E+05 4.4E+05 5.85E+05 5.42E+05 5.93E+05 4.37E+05 7.64E+05 7.72E+05 5.67E+05 6.11E+05 4.72E+05 6.94E+05 4.17E+05 9.22E+05 1.04E+06 1.09E+06 4.42E+05 7.06E+05 8.89E+05 1-Aminocyclopropane-1-carboxylate_1 5.21E+07 4.2E+07 4.23E+07 3.01E+07 2.38E+07 4.38E+07 5.83E+07 3.62E+07 3.02E+07 2.67E+07 4.22E+07 4.02E+07 2.9E+07 3.88E+07 2.84E+07 2.72E+07 2.98E+07 2.05E+07 6.12E+07 3.59E+07 5.74E+07 6.88E+07 2.26E+07 4.46E+07 2.88E+07 2.56E+07 3.96E+07 4.17E+07 3.59E+07 2.9E+07 3.02E+07 1.63E+07 3.22E+07 5.55E+07 3.77E+07 3.54E+07 5.06E+07 5.77E+07 2.35E+07 1.87E+07 2.98E+07 4.7E+07 5.26E+07 2.35E+07 7.46E+07 3.64E+07 3.85E+07 2.01E+07 4.8E+07 4.19E+07 3.93E+07 1-AMINOCYCLOPROPANE-1-CARBOXYLATE 3.29E+07 3.13E+07 2.52E+07 2.73E+07 2.02E+07 2.79E+07 3.04E+07 2.13E+07 2.63E+07 2.03E+07 2.65E+07 2.58E+07 2.35E+07 2.57E+07 2.26E+07 2.35E+07 2.5E+07 1.86E+07 2.89E+07 2.21E+07 3.27E+07 2.91E+07 2.4E+07 2.66E+07 2.49E+07 2.81E+07 2.65E+07 2.62E+07 3.36E+07 2.15E+07 2.59E+07 2.57E+07 2.03E+07 2.76E+07 2.65E+07 2.26E+07 3.13E+07 2.4E+07 2.98E+07 3.5E+07 1.81E+07 2.92E+07 2.4E+07 2.27E+07 3.11E+07 2.09E+07 2.75E+07 1.68E+07 2.92E+07 2.29E+07 4.51E+07 1-Aminocyclopropane-1-carboxylate_2 4.67E+06 4.49E+06 3.75E+06 2.44E+06 2.35E+06 4.3E+06 3.18E+06 7.37E+06 3.37E+06 4.26E+06 9.64E+06 3.57E+06 3.44E+06 7.39E+06 6.03E+06 4.15E+06 3.04E+06 3.15E+06 3.8E+06 2.04E+06 3.92E+06 5.79E+06 4.53E+06 2.57E+06 4.63E+06 2.38E+06 3.54E+06 2.8E+06 2.9E+06 5.31E+06 3.99E+06 5.1E+06 4.52E+06 3.02E+06 3.09E+06 3.64E+06 2.59E+06 5.05E+06 3E+06 2.45E+06 5.67E+06 3.11E+06 4.12E+06 4.32E+06 3.17E+06 5.45E+06 5.06E+06 3.39E+06 3.46E+06 3.77E+06 4.17E+06 1-Dehydro-9-fluoro-11-oxotestololactone 2.03E+06 3.97E+05 1.86E+05 1.73E+05 2.09E+05 5.01E+04 1.68E+05 5.26E+04 3.8E+05 3.52E+05 4.95E+04 2.99E+05 1.54E+05 1.69E+05 2.45E+05 2.01E+05 1.11E+05 2.31E+05 4.86E+04 1.07E+04 1.16E+05 8.12E+05 4.15E+04 2.18E+05 1.59E+03 3.24E+04 1.36E+05 5.71E+04 1.29E+05 5.03E+03 3.91E+05 8.68E+03 3.48E+04 3.6E+05 1.4E+03 1.02E+05 9.76E+04 1.69E+05 2.33E+05 0 3.22E+04 1.12E+05 5.25E+04 1.26E+04 1.21E+05 6.16E+04 5.7E+06 4.72E+04 1.9E+04 1.69E+05 3.04E+05 1-Hydroxy-2-methyl-2-butenyl 4-diphosphate 2.89E+06 3.17E+06 2.48E+06 3.1E+06 2.7E+06 3.02E+06 3.34E+06 1.07E+06 2.82E+06 2.66E+06 2.98E+06 2.86E+06 2.55E+06 2.62E+06 2.48E+06 2.67E+06 3.03E+06 2.29E+06 2.63E+06 2.89E+06 2.25E+06 2.45E+06 2.51E+06 2.7E+06 2.71E+06 3.4E+06 2.8E+06 2.78E+06 2.98E+06 2.18E+06 2.22E+06 3.25E+06 2.25E+06 2.56E+06 2.41E+06 2.76E+06 2.57E+06 3.17E+06 2.87E+06 3.02E+06 2.33E+06 2.83E+06 2.16E+06 2.5E+06 1.99E+06 2.86E+06 3.4E+06 2.39E+06 2.74E+06 2.41E+06 2.75E+06 1-Methyladenosine 5.76E+06 3.58E+06 4.32E+06 3.84E+06 3.16E+06 3.82E+06 3.82E+06 2.06E+06 3.49E+06 3.31E+06 3.86E+06 3.45E+06 3.18E+06 4.4E+06 3.59E+06 3.05E+06 3.15E+06 3.35E+06 3.35E+06 2.84E+06 3.26E+06 3.7E+06 3.47E+06 3.31E+06 3.17E+06 3.04E+06 2.49E+06 2.96E+06 3.49E+06 4.12E+06 3.49E+06 3.56E+06 3.27E+06 2.85E+06 2.45E+06 2.74E+06 2.88E+06 2.76E+06 2.52E+06 3.45E+06 2.59E+06 3.03E+06 2.16E+06 2.83E+06 3.26E+06 2.71E+06 4.56E+06 2.28E+06 2.44E+06 2.31E+06 5.75E+06 1-Octanal_1 1.13E+06 1.12E+06 1.13E+06 1.1E+06 1.23E+06 1.12E+06 1.1E+06 1.27E+06 1.33E+06 1.3E+06 1.17E+06 1.17E+06 1.24E+06 1.26E+06 1.2E+06 1.29E+06 1.24E+06 1.35E+06 1.27E+06 1.21E+06 1.21E+06 1.16E+06 1.27E+06 1.23E+06 1.19E+06 1.19E+06 1.15E+06 1.17E+06 1.16E+06 1.17E+06 1.24E+06 1.19E+06 1.16E+06 1.24E+06 1.33E+06 1.23E+06 1.22E+06 1.2E+06 1.4E+06 1.29E+06 1.25E+06 1.29E+06 1.31E+06 1.28E+06 1.24E+06 1.21E+06 1.1E+06 1.21E+06 1.3E+06 1.22E+06 1.15E+06 1-Octanal_2 7.02E+05 6.3E+05 7.65E+05 5.4E+05 7.28E+05 5.55E+05 7.29E+05 6.11E+05 6.37E+05 7.37E+05 6.07E+05 7.04E+05 7.72E+05 6.33E+05 5.63E+05 7.63E+05 6.39E+05 8.34E+05 7.6E+05 6.16E+05 7.56E+05 5.82E+05 8.57E+05 6.97E+05 6.29E+05 7.57E+05 8.82E+05 6.62E+05 7.29E+05 6.45E+05 6.95E+05 8.71E+05 7.06E+05 7.95E+05 6.74E+05 7.11E+05 6.23E+05 6.95E+05 9.01E+05 7.97E+05 7.73E+05 7.12E+05 7.39E+05 8.22E+05 7.19E+05 7.56E+05 6.72E+05 8.56E+05 7.59E+05 6.82E+05 6.84E+05 1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine 8.35E+06 2.67E+06 2.83E+06 1.97E+06 2.18E+06 2.16E+06 1.36E+06 2.39E+05 3.27E+06 1.74E+06 2.02E+06 2.54E+06 2.54E+05 3.49E+06 1.22E+06 5.3E+06 4.71E+06 2.3E+06 6.73E+05 1.89E+06 3.16E+06 9.49E+06 1.6E+06 7.32E+05 1.49E+06 1.66E+06 2.27E+06 2.49E+06 2.63E+06 3.95E+06 4.91E+06 1.58E+06 1.61E+06 5.13E+06 2.13E+06 4.06E+06 1.67E+06 5.52E+06 7.29E+06 1.08E+06 6.69E+06 1.64E+06 1.91E+06 1.49E+06 2.56E+06 3.17E+06 1.84E+07 2.44E+06 3.12E+06 9.82E+06 2.51E+06 1-Oleoylglycerophosphocholine 1.43E+06 2.98E+04 2.95E+05 9.41E+05 1.21E+04 3.99E+04 9.44E+05 4.92E+04 1.93E+04 1.9E+04 3.01E+05 8.16E+03 1.08E+04 2.47E+04 4.9E+04 1.86E+04 2.13E+04 1.34E+04 2E+04 2.23E+04 6.62E+04 7.35E+04 1.31E+05 3.84E+04 3.81E+05 3.12E+04 4.08E+04 8.9E+03 2.05E+05 1.99E+05 1.07E+05 3.45E+04 4.44E+04 1.57E+05 7.63E+04 9.62E+04 4.85E+04 1.41E+04 1.39E+05 1.09E+05 9.12E+04 1.65E+05 2.06E+04 9.79E+04 4.55E+04 5.08E+04 5.4E+04 4.46E+04 1.51E+05 5.08E+04 7.31E+04 1-Pyrroline-2-carboxylate_1 4.91E+06 4.78E+06 6.87E+06 4.47E+06 5.04E+06 5.2E+06 4.68E+06 4.62E+06 5.08E+06 4.66E+06 4.49E+06 4.94E+06 4.08E+06 6.04E+06 3.76E+06 5.32E+06 5.33E+06 3.09E+06 5.39E+06 3.93E+06 3.53E+06 3.22E+06 3.24E+06 3.27E+06 2.22E+06 4.26E+06 5.71E+06 6.38E+06 4.89E+06 5.29E+06 5.25E+06 2.72E+06 2.93E+06 3.75E+06 4.95E+06 7.52E+06 3.14E+06 3.86E+06 5.66E+06 5.62E+06 3.7E+06 3.06E+06 4.48E+06 6.41E+06 3.36E+06 3.23E+06 3.67E+06 1.75E+06 4.33E+06 6.03E+06 6.18E+06 1-Pyrroline-2-carboxylate_2 1.76E+06 3.9E+06 2.35E+06 7.91E+05 1.22E+06 2.13E+06 2.63E+06 1.88E+06 2.43E+06 1.36E+06 2.15E+06 1.28E+06 1.77E+06 1.74E+06 2.28E+06 1.89E+06 1.65E+06 1.28E+06 1.74E+06 1.86E+06 1.83E+06 1.68E+06 1.46E+06 1.56E+06 1.95E+06 2.34E+06 2.17E+06 1.13E+06 1.95E+06 1.83E+06 1.4E+06 1.73E+06 2.3E+06 1.86E+06 1.56E+06 1.61E+06 2.16E+06 2.09E+06 1.9E+06 1.33E+06 1.75E+06 1.44E+06 2.11E+06 2.22E+06 1.4E+06 1.73E+06 1.77E+06 1.88E+06 7.81E+05 1.68E+06 2.39E+06 1-Pyrroline-2-carboxylate_3 7.94E+05 2E+06 6.53E+05 9.6E+05 1.81E+06 1.79E+06 1.01E+06 6.99E+05 2.47E+06 6.69E+05 1.81E+06 2.2E+06 2.44E+06 1.75E+06 1.36E+06 1.71E+06 2.29E+06 8.58E+05 1.58E+06 2.2E+06 1.46E+06 1.33E+06 8.58E+05 1.09E+06 9.4E+05 1.21E+06 2.57E+06 2.31E+06 9.41E+05 2.1E+06 1.36E+06 8.31E+05 7.45E+05 1.55E+06 2.11E+06 2.83E+06 1.29E+06 1.65E+06 8.46E+05 2.19E+06 6.43E+05 7.95E+05 1.35E+06 2.38E+06 1.51E+06 1.55E+06 1.35E+06 1.07E+06 2.38E+06 2.82E+06 2.03E+06 2-(Biaryl)carbapenems 5.35E+05 3.29E+05 7.42E+05 2.48E+05 6.66E+05 3.68E+05 3.54E+05 6.81E+05 4.15E+05 6.28E+05 9.11E+05 3.57E+05 2.33E+05 3.44E+05 4.57E+05 6.23E+05 4.89E+05 4.34E+05 3.23E+05 1.03E+06 4.51E+05 4.89E+05 3.95E+05 3.15E+05 5.57E+05 4.3E+05 5.28E+05 2.95E+05 4.27E+05 2.88E+05 3.67E+05 3.78E+05 3.97E+05 5.76E+05 4.65E+05 6.1E+05 3.87E+05 4.12E+05 3.98E+05 3.45E+05 3.06E+05 3.05E+05 2.73E+05 2.96E+05 3.61E+05 7.09E+05 7.9E+05 5.29E+05 3.69E+05 3.51E+05 2.86E+05 2-(Methylthio)ethanesulfonate 2.16E+04 1.77E+04 1.09E+04 1.18E+05 1.27E+04 2.93E+04 4.84E+04 1.83E+04 4.4E+04 6.19E+04 1.58E+05 7.03E+04 5.24E+04 1.31E+04 4.28E+04 1.03E+04 4.31E+04 8.36E+03 2.33E+04 7.37E+03 1.43E+04 2.53E+04 5.55E+04 9.9E+03 8.25E+04 1.95E+04 8.03E+03 4.14E+04 2.88E+04 5.59E+04 4.89E+04 4.83E+04 1.01E+04 9.81E+04 8.82E+03 2.44E+04 1.97E+04 2.72E+04 6.66E+04 1.66E+04 1.51E+04 8.04E+04 4.49E+04 3.14E+04 8.32E+04 1.37E+04 7.21E+04 9.15E+03 6.4E+04 1.26E+04 6.03E+04 2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate 4.67E+03 1.89E+03 3.2E+03 2.39E+03 2.74E+03 2.27E+03 1.86E+03 1.72E+03 1.84E+03 2.7E+03 2.21E+03 2.15E+03 2.69E+03 4.21E+03 2.82E+03 2.24E+03 2.51E+03 0 1.9E+03 1.24E+03 3.87E+03 2.47E+03 1.89E+03 2.99E+03 2.4E+03 2.47E+03 1.68E+03 2.46E+03 1.93E+03 1.56E+03 2.46E+03 1.9E+03 2.19E+03 1.74E+03 1.63E+03 1.32E+03 2.16E+03 1.86E+03 1.86E+03 1.48E+03 2.29E+03 2.49E+03 2.18E+03 2.63E+03 2.26E+03 2.56E+03 3.12E+03 0 4.7E+03 2.3E+03 5.13E+03 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid 6.31E+05 1.16E+06 2.21E+06 2.44E+05 1.33E+06 2.31E+05 1.47E+06 1.14E+05 9.6E+05 5.62E+05 1.22E+05 1.93E+06 5.38E+05 9.44E+05 1.6E+06 2.28E+06 9.46E+05 6.61E+05 5.07E+05 1.05E+06 3.79E+05 9.73E+04 3.81E+05 5.37E+05 1.78E+04 3.7E+06 3.01E+04 5.22E+05 3.92E+05 2.97E+06 4.65E+04 2.73E+05 1E+06 2.51E+05 1.57E+05 6.18E+05 5.85E+05 2.2E+06 3.16E+06 1.33E+06 1.15E+06 2.19E+05 1.07E+06 4.81E+05 3.98E+04 1.85E+06 4.18E+05 7.67E+05 1.41E+06 1.28E+06 6.28E+05 2,3-Dihydroxybenzoate 2.83E+05 0 9.13E+05 0 3.54E+05 0 1.92E+03 2.1E+05 1.33E+05 5.91E+05 9.07E+05 0 2.03E+03 7.49E+04 1.4E+05 1.04E+06 6.52E+05 7.42E+04 2.87E+05 4.17E+05 5.6E+05 1.07E+05 3.62E+05 0 2.81E+05 2.09E+05 2.82E+05 1.75E+03 4.89E+05 0 8.3E+03 0 6.23E+05 6.07E+05 2.85E+05 1.76E+05 3.9E+05 6.28E+05 6.72E+05 9.48E+04 3.73E+05 8.21E+04 7.31E+05 0 5.94E+03 7.77E+05 1.07E+06 4.89E+05 3.03E+05 2.77E+05 2.66E+03 2,3-Dimethylmaleate_1 5.36E+07 5.7E+07 4.69E+07 4.39E+07 4.36E+07 5.94E+07 6.33E+07 3.78E+07 4.23E+07 3.82E+07 5.49E+07 4.2E+07 3.5E+07 5.52E+07 6.5E+07 4.65E+07 5.23E+07 3.79E+07 3.28E+07 5.49E+07 3.53E+07 4.24E+07 3.38E+07 4.92E+07 5.04E+07 8.44E+07 5.08E+07 4.59E+07 5.5E+07 4.54E+07 5.32E+07 5.85E+07 3.75E+07 4.57E+07 4.84E+07 5.27E+07 5.04E+07 6.79E+07 6.21E+07 5.39E+07 4.25E+07 6.03E+07 3.62E+07 5.12E+07 3.75E+07 5.48E+07 5.28E+07 3.9E+07 4.94E+07 3.86E+07 4.92E+07 2,3-Dimethylmaleate_2 2.32E+06 3.63E+05 3.22E+05 5.71E+05 1.43E+06 1.9E+06 7.28E+05 4.1E+05 8.27E+05 4.47E+05 2.43E+06 6.76E+05 8.22E+05 2.13E+05 1.04E+06 5.91E+05 6.79E+05 4.94E+05 7.72E+05 1.87E+05 1.85E+06 4.27E+05 1.45E+06 6.78E+05 5.93E+05 1.46E+06 1.65E+06 2.65E+05 1.13E+06 1.32E+06 4.18E+05 8.37E+05 1.68E+06 4.53E+05 4.89E+04 2.57E+06 1.93E+06 4.91E+05 1.7E+05 2.61E+06 3.36E+05 2.1E+06 4.39E+05 1.65E+06 4.24E+05 1.54E+06 2.27E+06 6.85E+05 6.58E+04 5.54E+05 2.13E+06 2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose 5.65E+05 3.94E+05 5.93E+05 3.55E+05 4.32E+05 5.97E+05 5.69E+05 5.83E+04 5.48E+05 3.17E+05 2.4E+05 5.76E+05 3.12E+05 4.15E+05 4.35E+05 3.98E+05 4.56E+05 6.29E+05 3.95E+05 5.25E+05 2.62E+05 2.89E+05 6.08E+05 2.16E+05 3.95E+05 4.2E+05 4.85E+05 3.49E+05 2.12E+05 2.56E+05 3.49E+05 3.64E+05 4.97E+05 2.48E+05 3.15E+05 3.67E+05 2.92E+05 2.13E+05 3.89E+05 4.33E+05 3.23E+05 2.88E+05 2.9E+05 5.18E+05 1.59E+05 3.2E+05 4.38E+05 4.37E+05 4.02E+05 2.57E+05 6.32E+05 2,5-Dichloro-4-oxohex-2-enedioate 2.58E+08 2.75E+08 2.72E+08 2.65E+08 2.75E+08 2.72E+08 2.68E+08 2.91E+08 2.8E+08 2.67E+08 2.69E+08 2.66E+08 2.74E+08 2.69E+08 2.71E+08 2.65E+08 2.59E+08 2.66E+08 2.65E+08 2.66E+08 2.65E+08 2.56E+08 2.59E+08 2.64E+08 2.67E+08 2.59E+08 2.58E+08 2.59E+08 2.52E+08 2.52E+08 2.61E+08 2.57E+08 2.45E+08 2.49E+08 2.47E+08 2.53E+08 2.4E+08 2.52E+08 2.57E+08 2.46E+08 2.45E+08 2.52E+08 2.61E+08 2.55E+08 2.51E+08 2.55E+08 2.59E+08 2.48E+08 2.58E+08 2.62E+08 2.59E+08 2,5-Dioxopentanoate 3.67E+05 3.43E+05 7.58E+05 2.34E+05 2.07E+05 6.31E+05 5.51E+05 2.89E+05 4.73E+05 4.25E+05 1.01E+06 2.38E+05 1.08E+06 9.7E+05 3.49E+05 7.73E+05 3.63E+05 1.32E+05 3.18E+05 3.07E+05 3.78E+05 2.14E+05 4.72E+05 4.87E+05 3.01E+05 3.55E+05 2.59E+05 1.83E+05 3.1E+05 7E+05 4.48E+05 2.29E+05 3.08E+05 4.26E+05 3.78E+05 2.76E+05 4.35E+05 2.94E+05 2.82E+05 3.06E+05 3.61E+05 3.01E+05 4.03E+05 2.72E+05 1.41E+05 3.1E+05 5.06E+05 2.24E+05 1.5E+05 6.56E+05 4.03E+05 2,5-Furandicarboxylate 1.21E+04 2.39E+03 1.93E+04 4.93E+03 6.97E+03 1.1E+04 2.14E+04 0 6.15E+03 1.9E+04 1.91E+04 3.38E+03 9.71E+03 7.42E+03 1.22E+03 4.5E+04 1.78E+04 6.9E+03 5.75E+03 8.04E+03 3.24E+03 2.13E+04 2.62E+04 1.49E+04 1.56E+04 1.61E+04 8.05E+03 1.98E+03 1.04E+04 8.66E+04 4.54E+03 9.81E+03 1.33E+04 974 1.72E+04 1.03E+04 2.44E+04 1.21E+04 1.67E+04 3.2E+03 1.17E+04 1.15E+04 7.74E+03 4.55E+03 1.15E+04 2.89E+04 6.69E+04 1.48E+04 1.43E+04 5.28E+03 1.55E+04 2,6-Diamino-7-hydroxy-azelaic acid 1.39E+06 1.85E+03 0 1.59E+03 0 0 0 965 1.89E+03 1.85E+03 1.74E+03 2.7E+03 1.84E+03 8.89E+05 2.21E+05 1.67E+03 2.42E+03 0 2.28E+03 2.33E+03 950 6.33E+05 2.32E+03 7.54E+04 1.93E+03 2.08E+03 1.9E+03 2.38E+03 1.95E+03 1.15E+06 7.23E+05 2.15E+03 0 0 6.92E+04 1.93E+03 1.8E+03 6.04E+03 1.43E+03 1.86E+03 1.08E+05 1.68E+03 0 1.21E+04 7.43E+05 1.92E+03 1.66E+03 0 0 2.48E+03 1.68E+06 21,22-Diprenylpaxilline_1 3.62E+06 5.08E+05 8.23E+04 3.79E+05 3.36E+05 1.91E+05 2.78E+05 6.95E+04 2.9E+05 3.07E+05 7.3E+05 6.77E+05 1.56E+04 5.18E+05 1.23E+05 4.67E+05 7.49E+05 1.88E+05 3.11E+05 1.73E+05 8.4E+05 2.68E+06 2.19E+05 2.37E+05 5.38E+05 2.37E+05 2.72E+05 2.75E+05 3.29E+05 6.75E+05 5.58E+05 5.52E+05 1.13E+05 6.41E+05 2.98E+05 4.42E+05 5.6E+05 1.17E+06 1.39E+06 3.38E+05 1.47E+06 2.56E+05 4.13E+05 1.48E+05 3.75E+05 9.59E+05 8.99E+06 7.18E+05 5.87E+05 1.31E+06 7.05E+05 21,22-Diprenylpaxilline_2 7.55E+05 6E+04 1.93E+04 6.58E+05 4.19E+04 2.72E+04 4.87E+05 6.95E+04 1.58E+04 3.83E+04 3.43E+05 1.4E+04 2.44E+04 3.5E+04 5E+04 2.02E+04 4.8E+04 3.77E+04 9.46E+04 5.29E+04 1.52E+04 6.98E+04 4.26E+04 4.65E+04 2.05E+05 1.08E+05 1.99E+05 6.29E+04 2.67E+05 7.09E+04 9.91E+04 5.38E+04 6.37E+04 1.44E+05 6.83E+04 6.41E+04 1.38E+05 6.54E+04 2.92E+03 1.51E+05 1.22E+05 1.64E+05 8.9E+04 4.2E+04 1.06E+05 1.21E+05 1.53E+04 1.27E+05 1.09E+05 9.51E+04 7.05E+05 2-Aceto-2-hydroxybutanoate 6.86E+06 6.32E+06 9.49E+05 5.15E+06 4.75E+06 7.47E+06 6.37E+06 3.7E+06 3.97E+06 4.16E+06 5.55E+06 4.44E+06 3.66E+06 6.41E+06 6.14E+06 3.87E+06 5.62E+06 4.66E+05 4.61E+06 7.54E+06 3.56E+06 5.57E+06 3.12E+06 9.2E+05 6.29E+06 4.2E+06 5.12E+06 5.51E+06 5.74E+06 5.17E+06 6.32E+06 6.64E+06 2.67E+06 5.28E+06 6.12E+06 6.46E+06 4.7E+06 8.16E+06 6.41E+06 7.55E+06 5.74E+06 2.84E+06 6.11E+05 4.86E+06 8.71E+05 6.98E+06 7.27E+06 4.17E+06 4.87E+06 4.44E+06 5.88E+06 2-Amino-1,2-bis(p-chlorophenyl)ethanol 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2.15E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2-Amino-9,10-epoxy-8-oxodecanoic acid_1 1.27E+04 1.16E+04 3.41E+03 4.87E+03 3.28E+03 9.48E+03 2.92E+03 1.07E+04 4.5E+03 6.57E+03 7.2E+03 1.04E+04 3.75E+04 2.88E+03 6.93E+03 4.48E+03 7.21E+03 3.17E+04 5.11E+03 6.09E+03 5.3E+03 1.37E+03 4.76E+03 3.37E+03 1.08E+04 2.95E+03 2.02E+03 3.95E+03 5.39E+03 2.72E+03 3E+03 2.45E+03 2.11E+03 1.11E+04 4.52E+03 4.77E+03 1.37E+04 4.46E+03 8.12E+03 7.72E+03 2.24E+03 1.14E+04 2.71E+03 1.87E+04 9.46E+03 2.68E+03 8.46E+03 4.11E+03 3.64E+03 2.94E+03 3.71E+03 2-Amino-9,10-epoxy-8-oxodecanoic acid_2 5.49E+03 5.11E+03 3.41E+03 1.02E+04 2.53E+03 5.05E+03 1.43E+03 2.57E+03 4.5E+03 3.01E+03 2.33E+03 2.83E+03 3.75E+04 2.41E+03 2.63E+03 2.74E+03 2.47E+03 2.31E+03 5.59E+03 1.2E+03 1.05E+04 2.73E+03 2.78E+03 4.73E+03 2.73E+03 4.09E+03 7.48E+03 3.95E+03 2.54E+03 2.72E+03 5.25E+03 1.78E+03 3.86E+03 8.01E+03 4.52E+03 2.9E+03 1.37E+04 2.27E+03 2.35E+03 4.28E+03 2.34E+03 1.14E+04 2.31E+03 2.09E+03 2.38E+03 4.03E+03 3.18E+03 2.11E+03 5.43E+03 2.94E+03 1.42E+03 2-Aminomuconate 1.25E+06 1.38E+06 1.38E+06 9.65E+05 2.2E+06 1.08E+06 9.6E+05 2.2E+06 1.69E+06 7.12E+05 2.12E+06 1.1E+06 1.77E+06 8.79E+05 8.55E+05 1.36E+06 2.83E+06 1.7E+06 1.61E+06 1.33E+06 1.62E+06 1.84E+06 1.59E+06 1.47E+06 5.47E+06 8.09E+05 1.45E+06 1.11E+06 6.44E+05 1.06E+06 9.64E+05 1.6E+06 1.43E+06 9.34E+05 1.24E+06 1.52E+06 1.5E+06 9.36E+05 7.74E+05 5.89E+05 1.14E+06 1.2E+06 8.85E+05 8.59E+05 2.21E+06 2.66E+06 1.97E+06 1.16E+06 1.4E+06 1.06E+06 1.71E+06 2-Aminomuconate semialdehyde 2.72E+05 6.17E+05 5.36E+05 7.72E+05 2.96E+05 8.41E+05 1E+05 2.5E+05 6.46E+05 7.13E+05 7.6E+05 4.7E+05 1.73E+06 7.38E+05 3.95E+05 4.54E+05 2.76E+05 2.96E+05 3.83E+05 2.82E+05 5.76E+05 2.81E+05 1.19E+06 1.7E+05 2.84E+05 6.36E+05 2.81E+05 1.06E+04 1.18E+06 1.94E+05 5.24E+05 3.31E+05 2.54E+05 3.4E+05 3.65E+05 1.72E+05 5.19E+05 1.66E+05 7.29E+05 1.25E+06 1.83E+05 5.3E+05 3.76E+04 2E+05 2.03E+05 3.61E+05 1.28E+06 1.07E+05 3.97E+05 3.17E+05 6.91E+05 2-Aminophenol_1 1.76E+06 1.32E+06 2.42E+06 1.1E+06 1.03E+06 1.73E+06 1.62E+06 1.72E+06 1.49E+06 1.3E+06 1.63E+06 1.31E+06 1.6E+06 2.7E+06 3.96E+06 2.39E+06 9.79E+05 4.76E+05 1.65E+06 1.47E+06 1.58E+06 1.02E+06 1.92E+06 1.47E+06 3.93E+05 1.67E+06 1.47E+06 1.21E+06 2.08E+06 2.76E+06 2.08E+06 8.94E+05 2.74E+06 1.73E+06 1.47E+06 1.45E+06 1.58E+06 1.27E+06 1.29E+06 2.03E+06 3.13E+06 1.57E+06 1.93E+06 2.84E+06 8.78E+05 1.49E+06 1.3E+06 6.98E+05 1.21E+06 1.95E+06 1.83E+06 2-Aminophenol_2 1.42E+06 4.37E+05 5.76E+05 3.08E+05 3.95E+05 1.52E+06 1.4E+06 3.87E+05 1.59E+05 6.42E+04 1.96E+06 4.77E+05 1.24E+06 2.78E+06 5.71E+05 1.84E+04 2.39E+05 2.73E+05 3.19E+05 9.96E+04 4.49E+05 1.18E+06 5.41E+05 8.01E+06 7.76E+05 7.02E+05 1.45E+05 2.87E+05 4.33E+05 1.91E+06 2.05E+06 8.05E+05 2.64E+05 1.14E+06 1.08E+06 3.38E+05 4.27E+06 3.98E+05 5.59E+05 8.3E+05 1.41E+06 3.8E+05 4.42E+05 7.03E+05 1.32E+06 1.39E+05 9.54E+05 2.38E+05 4.08E+05 5.15E+06 1.95E+06 2'-Dehydrokanamycin A 0 0 0 960 0 1.05E+03 1.04E+03 0 0 1.48E+03 0 0 0 0 1.07E+03 1.03E+03 1.02E+03 1.12E+03 1.44E+03 4.92E+03 0 0 1.17E+03 1.41E+03 6.13E+03 1.15E+03 1.25E+03 0 0 0 0 1.32E+03 0 1.05E+04 1.58E+03 0 0 0 0 0 0 0 0 0 0 1.39E+03 0 1.28E+03 2.38E+03 1.04E+03 0 2'-DEOXYGUANOSINE 2.89E+07 8.86E+05 4.9E+06 1.58E+06 2.19E+06 1.11E+06 9.43E+05 1.98E+06 1.55E+06 4.48E+06 6.93E+06 8.8E+05 4.59E+05 1.48E+07 1.18E+07 9.04E+06 1.29E+07 8.07E+05 1.01E+06 4.84E+06 6.84E+06 1.1E+07 1.93E+06 2.46E+06 2.39E+06 2.45E+06 4.37E+06 6.53E+05 2.2E+06 2.07E+07 1.45E+07 1.7E+06 3.24E+06 2.79E+06 1.17E+07 1.49E+06 3.43E+06 1.17E+07 1.86E+06 1.2E+06 2.03E+07 8.49E+06 2.16E+06 2.94E+06 7.71E+06 4.52E+06 4.97E+06 5.89E+06 2.22E+06 3.7E+06 1.16E+07 2-Ethylhexyl phthalate_1 5.26E+06 5.24E+06 4.59E+06 5.1E+06 5.12E+06 5.38E+06 4.09E+06 5.44E+06 5.53E+06 5.38E+06 5.07E+06 5.33E+06 5.39E+06 5.77E+06 5.51E+06 5.52E+06 5.7E+06 5.6E+06 5.28E+06 5.79E+06 5.61E+06 5.54E+06 5.49E+06 5.51E+06 5.2E+06 5.13E+06 5.11E+06 4.91E+06 5.36E+06 4.52E+06 5.49E+06 5.15E+06 5.18E+06 5.25E+06 5.06E+06 5.38E+06 5.22E+06 5.31E+06 5.17E+06 5.2E+06 5.41E+06 4.9E+06 5.13E+06 5.17E+06 5.07E+06 5.39E+06 6.43E+06 4.95E+06 5.35E+06 5.4E+06 5.37E+06 2-Ethylhexyl phthalate_2 5.99E+05 7.13E+05 7.59E+05 7.38E+05 7.63E+05 7.35E+05 6.62E+05 8.53E+05 6.97E+05 7.44E+05 6.89E+05 7.19E+05 7.89E+05 6.86E+05 8.42E+05 6.62E+05 6.28E+05 7.26E+05 7.2E+05 7.25E+05 6.67E+05 5.13E+05 6.99E+05 7.02E+05 6.66E+05 7.24E+05 7.4E+05 6.64E+05 6.29E+05 6.39E+05 5.87E+05 6.02E+05 7.38E+05 6.06E+05 6.26E+05 6.87E+05 6.69E+05 5.76E+05 7.34E+05 7.57E+05 5.4E+05 6.96E+05 6.9E+05 6.82E+05 6.64E+05 6.19E+05 5.21E+05 6.89E+05 6.64E+05 5.19E+05 7.2E+05 2-Ethylhexyl phthalate_3 1.86E+05 1.27E+04 1.34E+05 1.48E+04 1.9E+05 1.6E+05 3.31E+04 3.86E+05 3.45E+05 2.57E+05 7.6E+04 2.03E+05 1.42E+05 4.13E+05 2.5E+05 1.51E+05 3.33E+05 5.74E+05 2.19E+05 3.51E+05 9.92E+04 4.14E+05 7.56E+05 4.15E+04 2.84E+05 2.84E+05 5.22E+05 4.39E+05 2.15E+05 2.18E+05 3.86E+05 1.04E+05 1.54E+05 8.01E+04 4.76E+04 1.84E+05 4.35E+05 2.62E+05 2.25E+05 2.15E+05 3.41E+05 2.49E+05 4.04E+05 2.12E+05 4.48E+05 2.68E+05 3.96E+05 5.56E+05 2.23E+05 2.85E+05 7.5E+05 2-Furoate_1 2.97E+06 3.05E+06 1.65E+06 2E+06 7.02E+05 1.16E+06 3.38E+06 1.31E+06 2.55E+06 7.11E+05 7.13E+05 8.43E+05 1.19E+06 3.14E+06 9.62E+05 2.24E+06 8.08E+05 7.36E+05 7.37E+05 4.5E+06 2.44E+06 3.37E+06 1.43E+06 2.9E+06 2.5E+06 4.44E+06 8.55E+05 3.11E+06 1.03E+06 3.41E+06 2.23E+06 1.61E+06 1.61E+06 8.72E+05 1.59E+06 4.45E+06 2.99E+06 5.25E+06 1.93E+06 1.57E+06 1.25E+06 3.68E+06 3.12E+06 9.06E+05 2.65E+06 3.09E+06 1.39E+06 2.39E+06 2.79E+06 7.8E+05 2.41E+06 2-Furoate_2 4.51E+06 1.32E+06 1.18E+06 1.06E+06 1.98E+06 7.47E+05 2.52E+05 1.27E+06 8.41E+05 6.01E+04 1.98E+06 1.04E+06 8.68E+05 5.97E+06 5.81E+06 1.5E+05 5.6E+05 1.7E+05 4.23E+05 6.82E+05 2.37E+06 5E+06 1.25E+06 1.99E+06 8.56E+05 6.8E+05 1.3E+05 7.24E+05 5.91E+05 7.99E+06 1.08E+07 6.37E+05 5.49E+05 2.49E+05 1.09E+06 5.6E+05 9.18E+04 1.51E+06 1.63E+06 6.44E+05 3.5E+06 1.48E+06 1.49E+06 2.13E+06 3.63E+06 1.26E+05 1.14E+06 3.52E+05 4.02E+05 1.87E+06 9.24E+06 2-Hydroxy-1,4-benzoquinone 2.61E+06 3.09E+06 1.97E+06 9.05E+05 3.68E+06 1.2E+06 2.61E+06 3.97E+06 3.34E+06 2E+06 3.59E+06 1.06E+06 2.23E+06 1.02E+06 3.19E+06 2.27E+06 4.36E+06 2.34E+06 2.1E+06 3.22E+06 2E+06 2.23E+06 2.23E+06 3.17E+06 6.04E+06 7.43E+05 3.16E+06 1.14E+06 7.6E+05 1.1E+06 1.12E+06 2.33E+06 2.19E+06 2.88E+06 2.73E+06 3.46E+06 3.42E+06 1.22E+06 9.06E+05 6.44E+05 1.15E+06 3.22E+06 9.78E+05 1.06E+06 3.5E+06 4.39E+06 2.15E+06 2.88E+06 3.06E+06 1.12E+06 1.09E+06 2-Hydroxy-2,4-pentadienoate_1 3.74E+06 1.97E+07 1.34E+07 1.59E+07 1.55E+07 1.26E+07 2.29E+07 1.46E+07 1.66E+07 1.62E+07 1.66E+07 1.16E+07 2.3E+07 4.75E+07 5.18E+07 1.64E+07 1.59E+07 1.55E+07 1.95E+07 1.51E+07 1.1E+07 3.15E+06 1.08E+07 1.81E+07 1.23E+07 1.86E+07 1.56E+07 1.2E+07 1.99E+07 3.39E+06 3.84E+07 1.51E+07 1.73E+07 2.16E+07 3.04E+07 1.4E+07 1.42E+07 2.35E+07 2.43E+07 1.3E+07 3.41E+07 3.04E+07 1.21E+07 1.45E+07 2.82E+06 1.37E+07 2.34E+07 1.01E+07 1.27E+07 1.32E+07 3.32E+07 2-Hydroxy-2,4-pentadienoate_2 2.42E+05 4.62E+05 4.44E+05 2.61E+05 5.31E+05 4.58E+05 5.93E+05 3.85E+05 8.31E+05 5.72E+05 8.52E+05 5.58E+05 2.53E+05 7.84E+05 4.35E+05 3.67E+05 2.98E+05 4.9E+05 3.01E+05 1.05E+06 1.24E+05 5.31E+05 3.94E+05 1.3E+05 6.73E+05 2.8E+05 5.9E+05 2.84E+05 2.81E+05 9.37E+05 4.82E+05 1.19E+05 3.98E+05 2.59E+05 1.35E+06 6.2E+05 1.58E+05 1.08E+06 5.91E+05 4.42E+05 6.38E+05 6.09E+05 9.48E+04 1.39E+06 7.26E+05 3.69E+05 5.2E+05 9.88E+05 5.44E+05 3E+05 5.06E+05 2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine 1.84E+06 5.21E+05 2.47E+06 8.12E+05 5.26E+05 3.16E+06 4.34E+05 7.64E+05 1.03E+06 1.03E+06 6.52E+03 1.79E+05 3.76E+06 7.63E+05 1.25E+06 9.81E+05 9.13E+05 6.79E+05 5.38E+05 7.37E+05 2.97E+05 1.51E+06 4.11E+06 5.97E+05 1.13E+04 5.41E+05 5.12E+05 1.59E+06 4.76E+05 5.97E+05 7.38E+05 4.11E+05 6.33E+05 1.04E+06 6.88E+05 1.56E+06 6.55E+05 6.76E+05 8.3E+05 2.06E+05 4.74E+05 8.12E+05 3.19E+05 1.35E+06 5.95E+05 8.13E+05 1.36E+05 1.54E+05 4.53E+05 4.28E+05 3.18E+05 2-Hydroxycyclohexan-1-one_1 3.54E+06 2.1E+06 2.42E+06 2.12E+06 2.07E+06 2.29E+06 2.35E+06 2.11E+06 1.98E+06 2.14E+06 2.32E+06 2.8E+06 2.88E+06 2.96E+06 2.51E+06 2.22E+06 2.32E+06 2.64E+06 2.33E+06 2.23E+06 2.55E+06 3.11E+06 2.39E+06 3.82E+06 2.62E+06 2.13E+06 2.19E+06 2.07E+06 3.31E+06 2.99E+06 2.81E+06 3.37E+06 2.3E+06 2.27E+06 2.79E+06 2.3E+06 3.28E+06 2.33E+06 2.17E+06 2.4E+06 2.93E+06 2.23E+06 2.15E+06 2.1E+06 3.52E+06 3.01E+06 2.63E+06 2.42E+06 2.12E+06 2.16E+06 3.14E+06 2-Hydroxycyclohexan-1-one_2 5.71E+05 4.39E+05 5.26E+05 3.66E+05 3.85E+05 5.71E+05 5.3E+05 4.49E+05 4.95E+05 5.26E+05 4.14E+05 3.94E+05 8.75E+05 4.57E+05 5.45E+05 6.57E+05 3.43E+05 6.38E+05 6.41E+05 3.35E+05 4.48E+05 5.63E+05 6.41E+05 5.95E+05 3.88E+05 4.73E+05 4.55E+05 4.63E+05 5.13E+05 4.33E+05 5.78E+05 6.29E+05 4.52E+05 4.78E+05 5.45E+05 3.98E+05 5.01E+05 5.95E+05 4.81E+05 5.11E+05 3.66E+05 5.43E+05 2.92E+05 3.98E+05 6.72E+05 6.06E+05 5.43E+05 5.16E+05 4.95E+05 5.45E+05 6.34E+05 2-Hydroxycyclohexan-1-one_3 3.51E+05 2.93E+05 4.72E+05 2.26E+05 5.87E+05 4.88E+05 3.99E+05 5.7E+05 4.77E+05 4.25E+05 4.78E+05 2.58E+05 4.27E+05 3.65E+05 4.11E+05 4.74E+05 4.35E+05 3.58E+05 3.44E+05 5.66E+05 2.31E+05 3.72E+05 3.18E+05 2.44E+05 4.33E+05 4.78E+05 3.47E+05 2.79E+05 4.35E+05 2.92E+05 2.46E+05 4.84E+05 5.57E+05 2.93E+05 4.99E+05 5.09E+05 3.75E+05 4.53E+05 4.05E+05 3.79E+05 3.96E+05 3.67E+05 3.97E+05 4.03E+05 4.09E+05 4.28E+05 7.64E+05 4.55E+05 2.83E+05 4.75E+05 2.51E+05 2-Hydroxymethylclavam_1 3.98E+07 4.36E+07 3.62E+07 3.56E+07 3.47E+07 4.34E+07 4.85E+07 2.33E+07 3.16E+07 2.81E+07 3.96E+07 3.41E+07 2.66E+07 3.81E+07 4.01E+07 3E+07 3.4E+07 2.68E+07 2.63E+07 3.62E+07 2.64E+07 3.1E+07 2.66E+07 3.48E+07 3.37E+07 5.09E+07 3.87E+07 3.19E+07 3.71E+07 3.37E+07 3.72E+07 3.63E+07 2.9E+07 3.33E+07 3.33E+07 3.89E+07 3.41E+07 4.32E+07 4.2E+07 3.83E+07 2.42E+07 3.99E+07 2.67E+07 3.26E+07 3.17E+07 3.38E+07 4.28E+07 2.67E+07 3.51E+07 2.76E+07 4.09E+07 2-Hydroxymethylclavam_2 1.05E+07 1.02E+07 9.12E+06 7.06E+06 6.61E+06 6.96E+06 8.09E+06 8.12E+06 7.4E+06 3.67E+06 5.16E+06 8.06E+06 6.42E+06 6.38E+06 3.59E+06 4.7E+06 9.65E+06 3.68E+06 9.84E+06 9.45E+06 8.81E+06 1.05E+07 3.24E+06 9.27E+06 4.39E+06 5.56E+06 7.08E+06 9.04E+06 5E+06 4.95E+06 7.24E+06 2.09E+06 3.68E+06 8.16E+06 6.22E+06 1.5E+07 8.48E+06 8.56E+06 6.68E+06 4.76E+06 4.28E+06 8.36E+06 8.81E+06 3.24E+06 9.25E+06 5.93E+06 6.03E+06 2.14E+06 8.2E+06 1.01E+07 1.54E+07 2-Hydroxypyridine 6.18E+04 1.75E+05 7.1E+05 1.11E+05 4.08E+05 2.17E+06 5.31E+05 8.13E+04 3.82E+04 4.51E+04 1.56E+06 7.7E+04 3.84E+06 7.63E+06 3.71E+04 8.59E+03 6.6E+05 3.93E+03 3.43E+05 6.44E+04 7.07E+04 2.1E+04 1.01E+06 1.3E+06 3.16E+06 7.69E+04 2.15E+04 8.44E+04 5.6E+04 1.73E+05 1.53E+05 2.93E+05 1.81E+04 9.38E+05 6.16E+05 1.13E+05 2.45E+06 2.51E+04 2.01E+05 1.98E+05 1.16E+05 1.19E+04 1.67E+04 1.96E+05 6.29E+03 2.22E+04 6.47E+05 2.87E+05 1.34E+04 4.87E+06 2.51E+05 2-Naphthylamine_1 1.43E+07 1.01E+07 1.36E+07 1.22E+07 1.37E+07 1.06E+07 1.09E+07 9.43E+06 1.02E+07 1.28E+07 9.57E+06 1.34E+07 6.82E+06 1.35E+07 1.17E+07 8.47E+06 1.32E+07 2.67E+07 1E+07 1.08E+07 1.22E+07 1.01E+07 2.27E+07 1.06E+07 1.78E+07 1.19E+07 1.14E+07 1.09E+07 1.24E+07 1.03E+07 1.21E+07 2.32E+07 2.14E+07 1.26E+07 1.15E+07 1.29E+07 1.35E+07 1.1E+07 1.35E+07 1.86E+07 1.61E+07 1.11E+07 9.63E+06 1.48E+07 9.35E+06 1.08E+07 1.64E+07 3.1E+07 1.2E+07 1.06E+07 1.24E+07 2-Naphthylamine_2 1.4E+06 1.49E+06 1.64E+06 1.45E+06 8.93E+05 1.09E+06 1.41E+06 6.25E+05 1.08E+06 1.07E+06 1.12E+06 1.84E+06 7.07E+05 1.17E+06 1.12E+06 9.27E+05 1.07E+06 1.05E+06 1.01E+06 1.28E+06 1.04E+06 1.1E+06 1.39E+06 1.2E+06 8.89E+05 1.23E+06 8.81E+05 1.08E+06 1.13E+06 8.25E+05 1.03E+06 9.6E+05 1.15E+06 1.32E+06 1.01E+06 1.08E+06 1.15E+06 8.98E+05 1.12E+06 1.41E+06 1.21E+06 1.1E+06 1.2E+06 1.04E+06 9.26E+05 9.75E+05 1.31E+06 9.13E+05 1.16E+06 1.1E+06 1.45E+06 2-Oxobutanoate_1 2.13E+07 2.22E+07 1.91E+07 1.88E+07 1.67E+07 2.29E+07 2.58E+07 1.17E+07 1.64E+07 1.42E+07 1.93E+07 1.87E+07 1.34E+07 2.25E+07 2.18E+07 1.75E+07 1.97E+07 1.56E+07 1.42E+07 2E+07 1.39E+07 1.78E+07 1.78E+07 1.79E+07 2.08E+07 3.28E+07 2.02E+07 1.77E+07 2.14E+07 2.04E+07 2.35E+07 2.24E+07 1.66E+07 1.88E+07 2.15E+07 2.12E+07 1.94E+07 2.48E+07 2.61E+07 2.47E+07 1.54E+07 2.47E+07 1.48E+07 1.94E+07 1.61E+07 2.07E+07 2.11E+07 1.51E+07 1.92E+07 1.65E+07 2.03E+07 2-Oxobutanoate_2 2.79E+06 2.74E+06 3.09E+06 2.54E+06 3.11E+06 3.45E+06 4.32E+06 2.53E+06 2.25E+06 2.95E+06 1.02E+06 2.81E+06 1.18E+07 3.32E+06 3.71E+06 2.4E+06 3.56E+06 4.23E+06 3.37E+06 3.56E+06 2.27E+06 2.39E+06 1.82E+06 4.4E+06 1.45E+06 4.19E+06 1.74E+06 2.78E+06 2.12E+06 3.42E+06 3.77E+06 3.59E+06 3.9E+06 4.72E+06 3.24E+06 3.44E+06 3.28E+06 3.12E+06 3.05E+06 2.68E+06 1.71E+06 9.03E+06 1.89E+06 2.28E+06 2.52E+06 2.61E+06 2.52E+06 2.84E+06 2.99E+06 2.03E+06 2.74E+06 2-Oxooctadecanoic acid_1 2.46E+06 5.43E+05 4.7E+05 5.87E+06 2.35E+06 2.81E+06 5.13E+05 2.28E+06 4.75E+05 9.46E+05 2.54E+06 5.52E+05 4.64E+05 5.26E+05 2.2E+06 5.83E+05 1.99E+06 3.07E+06 3E+06 8.29E+05 1.93E+06 5.31E+06 4.15E+05 2.4E+06 7.82E+05 2.33E+06 4.01E+06 2.01E+06 5.97E+05 4.48E+05 1.06E+06 1.29E+06 2.38E+06 1.49E+06 6.4E+05 6.06E+05 4.73E+06 2.63E+06 2.75E+06 3.21E+06 3.75E+06 3.86E+05 4.18E+06 2.42E+06 6.09E+06 2.24E+06 6.53E+06 5.31E+06 1.92E+06 3.48E+06 7.1E+06 2-Oxooctadecanoic acid_2 2.94E+06 2.76E+06 2.87E+06 3.08E+06 2.71E+06 2.79E+06 2.91E+06 2.47E+06 2.61E+06 2.54E+06 2.92E+06 2.43E+06 2.66E+06 2.33E+06 2.75E+06 1.92E+06 2.1E+06 2.04E+06 1.88E+06 2.02E+06 1.9E+06 1.92E+06 1.96E+06 1.94E+06 1.82E+06 1.84E+06 1.86E+06 1.69E+06 1.8E+06 1.72E+06 1.9E+06 1.74E+06 1.69E+06 1.65E+06 1.47E+06 1.68E+06 1.64E+06 1.52E+06 1.44E+06 1.59E+06 1.55E+06 1.54E+06 1.5E+06 1.44E+06 1.39E+06 1.33E+06 3E+06 1.29E+06 1.37E+06 1.32E+06 3.06E+06 2-Phenylacetamide_1 3.58E+07 2.91E+07 3.63E+07 2.43E+07 2.53E+07 2.42E+07 3.88E+07 2.07E+07 3.38E+07 1.95E+07 3.1E+07 3.65E+07 1.79E+07 3.09E+07 3.08E+07 2.59E+07 2.81E+07 3.25E+07 2.74E+07 2.88E+07 2.02E+07 1.62E+07 3.61E+07 1.97E+07 2.72E+07 4.09E+07 2.64E+07 2.49E+07 2.68E+07 2.6E+07 2.63E+07 2.49E+07 2.69E+07 3.19E+07 2.22E+07 2.3E+07 1.53E+07 1.54E+07 3.72E+07 2.96E+07 2.94E+07 3.19E+07 3.66E+07 3.68E+07 1.66E+07 1.79E+07 2.91E+07 3.02E+07 2.59E+07 2.92E+07 2.85E+07 2-Phenylacetamide_2 6.09E+05 7.74E+05 4.58E+05 6.91E+05 1.23E+04 3.57E+05 9.6E+05 2.72E+05 9.47E+04 2.41E+05 1.6E+04 3.75E+05 2.07E+04 3.53E+05 4.78E+05 9.95E+04 1.77E+04 4.84E+05 2.36E+04 2.06E+04 3.32E+05 3.19E+05 2.18E+05 3.02E+05 1.67E+05 3.86E+04 2.2E+04 1.32E+04 1.44E+05 7.98E+03 2.98E+05 1.83E+05 2.73E+05 4.03E+05 1.89E+04 3.57E+03 3.94E+03 7.71E+03 3.96E+03 3.52E+04 1.83E+05 1.66E+04 3.96E+05 3.51E+05 2.82E+04 5.23E+04 2.39E+05 2.53E+05 4.63E+04 1.62E+05 7.44E+05 3-(2-Hydroxyphenyl)propanoate_1 6.09E+06 3.43E+06 3.76E+06 3.55E+06 4.37E+06 3.36E+06 3.75E+06 4.01E+06 3.79E+06 4.2E+06 3.56E+06 3.79E+06 4.09E+06 3.68E+06 3.65E+06 3.45E+06 3.68E+06 3.98E+06 3.4E+06 3.2E+06 4.02E+06 5.1E+06 3.8E+06 4.12E+06 4.15E+06 3.34E+06 3.82E+06 3.49E+06 3.89E+06 3.58E+06 3.81E+06 4.64E+06 3.96E+06 4.67E+06 3.36E+06 3.46E+06 4.6E+06 6.48E+06 3.81E+06 3.6E+06 3.91E+06 3.84E+06 3.92E+06 3.74E+06 4.09E+06 4.42E+06 7.7E+06 4.18E+06 3.68E+06 3.63E+06 4.06E+06 3-(2-Hydroxyphenyl)propanoate_2 2.75E+05 9.78E+03 6.51E+05 3.09E+04 8.82E+04 1.25E+05 1E+06 8.73E+04 7.91E+04 3.04E+05 7.59E+03 2.99E+03 2.34E+06 1.96E+04 2.75E+04 8.77E+04 7.77E+04 5.39E+03 1.05E+05 6.3E+04 1.95E+05 7.44E+04 2.67E+03 5.24E+05 4.21E+03 8.4E+03 4.04E+04 8.78E+03 2.04E+03 6.58E+04 1.05E+05 4.02E+03 1.89E+04 5.64E+05 1.71E+04 2.41E+04 4.18E+05 5.68E+04 1.6E+04 4.75E+03 1.45E+04 1.64E+06 2.05E+05 6.24E+03 2.57E+04 7.41E+04 9.83E+03 7.72E+03 7.73E+03 3.51E+04 3.47E+04 3-(Dimethylamino)propyl benzoate_1 1.18E+06 6.02E+06 1.47E+06 1.22E+06 1E+06 1.13E+06 1.08E+06 1.21E+06 9.72E+05 1.16E+06 1.06E+06 1.51E+06 1.1E+06 6.26E+06 1.19E+06 9.5E+05 1.11E+06 1.38E+06 1.19E+06 1.21E+06 1.06E+06 2.27E+06 1.07E+06 1.06E+06 1.07E+06 1.01E+06 1.04E+06 1.96E+06 1.67E+06 7.49E+05 1.22E+06 1.05E+06 1.39E+06 1.18E+06 1.13E+06 1.48E+06 1.02E+06 1.02E+06 1.04E+06 1.03E+06 1.14E+06 1.14E+06 1.03E+06 2.44E+06 2.1E+06 1.03E+06 1.05E+06 1.13E+06 9.85E+05 4.55E+06 1.4E+06 3-(Dimethylamino)propyl benzoate_2 3.57E+06 6.7E+04 6.99E+04 1.82E+05 4.95E+04 1.53E+05 9.41E+04 8.87E+04 6.23E+04 1.33E+05 9.39E+04 1.55E+05 7.69E+04 2.45E+06 1.02E+06 1.73E+05 9.74E+04 7.75E+04 4.26E+04 1.18E+05 9.38E+04 2.27E+06 6.71E+04 3.46E+05 1E+04 2.9E+04 1.2E+05 9.46E+04 8.11E+04 2.18E+06 1.96E+06 7.69E+04 9.32E+04 3.43E+04 2.37E+04 5.62E+04 5.49E+04 2.45E+04 2.49E+05 7.96E+04 3.08E+05 2.18E+04 5.65E+04 5.63E+05 1.99E+06 5.74E+04 1.29E+05 2.96E+04 8.29E+04 6.46E+04 1.93E+06 3-(Dimethylamino)propyl benzoate_3 3.98E+05 1.88E+05 9.22E+04 5.47E+04 1.42E+05 2.57E+05 5.17E+04 7.79E+04 1.72E+05 2.19E+04 8.51E+03 4.18E+04 1.59E+05 2E+05 3.08E+05 8.77E+04 6.82E+04 2.59E+05 2.87E+04 8.4E+04 1.19E+05 1.7E+05 1.1E+04 9.05E+04 2.88E+04 1.22E+04 3.7E+04 2.43E+05 3.95E+04 2.84E+05 5.55E+04 1.03E+05 5.74E+04 1.73E+05 1.45E+05 1.84E+04 5.26E+04 4.03E+04 1.11E+06 2.53E+04 3.54E+04 1.33E+05 2.93E+04 5.89E+04 7.01E+04 3.11E+04 3.23E+04 4.25E+04 1.19E+05 2.19E+05 8.49E+04 3-(Imidazol-4-yl)-2-oxopropyl phosphate_1 1.2E+05 1.72E+05 6.57E+04 9.6E+04 1.12E+05 1.29E+05 8.72E+04 1.04E+05 1.21E+05 8.1E+04 2.94E+04 4.73E+04 1.21E+05 1.35E+05 7.82E+04 4.75E+04 9.47E+04 2.76E+04 4.1E+04 9.18E+04 9.41E+04 5.6E+04 1.69E+05 3.34E+04 7.18E+04 1.25E+05 2.05E+05 7.33E+04 7.73E+04 4.86E+04 2.48E+05 3.28E+04 4.34E+04 2.08E+05 1.69E+05 6.93E+04 3.63E+04 9.61E+04 2.91E+05 1.04E+05 2.66E+04 1.76E+05 6.29E+04 3.57E+04 5.12E+04 4.47E+04 1.39E+05 1.03E+05 2.96E+04 8.08E+04 9.07E+04 3-(Imidazol-4-yl)-2-oxopropyl phosphate_2 1.3E+05 2.93E+04 1.02E+05 2.34E+05 8E+04 4.66E+05 3.42E+04 4.72E+04 8.04E+04 1.1E+05 1.38E+05 7.82E+04 3.92E+05 9.75E+04 1.13E+04 3.23E+04 1.76E+05 7.14E+04 7.7E+04 1.02E+05 1.57E+04 3.58E+04 3.51E+05 1.91E+05 2.15E+05 1.12E+05 1.09E+05 6.33E+04 7.75E+04 1.41E+05 4.26E+04 6E+04 4.45E+04 8.34E+04 9.39E+04 4.85E+04 1.65E+05 1.28E+05 1.62E+05 2.82E+05 6.98E+04 4.57E+04 7.03E+04 9.1E+04 6.17E+04 5.59E+04 1.14E+05 8.87E+04 7.24E+04 2.64E+04 2.54E+05 3-(Methylthio)propanoate 9.69E+05 1.1E+06 4.6E+05 7.02E+05 6.68E+05 2.54E+05 1.61E+06 4.65E+05 6.95E+05 1.25E+05 1.8E+05 2.11E+05 2.87E+05 9.6E+04 8.07E+04 4.77E+05 3.46E+05 3E+04 2.35E+06 6.75E+04 1.27E+06 1.66E+06 6.02E+04 2.15E+06 3.38E+04 5.01E+05 9.41E+05 2.67E+06 6.96E+05 3.61E+05 1.04E+06 2.15E+05 2.62E+04 1.02E+06 2.26E+05 6.83E+05 1.77E+06 1.41E+06 5.23E+04 1.54E+05 1.9E+05 1.86E+06 1.81E+06 2.57E+05 1.51E+06 1.82E+05 7.97E+04 5.11E+04 1.19E+06 7.39E+05 2.6E+06 3,3'-Dimethylbisphenol A 1.1E+06 5.02E+05 1.86E+05 1.96E+05 3.63E+05 3.31E+05 1.28E+05 2.83E+04 3.99E+05 2.9E+05 3.93E+05 5.38E+05 2.48E+03 3.59E+05 4.75E+04 3.02E+05 5.28E+05 7.2E+04 6.34E+04 4.54E+04 4.82E+05 1.68E+06 3.81E+04 3.71E+05 6.2E+05 3.46E+04 2.61E+05 2.37E+05 4.9E+05 2.64E+05 4.8E+05 2.38E+05 1.09E+05 1.75E+05 3.51E+05 7.01E+05 1.19E+06 3.64E+05 6.35E+05 2.52E+05 5.17E+05 9.04E+04 9.59E+04 2.54E+05 3.35E+05 1.08E+06 3.12E+06 3.54E+05 2.4E+05 9.43E+05 4.03E+05 3,4-Dihydroxy-L-phenylalanine_1 2.03E+06 1.51E+06 3.02E+06 3.13E+06 1.2E+06 2.12E+06 2.32E+06 1.61E+06 1.8E+06 1.65E+06 6.93E+05 2.05E+06 9.51E+05 1.22E+06 1.14E+06 1.82E+06 1.46E+06 4.17E+05 3.51E+06 1.51E+06 1.2E+06 9.13E+05 4.78E+05 1.12E+06 2.13E+05 2.08E+06 1.33E+06 2.91E+06 1.33E+06 1.44E+06 1.65E+06 2.25E+05 4.41E+05 1.57E+06 1.46E+06 3.42E+06 8.12E+05 8.13E+05 1.53E+06 1.24E+06 8.33E+05 1.32E+06 2.12E+06 7.95E+05 9.5E+05 2.96E+05 7.94E+05 3.06E+05 6.16E+05 1.89E+06 2.09E+06 3,4-Dihydroxy-L-phenylalanine_2 5.19E+05 5.1E+05 1.33E+05 6.19E+05 6.33E+03 2.71E+05 2.26E+05 4.54E+03 2.38E+04 5.67E+04 8.91E+03 6.97E+05 2.34E+03 1.05E+05 3.95E+04 8.81E+04 1.34E+05 2.09E+03 4.5E+05 1.77E+05 2.56E+05 6.02E+05 2.31E+03 5.46E+05 2.49E+03 2.88E+05 6.01E+04 5.82E+05 2.88E+05 4.92E+04 3.07E+05 1.58E+03 7.94E+03 2.49E+05 2.27E+05 3.41E+05 1.56E+05 1.52E+05 2.14E+05 1.01E+05 4.82E+03 1.73E+05 3.2E+05 5.6E+03 5.46E+05 1.9E+03 3.26E+03 1.84E+03 6.54E+04 4.6E+05 7.32E+05 3,4-Dihydroxymandelate_1 7.12E+04 1.63E+05 9.93E+03 3.72E+04 4.74E+04 1.9E+03 7.03E+03 1.15E+03 1.95E+03 1.6E+04 1.54E+03 1.62E+03 0 3.03E+05 2.07E+03 2.44E+03 2.12E+04 5.42E+04 1.02E+05 6.74E+04 2.06E+04 1.67E+04 0 1.96E+04 1.89E+03 0 8.35E+05 7.19E+03 1.95E+03 8.01E+03 7.92E+05 1.4E+05 1.78E+05 1.05E+04 8.7E+06 0 8.68E+04 4.25E+04 2.83E+04 0 1.78E+03 1.53E+04 0 1.67E+05 2E+04 3.63E+04 0 2.14E+03 2.34E+03 1.36E+05 5.07E+04 3,4-Dihydroxymandelate_2 5.63E+03 1.54E+05 2.62E+04 0 1.51E+03 0 0 0 0 2.9E+03 0 0 0 2.56E+05 0 0 5.83E+03 4.5E+04 5.84E+03 3.94E+03 0 1.83E+03 0 1.98E+03 0 1.86E+03 9.92E+05 3.65E+03 0 4.07E+03 9.26E+05 2.12E+04 1.58E+05 1.21E+04 2.03E+06 6.86E+03 4.37E+03 2.19E+03 7.2E+03 0 0 1.23E+04 0 1.31E+05 4.57E+03 2.06E+03 0 0 0 9.67E+04 0 3,4-Dihydroxyphthalate 2.23E+06 2.16E+05 5.5E+04 5.94E+04 4.98E+04 1.01E+05 3.41E+04 1.48E+05 1.35E+04 7.4E+04 3.77E+06 3.87E+04 1.41E+04 1.28E+05 2.5E+06 2.73E+06 2.77E+06 4.58E+04 1.72E+04 1.35E+05 1.61E+06 1.23E+06 2.54E+04 1.45E+06 1.85E+05 2.48E+05 1.56E+04 9.72E+04 1.78E+05 2.11E+04 1.48E+05 5.45E+04 3.74E+04 2.38E+05 8.53E+04 8.06E+04 2.59E+06 1.36E+06 1.84E+05 4.53E+04 3.55E+06 2.96E+06 3.48E+04 2.38E+06 4.67E+04 2.49E+05 1.06E+05 2.05E+06 2.69E+06 4.26E+04 6.36E+03 3,4-Methylenedioxymethamphetamine 3.07E+07 3.05E+07 3.02E+07 3.04E+07 2.96E+07 3.02E+07 3.03E+07 3.18E+07 2.58E+07 3.18E+07 2.96E+07 3.14E+07 3.18E+07 3.23E+07 3.12E+07 3.09E+07 3.17E+07 3.04E+07 2.98E+07 3.11E+07 2.99E+07 2.95E+07 2.99E+07 3.09E+07 2.84E+07 2.99E+07 2.86E+07 2.88E+07 2.87E+07 2.94E+07 3.04E+07 2.86E+07 2.84E+07 2.86E+07 2.78E+07 2.83E+07 2.92E+07 3E+07 2.75E+07 2.81E+07 2.91E+07 2.77E+07 2.86E+07 2.86E+07 2.79E+07 2.82E+07 3.25E+07 2.68E+07 2.73E+07 2.71E+07 3.19E+07 3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_1 1.85E+06 1.95E+06 1.89E+06 1.86E+06 1.89E+06 2.03E+06 1.59E+06 2.18E+06 2.1E+06 2.12E+06 1.86E+06 2E+06 2.08E+06 2.14E+06 2.09E+06 1.97E+06 2.04E+06 2.03E+06 2.07E+06 1.98E+06 1.97E+06 1.8E+06 1.88E+06 2.01E+06 1.92E+06 1.97E+06 1.81E+06 1.84E+06 1.85E+06 1.84E+06 1.85E+06 1.9E+06 1.94E+06 1.89E+06 1.88E+06 1.85E+06 1.87E+06 1.86E+06 1.69E+06 1.94E+06 1.83E+06 1.91E+06 1.93E+06 1.93E+06 1.86E+06 1.89E+06 1.81E+06 1.83E+06 1.83E+06 1.79E+06 1.8E+06 3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_2 1.46E+05 1.26E+05 7.96E+05 1.41E+05 1.23E+05 1.59E+05 1.25E+05 1.17E+05 9.69E+04 1.15E+05 1.41E+05 1.23E+05 1.39E+05 1.01E+05 1.26E+05 1.03E+05 3.81E+04 1.39E+05 9.61E+04 1.34E+05 4.33E+04 1.17E+05 1.08E+05 1.21E+05 1.29E+05 1.04E+05 1.34E+05 9.33E+04 1.33E+05 1.25E+05 9.54E+04 1.23E+05 1.69E+05 1.01E+05 9.9E+04 1.04E+05 4.79E+04 1.28E+05 5.86E+04 1.01E+05 1.16E+05 1.01E+05 9.85E+04 1.02E+05 8.96E+04 1.19E+05 1.55E+05 1.01E+05 1.11E+05 5.26E+04 1.38E+05 3-AMINO-4-HYDROXYBENZOIC ACID 1.87E+05 5.4E+04 1.62E+05 1.56E+05 6.36E+04 2.09E+05 8.58E+04 3.9E+04 4.33E+04 1.72E+04 1.17E+04 2.67E+05 3.98E+04 4.02E+04 4.52E+04 5.61E+04 4.63E+04 1.67E+04 1.17E+05 5.27E+04 1.95E+05 3.28E+05 3.22E+04 1.73E+05 7.1E+03 1.18E+05 2.41E+05 5.47E+04 3.39E+05 3.15E+04 9.33E+04 2.67E+04 6.14E+04 9.44E+04 9.79E+04 1.5E+05 6.16E+04 1.09E+05 5.94E+04 1.61E+05 9.84E+04 1.56E+05 1.2E+05 1.26E+04 3.74E+05 4.28E+04 1.83E+04 1.95E+04 4.29E+04 1.26E+05 4.59E+04 3-Aminopropanesulfonate 2.19E+05 1.91E+03 6.19E+03 2.44E+03 4.63E+03 2.04E+03 4.51E+03 2.23E+03 4.97E+03 1E+03 1.79E+03 2.04E+03 3.16E+03 2.18E+05 1.11E+05 2.73E+03 2.18E+04 2.88E+03 1.07E+03 7.44E+03 2.82E+03 1.72E+05 2.46E+03 9.55E+03 1.55E+03 1.93E+03 4.92E+03 2.73E+03 2.12E+03 3.64E+05 3.05E+05 1.66E+03 2.23E+03 7.68E+03 8.25E+04 3.94E+03 2.25E+03 1.14E+04 6.69E+03 4.67E+03 3.85E+04 2.6E+03 1.92E+03 2.46E+04 1.5E+05 4.27E+03 4.86E+03 2.67E+03 2.08E+03 3.29E+03 2.77E+05 3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine 5.07E+06 0 0 0 0 1.57E+03 0 0 1.99E+03 0 0 0 0 0 0 0 1.99E+03 0 3.02E+05 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.77E+03 0 0 0 0 0 2.08E+03 0 0 0 0 0 1.67E+03 0 0 0 0 3-Buten-1-amine 1.4E+08 1.25E+08 1.38E+08 1.1E+08 1.06E+08 1.21E+08 1.4E+08 8.67E+07 1.16E+08 1.11E+08 1.12E+08 1.41E+08 1.11E+08 1.24E+08 1.34E+08 1.09E+08 1.13E+08 1.29E+08 1.03E+08 1.32E+08 9.07E+07 7.78E+07 1.44E+08 1.01E+08 9.83E+07 1.18E+08 1.34E+08 1.04E+08 1.08E+08 1.12E+08 1.17E+08 1.12E+08 1.16E+08 1.35E+08 1.21E+08 1.17E+08 1.06E+08 9.35E+07 1.51E+08 1.37E+08 1.11E+08 1.42E+08 1.1E+08 1.49E+08 8.65E+07 9.94E+07 1.02E+08 1.3E+08 1.14E+08 1.19E+08 1.36E+08 3-Butylidene-7-hydroxyphthalide 1.47E+06 1.26E+06 1.09E+06 1.19E+06 1.33E+06 1.29E+06 1.03E+06 1.36E+06 1.41E+06 1.41E+06 1.22E+06 1.35E+06 1.32E+06 1.39E+06 1.25E+06 1.33E+06 1.37E+06 1.36E+06 1.34E+06 1.36E+06 1.32E+06 1.57E+06 1.28E+06 1.36E+06 1.36E+06 1.38E+06 1.39E+06 1.24E+06 1.37E+06 1.13E+06 1.4E+06 1.4E+06 1.41E+06 1.42E+06 1.34E+06 1.46E+06 1.44E+06 1.41E+06 1.34E+06 1.28E+06 1.46E+06 1.24E+06 1.27E+06 1.31E+06 1.21E+06 1.38E+06 3.47E+06 1.25E+06 1.33E+06 1.38E+06 1.33E+06 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone 9.36E+07 9.53E+07 9.44E+07 9.38E+07 9.1E+07 9.35E+07 9.25E+07 8.13E+07 9.36E+07 9.06E+07 9.7E+07 9.02E+07 9.02E+07 8.91E+07 8.98E+07 8.54E+07 8.63E+07 8.46E+07 8.79E+07 8.65E+07 8.29E+07 8.95E+07 8.7E+07 8.68E+07 8.98E+07 8.81E+07 8.66E+07 9.08E+07 8.87E+07 8.73E+07 8.86E+07 8.81E+07 8.71E+07 8.82E+07 8.31E+07 8.89E+07 8.73E+07 8.79E+07 8.47E+07 8.29E+07 8.28E+07 8.44E+07 7.89E+07 8.5E+07 8.23E+07 8.36E+07 9.7E+07 8.17E+07 8.84E+07 8.38E+07 9.33E+07 3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1 1.46E+06 1.52E+05 3.44E+05 2.31E+05 3.34E+05 4.51E+04 1.02E+06 9.38E+04 4.66E+05 5.81E+05 1.03E+05 6.72E+04 6.6E+03 2.22E+05 9.66E+05 1.56E+06 3.13E+05 2.19E+05 4.94E+04 1.06E+05 2.17E+05 5.05E+05 4E+04 1.36E+05 2.88E+04 3.59E+05 9.55E+05 2.69E+05 1.24E+05 4.64E+05 3.81E+05 9.17E+04 1.48E+05 5.71E+05 4.86E+05 1.22E+05 4.71E+06 4.61E+05 3.29E+06 8E+04 2.79E+05 3.19E+04 1.75E+05 1.16E+05 1.7E+05 1.58E+06 1.15E+06 2.33E+05 4.67E+06 1.95E+05 9.23E+05 3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2 3.64E+05 8.51E+04 1.1E+05 4.83E+03 2.18E+05 1.58E+05 1.98E+04 1.45E+04 4.09E+04 1.47E+04 4.74E+04 1.58E+05 9.11E+03 3.86E+04 4.69E+04 2.48E+04 2.16E+04 2.67E+04 3.41E+04 2.57E+03 1.2E+05 4.75E+05 2.48E+04 1.09E+05 1.73E+05 2.11E+04 8.8E+04 1.33E+04 2.63E+05 2.22E+04 2.29E+04 3.71E+04 2.43E+04 3.52E+04 6.72E+03 1.25E+05 1.89E+05 4.61E+04 1.56E+05 5.51E+04 2.03E+05 7.74E+03 7.77E+03 1.44E+04 1.62E+05 2.68E+05 1.56E+06 1.25E+05 2.13E+04 1.57E+05 9.72E+04 3-Fluoro-cis,cis-muconate 4.15E+05 9.39E+05 6.78E+05 4.97E+05 1.5E+05 1.11E+06 4.3E+05 2.81E+03 5.71E+05 1.45E+05 8.13E+04 5.18E+04 8.91E+05 4.67E+04 1.29E+05 9.52E+04 1.32E+05 9.17E+05 2.82E+05 2.99E+05 5.19E+05 1.98E+05 7.03E+05 6.78E+05 5.42E+04 5.88E+05 4.57E+05 5.63E+05 2.67E+05 5.05E+04 9.27E+05 5.43E+05 1.69E+06 7.94E+05 5.18E+05 1.16E+06 1.94E+05 5.46E+05 6.15E+05 2.4E+06 2.36E+03 7.91E+05 3.5E+05 7.7E+04 2.5E+05 2.24E+05 8.58E+05 3.77E+03 4.35E+05 1.88E+06 9.29E+05 3-Hydroxyhexobarbital 0 0 0 0 0 1.93E+03 0 0 0 0 0 0 0 0 0 1.63E+03 0 1.7E+03 0 0 0 1.96E+03 0 0 0 0 1.58E+03 0 2.13E+03 1.85E+03 1.6E+03 0 0 0 1.42E+03 0 2.08E+03 0 0 0 0 0 0 0 0 0 0 0 0 1.75E+03 1.54E+03 3-Isopropylcatechol_1 1.29E+05 1.61E+05 1.55E+05 1.64E+05 1.89E+05 7.32E+04 1.75E+05 1.56E+05 1.47E+05 5.72E+04 1.88E+05 2.09E+05 3.08E+05 1.44E+05 1.45E+05 1.71E+05 1.41E+05 1.38E+05 1.32E+05 1.6E+05 1.17E+05 5.97E+04 1.56E+05 1.79E+05 1.88E+05 1.76E+05 1.38E+05 1.39E+05 1.34E+05 2.27E+05 1.37E+05 1.63E+05 1.73E+05 1.55E+05 1.36E+05 2.19E+05 1.58E+05 1.36E+05 1.42E+05 1.35E+05 1.89E+05 1.74E+05 1.94E+05 8.78E+04 1.64E+05 1.89E+05 1.25E+05 6.66E+04 2.12E+05 1.55E+05 2.45E+05 3-Isopropylcatechol_2 6.65E+05 7.11E+04 4.96E+04 8.88E+04 1.04E+05 6.18E+04 2.57E+04 4.05E+04 6.83E+04 5.98E+04 3.46E+04 1.55E+04 7.77E+04 3.05E+05 2.41E+05 1.25E+05 1.13E+05 8.65E+04 4.04E+04 4.35E+04 9.94E+04 2.77E+05 3.08E+04 1.01E+05 5.57E+04 2.89E+04 5.98E+04 4.97E+04 8.36E+04 9.17E+05 3.25E+05 1.01E+04 1.25E+05 8.09E+03 2.53E+05 3.47E+04 5.77E+04 6.77E+04 3.12E+04 5.68E+04 2.25E+05 2.8E+04 5.1E+04 8.88E+04 9.39E+04 4.81E+04 1.21E+05 3.09E+04 3.46E+04 4.6E+04 8.05E+05 3-Mercaptolactate 4.91E+05 8.99E+05 9.41E+05 6.46E+05 9.62E+04 5.19E+05 9.56E+05 2.01E+05 3.26E+05 3.18E+05 4.51E+05 9.49E+05 5.57E+05 8.91E+05 5.43E+05 3.68E+05 2.99E+05 6.09E+05 3.29E+05 4.13E+05 2.45E+05 4.05E+05 1.26E+06 4.6E+05 5.34E+05 6.39E+05 2.42E+05 5.24E+05 6.02E+05 3.79E+05 4.18E+05 5.46E+05 8.51E+05 3.28E+05 4.45E+05 3.6E+05 7.08E+05 4.82E+05 3.31E+05 3.48E+05 1.16E+06 3.13E+05 2.67E+05 2.73E+05 3.92E+05 4.57E+05 6.61E+05 4.24E+05 4.67E+05 3.32E+05 7.22E+05 3-Methyl-2-oxobutanoic acid_1 5.83E+07 7.15E+07 5.84E+07 5.7E+07 5.91E+07 7.36E+07 7.78E+07 4.28E+07 5.37E+07 4.36E+07 5.61E+07 5.57E+07 4.82E+07 5.91E+07 7.41E+07 5.26E+07 5.83E+07 4.8E+07 4.6E+07 6.09E+07 4.32E+07 5.61E+07 4.13E+07 5.58E+07 5.92E+07 9.71E+07 6.53E+07 6.16E+07 6.08E+07 6.36E+07 6.36E+07 6.56E+07 4.98E+07 6.08E+07 5.72E+07 7E+07 5.81E+07 8.61E+07 7.17E+07 6.09E+07 4.39E+07 7.57E+07 4.92E+07 5.5E+07 5.17E+07 7.24E+07 6.65E+07 4.81E+07 5.99E+07 4.78E+07 5.47E+07 3-Methyl-2-oxobutanoic acid_2 5.06E+06 2.8E+06 3.44E+06 7.51E+05 4.55E+06 5.08E+06 3.65E+06 1.7E+06 3.06E+06 2.3E+06 3.67E+06 4E+06 1.03E+06 1.36E+06 3.06E+06 1.41E+06 4.81E+06 3.59E+05 1.2E+06 3.55E+06 1.7E+06 4.78E+06 4.17E+06 7.48E+05 4.73E+06 5.75E+06 1.79E+06 6.46E+05 5.09E+06 2.33E+06 5.95E+05 2.81E+06 1.1E+06 2.09E+06 1.07E+06 9.59E+06 3.84E+06 1.9E+06 6.85E+06 9.58E+05 2E+06 6E+06 9.38E+05 4.82E+06 4.5E+06 8.66E+06 5.13E+05 4.24E+05 4.71E+06 2.4E+06 5.09E+06 3-METHYLADENINE 1.34E+06 2.56E+03 1.39E+03 2.17E+03 2.85E+03 4.28E+03 1.1E+03 5.11E+03 4.94E+03 2.7E+03 4.41E+03 1.62E+03 5.39E+03 2.42E+06 9.13E+05 1.24E+04 8.72E+04 4.42E+03 3.01E+03 2.58E+03 5.69E+03 1.26E+06 2.41E+03 2.69E+05 2.6E+03 5.35E+03 2.73E+03 7.07E+03 4.36E+03 3.31E+06 1.96E+06 2.89E+03 3.62E+03 2.85E+03 5.03E+05 3.88E+03 1.42E+03 9.66E+04 3.69E+03 3E+03 1.1E+06 3.9E+03 2.68E+03 3.07E+05 1.41E+06 4.79E+03 1.37E+03 4.7E+03 4.19E+03 6.73E+03 1.89E+06 3-Methyldioxyindole 2.25E+06 5.26E+06 3.32E+06 5.09E+06 1.06E+04 2.13E+06 4.63E+06 2.14E+06 5.54E+05 2.62E+06 1.17E+05 2.33E+06 3.22E+05 1.99E+06 3.5E+06 5.69E+05 4.34E+03 5.22E+06 2.54E+05 3.66E+03 2.94E+06 3.39E+06 2.07E+06 2.74E+06 1.24E+06 7.32E+03 3.01E+03 2.47E+05 8.34E+05 1.02E+04 2.12E+06 1.72E+06 3.43E+06 3.07E+06 4.2E+03 5.34E+04 7.24E+03 2.6E+04 1.06E+04 1.37E+04 1.34E+06 1.28E+04 1.86E+06 2.29E+06 3.07E+04 9.81E+05 1.69E+06 1.75E+06 7.31E+03 9.97E+05 3.99E+06 3-Methyleneoxindole_1 1.19E+07 9.49E+06 8.91E+06 9.14E+06 5.2E+06 7.43E+06 1.01E+07 6.04E+06 6.88E+06 6.36E+06 6.26E+06 1.04E+07 4.93E+06 6.94E+06 6.5E+06 6.55E+06 5.42E+06 5.76E+06 9.12E+06 8.25E+06 9.11E+06 1.17E+07 8.01E+06 1.07E+07 4.24E+06 6.6E+06 6.53E+06 1.01E+07 6.99E+06 7.3E+06 6.99E+06 4.72E+06 5.73E+06 8.58E+06 7.26E+06 8.21E+06 9.6E+06 8.34E+06 4.97E+06 7.34E+06 6.36E+06 9.24E+06 9.34E+06 5.91E+06 1.09E+07 5.6E+06 6.74E+06 4.89E+06 7.85E+06 7.22E+06 1.35E+07 3-Methyleneoxindole_2 9.27E+06 8.74E+06 6.89E+06 8.63E+06 3.89E+06 5.32E+06 1.01E+07 6.15E+06 5.59E+06 4.48E+06 5.38E+06 1.03E+07 3.54E+06 4.1E+06 2.44E+06 4.58E+06 5.11E+06 5.43E+06 1.23E+07 6.44E+06 1.04E+07 1.63E+07 6.29E+06 1.52E+07 3.91E+06 4.39E+06 4.98E+06 1.37E+07 4.47E+06 4.53E+06 6.06E+06 2.98E+06 3.91E+06 9.53E+06 4.98E+06 1.06E+07 1.33E+07 1.34E+07 2.61E+06 3.89E+06 5.67E+06 9.99E+06 1.15E+07 2.87E+06 1.22E+07 6.57E+06 6.63E+06 4.78E+06 8.43E+06 8.6E+06 9.81E+06 3-Methyleneoxindole_3 4.17E+05 5.62E+05 1.09E+06 2.3E+05 5.76E+05 2.97E+05 8.48E+05 1.65E+06 4.87E+05 9.22E+05 1.53E+06 3.22E+05 1.29E+06 9.42E+05 1.9E+06 9.58E+05 6.18E+05 1.26E+06 5.68E+05 6.23E+05 1.91E+05 1.66E+05 1.35E+06 1.05E+05 7.18E+05 4.2E+05 6.68E+05 4.6E+05 3.77E+04 1.35E+06 6.96E+05 1.18E+06 1.45E+06 5.07E+05 6.49E+05 8.35E+05 2.96E+05 9.33E+04 6.67E+05 4.13E+05 1.03E+06 1.24E+05 3.74E+05 1.36E+06 4.37E+04 8.56E+05 7.39E+05 1.48E+06 5.04E+04 6.2E+05 1.7E+05 3-Methylguanine_1 5.13E+06 1.98E+06 2.87E+06 2.3E+06 2.24E+06 2.52E+06 2.41E+06 1.28E+06 2.04E+06 2.21E+06 2.52E+06 2E+06 2.88E+06 8.16E+06 3.35E+06 2.06E+06 2.38E+06 2.42E+06 2.42E+06 1.84E+06 3.41E+06 4.19E+06 2.78E+06 3.57E+06 2.45E+06 2E+06 1.88E+06 2.39E+06 2.71E+06 9.65E+06 4.6E+06 2.84E+06 2.57E+06 2.24E+06 3.1E+06 1.81E+06 2.83E+06 2.18E+06 2.57E+06 3.36E+06 3.37E+06 2.8E+06 1.76E+06 2.8E+06 4.68E+06 2.19E+06 2.65E+06 1.73E+06 2.04E+06 1.88E+06 7.14E+06 3-Methylguanine_2 2.29E+05 9.63E+04 2.37E+05 6.23E+04 1.41E+05 1.95E+05 8.8E+04 5.09E+03 3.13E+04 1.55E+05 1.47E+05 1.36E+05 2.11E+05 1.79E+05 8.55E+04 2.38E+04 1.01E+05 1.28E+05 2.09E+05 7.67E+04 1.72E+05 3.04E+04 1.57E+05 1.44E+05 8.78E+04 1.11E+05 1.59E+05 1.34E+05 2.06E+05 1.71E+05 1.25E+05 1.97E+05 1.03E+05 2.16E+05 5.09E+04 1.49E+05 1.08E+05 8.87E+04 8.32E+04 1.98E+05 4.98E+04 1.98E+05 1.01E+05 1.58E+05 5.38E+04 2.44E+05 2.25E+05 1.57E+05 3.04E+04 1.69E+05 2.25E+05 3-Oxalomalate 5.49E+04 1.02E+05 2.3E+05 1.07E+05 2.26E+05 1.22E+05 8.69E+04 8.72E+04 6.84E+04 1.22E+05 1.43E+05 1.83E+05 8.05E+04 1.96E+05 1.28E+05 7.62E+04 9.47E+04 1.12E+04 4.74E+04 1.68E+05 5.83E+04 1.72E+05 1E+05 2.04E+05 1.32E+05 6.9E+04 4.27E+04 7.13E+04 2.05E+05 4.21E+04 8.26E+04 1.31E+05 1.46E+05 1.85E+05 1.22E+05 2.52E+05 5.56E+04 9.47E+04 1.93E+05 1.85E+05 3.38E+05 7.13E+04 3.63E+05 2.98E+05 1.92E+05 7.51E+04 1.61E+05 2.8E+05 2.97E+05 1.04E+05 1.45E+05 3-Oxo-5beta-cholanate_1 5.33E+05 2.46E+05 9.38E+04 9.37E+04 1.57E+05 1.62E+05 1.21E+05 1.94E+04 1.75E+05 1.77E+05 2.4E+05 2.43E+05 1.9E+03 1.42E+05 5.66E+04 3.18E+05 4.73E+05 1.12E+04 1.77E+04 2.93E+03 2.03E+05 8.11E+05 6.26E+04 1.48E+05 2.89E+05 9.05E+03 1.07E+05 1.01E+05 2.2E+05 1.1E+05 2.43E+05 1.05E+05 2.67E+04 7.39E+04 3.52E+05 2.95E+05 5.1E+05 1.61E+05 2.72E+05 1.15E+05 2.26E+05 3.08E+04 5.01E+04 9.75E+04 1.42E+05 4.62E+05 1.5E+06 1.48E+05 2.69E+05 3.82E+05 1.97E+05 3-Oxo-5beta-cholanate_2 3.52E+05 1.95E+05 9.51E+04 1.4E+04 1.16E+05 2.43E+05 1.12E+05 4.96E+04 3.58E+05 1.73E+04 6.19E+04 1.59E+05 9.28E+03 2.78E+04 1.17E+04 5.41E+05 1.48E+05 1.5E+04 3.47E+04 2.5E+04 9.03E+04 2.83E+05 5.23E+04 1.1E+05 1.11E+05 4.88E+04 5.64E+04 6.29E+04 2.31E+05 5.07E+04 2.18E+04 8.03E+04 5.86E+04 4.81E+04 1.47E+05 1.38E+05 1.21E+05 1.06E+05 2.43E+05 5.16E+04 2.19E+05 2.84E+04 6.78E+03 4.44E+04 1.13E+05 2.73E+05 7.93E+05 1.6E+05 2.92E+05 1.66E+05 8.95E+04 3-Oxododecanoic acid_1 5.38E+05 5.5E+05 5.36E+05 4.91E+05 5.7E+05 5.12E+05 4.91E+05 5.41E+05 5.48E+05 5.28E+05 5.04E+05 5.59E+05 7.22E+05 5.21E+05 5.63E+05 5.18E+05 5.28E+05 5.06E+05 5.51E+05 5.2E+05 5.49E+05 4.74E+05 5.43E+05 5.46E+05 5.37E+05 5.41E+05 5.1E+05 5.18E+05 5.12E+05 4.69E+05 5.07E+05 5.64E+05 4.6E+05 5.19E+05 4.77E+05 4.97E+05 5.07E+05 5.41E+05 5.02E+05 5.14E+05 5.07E+05 4.9E+05 5.2E+05 4.94E+05 4.93E+05 5.2E+05 5.17E+05 5.15E+05 4.99E+05 5.39E+05 5.06E+05 3-Oxododecanoic acid_2 8.48E+05 4.17E+05 4.13E+05 1.42E+05 3.33E+05 6.73E+05 5.2E+05 3.39E+05 3.97E+05 3.25E+05 1.98E+05 1.57E+05 2.15E+06 3.58E+05 4.74E+05 6.34E+05 2.25E+05 3.67E+05 2.92E+05 1.26E+05 6.58E+05 1.08E+06 3.99E+05 3.59E+05 4.42E+04 4.04E+05 4.5E+05 5.6E+05 3.72E+05 2.02E+05 7.23E+05 1.76E+05 3.82E+05 5.27E+05 5.43E+05 2.92E+05 1.93E+05 2.61E+05 7.85E+05 2.15E+05 3.83E+04 6.78E+05 2.24E+05 2.29E+05 5.68E+05 2.03E+05 9.03E+05 1.77E+05 1.84E+05 4.17E+05 6.17E+05 3-Oxohexobarbital 0 0 0 0 0 0 0 0 0 0 0 0 0 2.46E+03 0 0 0 0 0 0 0 0 0 0 0 0 1.88E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.95E+03 0 3-Sulfocatechol 2.35E+06 1.81E+06 2.34E+06 1.66E+06 2.12E+06 2.65E+06 2.44E+06 1.6E+06 1.99E+06 2.03E+06 3.04E+06 1.52E+06 7.41E+05 2.33E+06 2.94E+06 2.18E+06 2.04E+06 2.73E+06 1.69E+06 1.67E+06 1.79E+06 2.13E+06 4.87E+06 3.82E+06 2.7E+06 1.7E+06 1.65E+06 1.57E+06 1.84E+06 2.08E+06 1.67E+06 2.45E+06 2.58E+06 2.1E+06 1.68E+06 1.46E+06 2.62E+06 2.2E+06 1.67E+06 2.82E+06 1.99E+06 2.28E+06 1.82E+06 2.8E+06 1.86E+06 2.14E+06 2.83E+06 2.58E+06 2.09E+06 1.51E+06 3.08E+06 3-tert-Butyl-5-methylcatechol 2.07E+05 2.05E+05 2.04E+05 1.91E+05 2.31E+05 2.15E+05 9.81E+04 1.78E+05 2.68E+05 1.72E+05 2.02E+05 2.53E+05 1.58E+05 2.04E+05 2.3E+05 1.98E+05 2.56E+05 1.97E+05 1.94E+05 2.34E+05 2.46E+05 2.63E+05 1.98E+05 1.96E+05 2.14E+05 2.08E+05 2.68E+05 2.25E+05 8.6E+04 2.09E+05 2.17E+05 1.77E+05 1.83E+05 3.75E+05 2.49E+05 1.52E+05 2.2E+05 1.23E+05 3.35E+05 2.03E+05 2.15E+05 3.9E+05 2E+05 1.59E+05 2.42E+05 2.36E+05 2.49E+05 2.25E+05 2.26E+05 2.23E+05 2.2E+05 3-UREIDOPROPIONATE 3.99E+05 3.48E+05 4.18E+05 4.48E+05 4.56E+05 4.43E+05 2.96E+05 8.47E+04 4.2E+05 6.42E+05 1.18E+06 4.19E+05 3.53E+05 5.74E+05 3.25E+05 3.36E+05 6.6E+05 4.12E+05 3.83E+05 4.22E+05 3.84E+05 3.97E+05 3.65E+05 2.67E+05 3.94E+05 4.89E+05 3.6E+05 3.37E+05 3.08E+05 5.55E+05 2.86E+05 4.04E+05 4.31E+05 2.58E+05 3.59E+05 3.9E+05 2.39E+05 1.31E+05 3.4E+05 6.55E+05 3.66E+05 2.84E+05 1.93E+05 4.01E+05 4.61E+05 3.57E+05 7.51E+05 2.72E+05 4.8E+05 2.63E+05 2.7E+05 4,8-Dihydroxyquinoline_1 5.07E+05 2.37E+05 9.43E+05 2.37E+05 6.8E+05 2.58E+05 9.51E+05 1.07E+06 8.27E+05 6.36E+05 8.97E+05 3.17E+05 4.71E+05 5.33E+05 3.52E+05 6.92E+05 4.39E+05 7.85E+05 3.26E+05 4.97E+05 3.89E+05 4.34E+05 9.22E+05 4.11E+05 2.68E+05 2.86E+05 6.24E+05 2.38E+05 1.82E+05 5.24E+05 1.9E+05 4.05E+05 7.46E+05 6.29E+05 2.84E+05 2.85E+05 3.97E+05 7.66E+05 2.29E+05 2.51E+05 8.02E+05 4.29E+05 6.47E+05 5.12E+05 2.56E+05 1.18E+06 1.95E+06 5.27E+05 6.46E+05 4.91E+05 2.32E+05 4,8-Dihydroxyquinoline_2 3.07E+05 7.24E+04 5.94E+05 2.23E+04 1.92E+05 4.91E+05 2.03E+06 4.82E+04 1.49E+04 9.73E+05 2.31E+06 6.73E+05 4.89E+05 4.11E+05 7.2E+05 1.09E+06 1.25E+05 3.2E+05 9.09E+05 3.18E+05 2.23E+04 1.87E+06 1.99E+06 1.1E+06 5.35E+05 6.97E+04 1.85E+04 9.87E+04 2.03E+05 2.5E+06 3.97E+05 5.13E+05 3.49E+05 2.89E+05 3.41E+05 2.8E+06 3.47E+06 8.05E+04 2.17E+05 2.73E+05 5.17E+05 4.17E+06 2.09E+05 2.48E+05 6.16E+04 4.11E+05 2.31E+05 3.46E+06 5.93E+04 2.19E+06 3.77E+06 4-Acetamidobutanoate_1 4.15E+07 2.54E+06 9.71E+07 5.21E+06 7.56E+07 4.91E+07 8.55E+07 1.83E+07 6.99E+07 3.17E+06 1.88E+07 3.3E+07 5.45E+06 2.4E+06 3.67E+06 8.67E+07 1.87E+07 6.08E+07 8.29E+06 3.81E+07 2.03E+07 3.18E+06 2.18E+06 4.08E+06 8.33E+05 8.67E+06 1.6E+08 2.06E+07 4.1E+06 1.42E+07 3.34E+07 4.58E+06 4.05E+07 1.43E+07 4.83E+06 5.15E+07 5.86E+06 3.88E+06 3.32E+06 6.75E+07 2.73E+06 4.92E+06 7.82E+06 5.97E+06 1.32E+07 5.5E+06 7.02E+06 4.4E+07 2.86E+06 3.97E+06 1.45E+07 4-Acetamidobutanoate_2 2.22E+06 3.84E+06 1.04E+07 3.84E+06 4.82E+06 6.86E+06 2.96E+06 3.93E+06 5.1E+06 3.67E+06 1.95E+06 1.02E+07 4.66E+06 5.1E+06 2.77E+06 4.86E+06 3.82E+06 1.16E+06 3E+06 3.02E+06 2.96E+06 2.13E+06 1.95E+06 4.66E+06 1.67E+05 4.07E+06 3.74E+06 5.09E+06 4.02E+06 4.71E+06 3.88E+06 5.67E+05 2.15E+06 1.78E+06 1.88E+06 4.37E+06 6.02E+06 2.58E+06 2.55E+06 5.32E+06 8.9E+06 1.75E+06 2.4E+06 1.71E+06 2.72E+06 1.58E+06 2.82E+06 1.07E+06 2.81E+06 4.98E+06 6.22E+06 4-Acetamidobutanoate_3 3.91E+06 2.63E+06 3.85E+06 2.67E+06 3.83E+06 2.7E+06 2.87E+06 5.94E+06 4.18E+06 2.36E+06 3.22E+06 3.06E+06 4.22E+06 2.17E+06 2.46E+06 2.49E+06 3.94E+06 2.9E+06 3.5E+06 4.02E+06 2.91E+06 2.44E+06 3.55E+06 3.65E+06 4.09E+06 2.08E+06 3.66E+06 2.71E+06 1.63E+06 2.3E+06 2.86E+06 2.44E+06 2.36E+06 2.88E+06 3.2E+06 3.68E+06 3.3E+06 2.21E+06 2.01E+06 1.96E+06 2.48E+06 3.37E+06 2.61E+06 2.37E+06 3.06E+06 4.88E+06 3.07E+06 2.13E+06 2.82E+06 3.13E+06 3.54E+06 4-Acetamidobutanoate_4 1.38E+06 5.27E+05 3.1E+06 9.42E+05 2.07E+06 1.43E+06 3.06E+06 7.03E+05 2.08E+06 3.84E+05 8.46E+05 1.27E+06 5.68E+05 4.4E+05 6.67E+05 2.44E+06 1.19E+06 1.26E+06 6.51E+05 1.33E+06 8.47E+05 6.1E+05 4.26E+05 5.85E+05 3.44E+05 1.25E+06 4.08E+06 9.07E+05 3.47E+05 6.6E+05 1.2E+06 3.48E+05 1.04E+06 9.48E+05 4.82E+05 1.53E+06 2.93E+05 4.96E+05 6.62E+05 1.94E+06 4.36E+05 5.7E+05 4.67E+05 4.71E+05 7.07E+05 4.55E+05 7.25E+05 7.21E+05 7.98E+05 3.79E+05 9.21E+05 4-ACETAMIDOBUTANOATE 1.44E+06 2.45E+05 6.12E+05 1.84E+05 3.18E+05 3.63E+05 5.65E+05 2.27E+05 6.13E+05 3.8E+05 5.88E+05 4.51E+05 6.04E+05 1.81E+05 3.87E+05 3.95E+05 4.31E+05 3.21E+05 8.59E+05 2.76E+05 6.11E+05 1.98E+05 4.67E+05 6.61E+05 4.27E+05 3.49E+05 2.7E+05 2.75E+05 4.86E+05 4.69E+05 4.53E+05 3.87E+05 3.68E+05 4.99E+05 2.04E+05 1.03E+05 3.82E+05 4.15E+05 3.6E+05 2.85E+05 3.92E+05 1.11E+05 1.73E+05 4.01E+05 2.94E+05 4.11E+05 8.59E+05 3.25E+05 1.84E+05 6.99E+04 1.1E+06 4a-Hydroxytetrahydrobiopterin 1.14E+04 1.61E+03 3.75E+03 2.63E+03 1.11E+05 2.75E+03 1.01E+05 2.52E+04 2E+04 1.08E+04 1.35E+04 3.02E+03 1.12E+04 4.91E+03 6E+03 3.86E+03 7.96E+04 3.08E+05 2.34E+03 4.52E+04 2.15E+03 1.41E+03 1.83E+05 8.97E+03 1.83E+06 4.17E+03 6.69E+03 2.49E+03 1.58E+03 4.85E+03 8.12E+03 2.92E+04 5.81E+03 2.93E+03 1.32E+04 2.06E+03 1.65E+03 2.12E+04 4.85E+03 5.52E+03 2.68E+03 2.22E+04 2.92E+03 3.95E+03 0 9.55E+04 1.95E+04 1.02E+05 6.05E+04 1.74E+03 1.16E+03 4-Amino-1-piperidinecarboxylic acid 1.45E+06 5.64E+05 1.59E+06 7.92E+05 4.47E+05 2.14E+06 3.45E+06 8.87E+05 7.94E+05 5.43E+05 3.5E+05 6.12E+05 7.26E+05 4.05E+05 2.75E+05 6.3E+05 6.2E+05 1.29E+06 1.42E+06 4.96E+05 3.84E+06 1.28E+06 7.57E+05 3.5E+06 9.64E+04 4.1E+05 4.68E+05 6.56E+05 3.17E+05 2.47E+05 5.35E+05 2.54E+05 9.94E+05 3.07E+06 4.53E+05 3.81E+05 1.57E+06 1.91E+06 4.02E+05 4.61E+05 1.26E+05 4.56E+06 2.92E+06 4.98E+05 3.43E+06 3.05E+05 1.37E+05 4.49E+05 1.8E+06 4.46E+05 4.57E+06 4-Amino-2-hydroxylamino-6-nitrotoluene 7.01E+06 7.52E+06 5.41E+06 6.34E+06 5.43E+06 6.07E+06 5.19E+06 3.94E+06 5.74E+06 5.04E+06 5.77E+06 6.77E+06 3.77E+06 4.25E+06 3.05E+06 5.63E+06 7.14E+06 1.1E+06 8.71E+06 5.7E+06 8.64E+06 8.02E+06 2.74E+06 8.7E+06 3.64E+06 4.5E+06 5.05E+06 9.4E+06 5.17E+06 5.28E+06 4.63E+06 9.43E+05 1.32E+06 5.85E+06 5.73E+06 9.16E+06 7.36E+06 6.36E+06 4.22E+06 5.55E+06 3.64E+06 5.95E+06 4.88E+06 2.85E+06 7.92E+06 5.53E+06 4.91E+06 8.39E+05 5.19E+06 5.18E+06 1.09E+07 4-Aminobiphenyl 1.94E+06 1.16E+06 1.08E+06 9.22E+05 8.63E+05 9.37E+05 8.61E+05 1.01E+06 1.08E+06 1.26E+06 1.06E+06 1.2E+06 9.11E+05 1.08E+06 1.06E+06 1.63E+06 1.37E+06 1.1E+06 8.31E+05 9.36E+05 1.05E+06 2.23E+06 1.01E+06 1E+06 8.19E+05 9.36E+05 1E+06 1.03E+06 1.01E+06 1.02E+06 1.4E+06 1.08E+06 1.08E+06 1.21E+06 1.12E+06 1.17E+06 1.24E+06 1.53E+06 1.6E+06 1.01E+06 2.05E+06 1.04E+06 9.83E+05 1.14E+06 9.87E+05 1.36E+06 4.78E+06 1.24E+06 1.13E+06 1.59E+06 9.67E+05 4-AMINOBUTANOATE 3.44E+07 3.26E+07 6.3E+07 4.02E+07 3.6E+07 8.82E+07 4.71E+07 3.14E+07 6.99E+07 4.86E+07 2.54E+07 4.37E+07 4.68E+07 4.28E+07 5.54E+07 6.56E+07 4.69E+07 6.55E+07 4.19E+07 3.04E+07 4.79E+07 2.02E+07 6.53E+07 4.19E+07 2.29E+07 4.87E+07 4.78E+07 3.1E+07 3.18E+07 3.31E+07 5.05E+07 4.42E+07 5.94E+07 5.1E+07 5.67E+07 2.86E+07 2.91E+07 3.36E+07 6.18E+07 6.55E+07 2.68E+07 7.79E+07 3.99E+07 5.29E+07 3.46E+07 2.76E+07 2.19E+07 5.12E+07 6.36E+07 3.99E+07 6.3E+07 4-Aminobutyraldehyde_1 5.53E+06 4.4E+06 3.85E+06 4.15E+06 3.65E+06 3.76E+06 3E+06 4.99E+06 4.52E+06 3.2E+06 3.34E+06 2.73E+06 5.22E+06 3.93E+06 3.52E+06 3.8E+06 4.6E+06 2.13E+06 4.8E+06 4.06E+06 2.59E+06 2.55E+06 3.09E+06 4.09E+06 4.68E+06 4.44E+06 2.66E+06 4.59E+06 3.46E+06 4.49E+06 2.76E+06 3.1E+06 2.29E+06 2.56E+06 3.04E+06 6.06E+06 5.16E+06 3.02E+06 4.12E+06 4.84E+06 3.48E+06 3.44E+06 2.79E+06 3.48E+06 3.65E+06 2.2E+06 3.5E+06 5.04E+06 2.44E+06 2.83E+06 3.15E+06 4-Aminobutyraldehyde_2 2.91E+06 2.41E+06 2.02E+06 2.04E+06 1.77E+06 1.83E+06 2.24E+06 1.72E+06 1.94E+06 1.38E+06 1.43E+06 1.82E+06 1.9E+06 1.56E+06 9.51E+05 1.27E+06 1.61E+06 1.06E+06 1.94E+06 1.2E+06 1.83E+06 2.3E+06 8.28E+05 3.02E+06 1.25E+06 1.32E+06 2.25E+06 3.19E+06 1.82E+06 1.72E+06 2.02E+06 4.94E+05 1.01E+06 1.87E+06 1.98E+06 2.68E+06 2.72E+06 2.51E+06 2.64E+06 7.89E+05 1.01E+06 2.98E+06 2.71E+06 1.16E+06 1.96E+06 1.46E+06 9.56E+05 5.99E+05 1.22E+06 3.04E+06 2.25E+06 4-Carboxy-4-hydroxy-2-oxoadipate 4.49E+05 6.66E+05 4.05E+05 8.06E+05 7.92E+05 9.55E+05 6.23E+05 2.47E+05 8.69E+05 6.85E+05 5.23E+05 8.22E+05 1.24E+06 6.19E+05 6.58E+05 4.29E+05 8.14E+05 4.89E+05 5.66E+05 8.59E+05 2.7E+05 2.99E+05 5.57E+05 3.03E+05 4.2E+05 7.27E+05 6.92E+05 7.9E+05 4.35E+05 5.27E+05 1.23E+06 6.54E+05 2.67E+05 5.25E+05 9.9E+05 6.1E+05 3.03E+05 3.46E+05 7.65E+05 5.33E+05 6.19E+05 6.32E+05 2.37E+05 4.73E+05 2.47E+05 4.65E+05 1.12E+06 7.75E+05 3.92E+05 3.88E+05 4.12E+05 4-Chloroacetanilide 7.28E+03 0 2.7E+05 2.08E+03 2.28E+04 1.96E+04 4.27E+04 3.9E+04 5.03E+04 1.29E+05 1.61E+05 3.84E+03 6.2E+04 1.55E+05 7.26E+04 1.14E+05 8.76E+03 1.52E+04 3.26E+04 4.1E+04 1.27E+04 2.87E+04 6E+04 5.32E+04 9.01E+04 2.46E+03 5.78E+03 5.21E+03 2.56E+03 5.25E+05 5.21E+03 1.76E+04 6.16E+04 2E+04 1.12E+04 6.6E+03 3.92E+04 8.15E+04 0 4.53E+03 9.34E+04 4.22E+04 3.02E+04 5.65E+04 2.99E+04 8.8E+04 5.32E+04 4.47E+03 3.09E+04 3.93E+04 1.31E+04 4-Dodecylphenol_1 3.97E+06 1.6E+06 8.4E+05 4.15E+05 1.11E+06 1.72E+05 1.22E+06 3.2E+05 1.53E+06 1.55E+06 3.99E+05 9.28E+05 4.88E+05 7.93E+05 9.32E+05 4.35E+05 6.59E+05 1.46E+06 4.93E+05 2.43E+05 1.05E+06 9.2E+06 4.13E+05 1.33E+06 2.2E+05 5.77E+05 1.32E+06 9.11E+05 1.64E+06 9.76E+05 3.24E+06 1.78E+05 9.48E+05 4E+06 6.29E+05 2.3E+06 1.2E+06 3.16E+06 3.7E+06 2.73E+05 8.89E+05 2.4E+06 8.37E+05 5.59E+05 2.36E+06 1.13E+06 1.05E+07 1.07E+06 6.65E+05 2.64E+06 6.64E+05 4-Dodecylphenol_2 5.83E+05 3.16E+05 4.14E+05 2.35E+05 4.49E+05 1.6E+05 6.33E+04 7.23E+04 2.22E+05 5.19E+05 1.41E+05 6.1E+05 8.19E+04 5.28E+05 6.55E+04 3.54E+05 5.65E+05 3.98E+05 1.65E+05 2.33E+05 5.21E+05 7.53E+05 1.36E+05 1.58E+05 1.78E+05 4.52E+05 3.53E+05 3.59E+05 2.25E+05 5.2E+05 6.2E+05 4.56E+05 4.1E+05 9.6E+05 2.41E+05 4.82E+05 2.97E+05 1.59E+06 1.26E+06 1.41E+05 6.94E+05 3.07E+05 4.4E+05 2.02E+05 2.57E+05 1.23E+06 1.75E+06 4.45E+05 3.52E+05 5.83E+05 3.19E+05 4-Fluorocyclohexadiene-cis,cis-1,2-diol 5.72E+06 5.86E+06 8.66E+06 6.08E+06 5.33E+06 5.01E+06 6.09E+06 3.86E+06 5.32E+06 5.43E+06 5.43E+06 6.64E+06 4.14E+06 5.67E+06 6.04E+06 4.83E+06 5.37E+06 8.42E+06 5.32E+06 5.76E+06 5.14E+06 4.58E+06 7.1E+06 4.93E+06 4.38E+06 4.57E+06 5.03E+06 5.33E+06 5.22E+06 5.04E+06 5.25E+06 5.3E+06 7.62E+06 5.95E+06 4.32E+06 5.15E+06 4.74E+06 4.19E+06 6.28E+06 6.62E+06 5.53E+06 6.64E+06 4.4E+06 5.92E+06 4.39E+06 4.33E+06 5.32E+06 5.09E+06 5.36E+06 4.51E+06 7.13E+06 4-Fluoro-L-threonine 0 1.9E+03 0 2.12E+03 0 1.94E+03 0 0 2.28E+03 0 1.81E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2.08E+03 0 0 2.96E+03 0 2.05E+03 0 0 3.51E+03 0 0 0 1.76E+03 2.36E+03 0 0 0 0 0 0 0 4-Guanidinobutanal 6.51E+07 5.16E+07 3.91E+07 5.96E+07 3.6E+07 4.22E+07 6.33E+07 3.22E+07 5.66E+07 2.99E+07 4.27E+07 6.44E+07 2.52E+07 2.6E+07 2.08E+07 4.22E+07 4.69E+07 2.25E+07 6.76E+07 3.64E+07 5.03E+07 7.59E+07 3E+07 6.01E+07 2.67E+07 3.25E+07 4.1E+07 6.36E+07 4.03E+07 3.43E+07 3.6E+07 1.64E+07 2.26E+07 4.21E+07 3.2E+07 3.61E+07 4.9E+07 5.62E+07 2.31E+07 1.98E+07 3.2E+07 5.49E+07 3.99E+07 2.75E+07 6.75E+07 2.95E+07 3.88E+07 2.3E+07 5.32E+07 3.06E+07 6.67E+07 4-Guanidinobutanoate 7.21E+06 4.97E+06 5.6E+06 5.57E+06 8.11E+06 6.4E+06 4.72E+06 6.77E+06 5.61E+06 6.5E+06 4.78E+06 5.01E+06 5.64E+06 6.73E+06 5.66E+06 5.13E+06 7.81E+06 1.06E+07 5.34E+06 5.15E+06 6.93E+06 5.16E+06 7.44E+06 4.92E+06 9.93E+06 5.58E+06 6.54E+06 5.42E+06 5.85E+06 5.56E+06 6.38E+06 1.17E+07 7.94E+06 5.38E+06 6.42E+06 6.44E+06 6.1E+06 6.44E+06 8.26E+06 7.24E+06 6.99E+06 5.52E+06 4.15E+06 7.15E+06 5.06E+06 5.71E+06 8.2E+06 1.45E+07 6.08E+06 5.05E+06 5.94E+06 4-GUANIDINOBUTANOATE 4.42E+06 1.05E+06 8.33E+06 2.85E+06 4.84E+06 2.93E+06 2.38E+06 3.53E+06 6.38E+06 7.05E+06 1.1E+07 2.04E+06 1.14E+06 3.59E+06 4.04E+06 1.14E+07 6.72E+06 3.86E+06 4.36E+06 7.1E+06 3.15E+06 5.78E+06 7.2E+06 2.98E+06 7.05E+06 4.11E+06 3.12E+06 1.36E+06 7.38E+06 4.69E+06 2.14E+06 2.68E+06 4.46E+06 2.87E+06 5.35E+06 3.5E+06 5.4E+06 4.47E+06 7.68E+06 7.73E+06 5.18E+06 1.72E+06 2.49E+06 2.17E+06 7.3E+06 7.48E+06 5.42E+06 6.33E+06 3.89E+06 3.76E+06 6.51E+06 4-Hexyloxyphenol 5.08E+05 5.69E+05 6.58E+05 3.03E+05 3.33E+05 3.56E+05 6.46E+05 3.64E+05 7.21E+05 5.71E+05 3.58E+05 3.2E+05 3.56E+05 9.74E+05 9.08E+05 1.09E+06 6.35E+05 5.5E+05 3.62E+05 3.89E+05 5.97E+05 3.34E+06 3.45E+05 5.21E+05 2.62E+05 2.22E+05 4.04E+05 9.05E+05 5.84E+05 3.93E+05 7.67E+05 2.44E+05 6.7E+05 5.63E+05 5.76E+05 5.16E+05 7.15E+05 5.11E+05 7.43E+05 2.64E+05 4.25E+05 5.7E+05 3.55E+05 1.48E+05 8.16E+05 7.11E+05 1.13E+06 3.83E+05 9.59E+05 2.96E+06 4.6E+05 4-Hydroxy-2-butynal_1 4.82E+07 5.11E+07 3.81E+07 3.97E+07 3.57E+07 5.19E+07 5.43E+07 3.37E+07 3.58E+07 3.13E+07 4.81E+07 3.66E+07 3.05E+07 4.85E+07 5.39E+07 3.82E+07 4.63E+07 3.09E+07 2.87E+07 4.69E+07 3.17E+07 3.75E+07 2.92E+07 4.15E+07 4.44E+07 6.87E+07 4.31E+07 4.21E+07 4.72E+07 4.04E+07 4.44E+07 5.08E+07 3.34E+07 4.22E+07 4.54E+07 4.79E+07 4.66E+07 6.19E+07 5.51E+07 4.55E+07 3.92E+07 5.2E+07 3.18E+07 4.55E+07 3.48E+07 4.98E+07 4.59E+07 3.27E+07 4.42E+07 3.39E+07 4.53E+07 4-Hydroxy-2-butynal_2 4.35E+06 4.82E+06 3.36E+06 3.7E+06 3.17E+06 3.82E+06 5.26E+06 3.62E+06 3E+06 2.44E+06 3.76E+06 4.32E+06 4.06E+06 3.11E+06 3.71E+06 3.78E+06 4.66E+06 2.21E+06 4.15E+06 2.67E+06 3.94E+06 5.72E+06 2.42E+06 4.35E+06 2.94E+06 2.77E+06 3.71E+06 5.91E+06 3.03E+06 3.72E+06 3.8E+06 1.94E+06 3.42E+06 4.11E+06 3.76E+06 3.7E+06 5.06E+06 6E+06 3.47E+06 2.52E+06 2.51E+06 5.44E+06 4.3E+06 3.11E+06 5.74E+06 4.53E+06 3.17E+06 2.61E+06 4.76E+06 3.81E+06 4.53E+06 4-Hydroxy-2-quinolinecarboxylic acid 5.87E+05 4.15E+05 5.8E+05 2.12E+05 6.4E+05 4.18E+05 5.21E+05 4.85E+05 5.02E+05 2.75E+05 2.6E+05 4.98E+05 4.52E+05 5.74E+05 8.63E+05 6.39E+05 4.41E+05 4.93E+05 3.49E+05 8.54E+05 3.82E+05 4.9E+05 1.15E+06 1.74E+05 2.67E+05 5.17E+05 1.89E+06 4.23E+05 4.74E+05 7.52E+05 4.81E+05 3.09E+05 4.51E+05 5.2E+05 4.07E+05 5.51E+05 3.07E+05 2.57E+05 5.77E+05 2.52E+06 5.44E+05 6.68E+05 4.91E+05 5.46E+05 4.06E+05 4.63E+05 7.86E+05 5.28E+05 5.31E+05 3.78E+05 7.62E+05 4-Hydroxybutanoic acid_1 4.62E+06 3.05E+06 3.78E+06 1.06E+06 1.02E+06 1.23E+06 8.24E+06 3.02E+06 1.16E+06 1.39E+06 5.09E+05 6.43E+05 2.71E+07 1.9E+06 1.22E+06 8.84E+05 7.69E+05 3.57E+06 7.98E+05 8.13E+05 7.67E+05 2.72E+06 8.22E+05 4.84E+06 6.32E+05 1.12E+06 2.68E+06 7.35E+05 8.72E+05 7.52E+05 3.54E+06 1.32E+06 4.3E+06 3.94E+06 3.31E+06 2.56E+06 3.03E+06 2.64E+06 3.85E+06 1.53E+06 5.14E+05 1.24E+07 1.16E+06 9.34E+05 3.05E+06 8.27E+05 1.06E+06 7.82E+05 1.77E+06 7.71E+05 2.71E+06 4-Hydroxybutanoic acid_2 5.05E+05 3.58E+05 1.17E+05 2.45E+05 1.53E+05 7.46E+05 3.9E+05 2.23E+04 2.76E+05 1.57E+05 6.49E+05 2.47E+05 4.03E+05 3.92E+05 4.51E+05 3.11E+05 4.66E+05 6.78E+04 1.48E+05 6.2E+05 2.56E+05 4.49E+05 3.34E+05 3.18E+05 1.64E+06 4.32E+05 2.8E+05 1.26E+05 4.44E+05 3.71E+05 3.39E+05 5.74E+05 3.6E+05 1.98E+05 1.07E+06 4.36E+05 3.96E+05 6.12E+05 1.46E+05 4.03E+05 1.09E+06 4.56E+05 1.99E+05 5.7E+05 3.97E+05 7.31E+05 6.06E+05 4.13E+05 5.04E+05 2.15E+05 3.41E+05 4-HYDROXY-L-PHENYLGLYCINE 1.14E+06 1E+06 4.15E+05 9.61E+05 9.62E+05 1.33E+06 1.43E+06 6.79E+05 9.24E+05 5.55E+05 1.05E+06 5.35E+05 5.03E+05 1.01E+06 1.09E+06 6.26E+05 1.11E+06 4.53E+05 4.5E+05 1.21E+06 4.98E+05 7.64E+05 5.19E+05 6.75E+05 1.15E+06 1.99E+06 1.02E+06 9.56E+05 1.44E+06 8.53E+05 1.14E+06 2.46E+06 1.48E+05 7.88E+05 6.45E+05 1.02E+06 9.73E+05 1.82E+06 1.23E+06 1.01E+06 7.99E+05 8.41E+05 6.1E+05 5.68E+05 6.39E+05 1.32E+06 6.73E+05 4.09E+05 6.94E+05 6.61E+05 1.07E+06 4-Hydroxyphenylacetate 3.06E+05 2.02E+05 4.66E+04 2.13E+05 3.2E+05 4.74E+05 2.26E+05 2.38E+05 2.3E+05 1.66E+05 1.56E+05 1.56E+05 9.7E+04 1.09E+05 2.42E+05 2.57E+05 5.03E+05 1.56E+05 2.33E+05 4.55E+05 1.93E+05 1.38E+05 3.73E+05 3.82E+05 1.79E+05 4.45E+05 2.08E+05 1.56E+05 2.16E+05 1.57E+05 1.21E+05 2.92E+05 3.51E+05 1.78E+05 4.82E+05 5.03E+05 3.21E+05 4.01E+05 4.69E+05 3.46E+05 1.54E+05 4.22E+05 2.17E+05 2.05E+05 4.85E+05 2.22E+05 1.96E+05 2.17E+05 4.85E+05 1.22E+05 2.65E+05 4-IMIDAZOLEACETIC ACID 9.77E+05 5.63E+05 1.04E+06 8.18E+05 1.16E+06 8.1E+05 8.21E+05 5.2E+05 9.61E+05 1.13E+06 1.89E+06 7.25E+05 6.84E+05 5.42E+05 5.78E+05 9.04E+05 1.23E+06 1.16E+06 9.45E+05 7.62E+05 1.52E+06 9.97E+05 1.51E+06 2.19E+06 2.86E+06 6.56E+05 1.12E+06 9.07E+05 1.11E+06 8.79E+05 4.73E+05 9.22E+05 7.02E+05 7.77E+05 5.82E+05 9.69E+05 2.42E+06 1.18E+06 8.39E+05 1.64E+06 6.94E+05 8.19E+05 7.19E+05 6.13E+05 8.91E+05 2.96E+06 2.62E+06 8.39E+05 9.29E+05 5.18E+05 2.3E+06 4-Imidazolone-5-propanoate 1.94E+06 1.7E+06 9.26E+05 1.55E+06 1.49E+06 6.72E+06 2.8E+06 5.74E+05 1.5E+06 1.46E+06 4.2E+06 1.56E+06 4.43E+06 2.52E+06 9.6E+05 1.37E+06 1.87E+06 8.28E+05 1.66E+06 8.12E+05 3.23E+06 2.89E+06 7.1E+06 3.45E+06 3.76E+06 2.82E+06 8.77E+05 1.01E+06 3.22E+06 2.8E+06 1.42E+06 2.01E+06 8.27E+05 1.03E+06 1.53E+06 1.02E+06 3.44E+06 1.65E+06 1.16E+06 3.7E+06 1.48E+06 1.33E+06 1.69E+06 1.26E+06 2.38E+06 4.07E+06 5.2E+06 1.24E+06 1.37E+06 1.22E+06 4.5E+06 4-Maleylacetoacetate 3.08E+06 1.57E+06 2.04E+06 1.77E+06 2.98E+06 2.46E+06 2.67E+06 1.05E+06 6.13E+05 1.83E+06 3.11E+06 2.39E+06 2.54E+06 5.5E+06 3.74E+06 2.51E+06 3.38E+06 1.58E+06 2.19E+06 2.95E+06 1.36E+06 3.15E+06 2.49E+06 1.56E+06 2.78E+06 2.37E+06 1.63E+06 1.52E+06 2.74E+06 7.41E+06 3.94E+06 2.48E+06 1.65E+06 1.19E+06 4.09E+06 1.98E+06 1.29E+06 2.26E+06 2.87E+06 2.44E+06 4.85E+06 2.2E+06 1.36E+06 2.2E+06 2.53E+06 1.73E+06 3.06E+06 1.77E+06 2.44E+06 1.59E+06 3.52E+06 4-Methyl-2-oxopentanoate 2E+06 1.82E+06 1.96E+06 1.95E+06 1.67E+06 1.87E+06 2.25E+06 1.45E+06 1.65E+06 2.04E+06 1.7E+06 1.79E+06 2.04E+06 2.37E+06 1.86E+06 1.8E+06 1.96E+06 1.78E+06 1.61E+06 1.71E+06 6.39E+05 1.83E+06 1.83E+06 1.52E+06 2.22E+06 1.65E+06 1.7E+06 1.47E+06 1.75E+06 2.45E+06 2.02E+06 2.09E+06 1.24E+06 1.59E+06 1.66E+06 1.23E+06 1.36E+06 1.12E+06 1.25E+06 1.66E+06 1.78E+06 1.55E+06 1.21E+06 1.4E+06 1.58E+06 1.87E+06 2.03E+06 1.87E+06 1.65E+06 1.38E+06 2.45E+06 4-Methylene-L-glutamate 1.28E+05 1.96E+05 4.29E+05 1.58E+05 1.56E+05 2.81E+05 4.32E+05 7.44E+05 2.29E+05 3.58E+05 7.93E+05 1.27E+05 4.07E+05 4.22E+05 8.05E+05 6.41E+05 3.42E+05 5.56E+05 3.44E+05 3.04E+05 2.25E+05 4.04E+04 8.24E+05 1.02E+05 6.43E+05 2.51E+05 3.52E+05 9.6E+04 3.39E+05 5.84E+05 3.51E+05 1.14E+06 7.03E+05 7.7E+04 3.71E+05 2.59E+05 1.56E+05 1.55E+05 2.87E+05 3.09E+05 1.75E+05 5.73E+04 1.84E+05 7.21E+05 1.55E+05 5.89E+05 4.15E+05 5.62E+05 1.29E+05 2.44E+05 2.23E+05 4-Methylene-L-glutamine_1 1.05E+07 8.42E+06 8.54E+06 7.62E+06 8.41E+06 1.08E+07 7.59E+06 5.37E+06 1.31E+07 3.63E+06 9.42E+06 9.52E+06 9.45E+06 5.36E+06 5.6E+06 8.64E+06 7.4E+06 8.67E+06 5.48E+06 5.48E+06 7.88E+06 6.75E+06 7.75E+06 7.42E+06 7.22E+06 5.8E+06 5.74E+06 7.87E+06 8.81E+06 7.54E+06 4.86E+06 5.08E+06 7.46E+06 7.79E+06 4.71E+06 5.83E+06 5.51E+06 4.17E+06 6.63E+06 6.4E+06 5.41E+06 6.54E+06 5.43E+06 8.34E+06 8.64E+06 4.79E+06 1.08E+07 6.7E+06 6.94E+06 5E+06 1.13E+07 4-Methylene-L-glutamine_2 2.62E+06 4.46E+06 8.33E+06 3.57E+06 5.06E+06 4.89E+06 6.69E+06 1.14E+07 4.11E+06 5.13E+06 1.43E+07 2.51E+06 1.11E+07 8.27E+06 1.13E+07 8.73E+06 6.42E+06 1.04E+07 3.79E+06 3.76E+06 2.38E+06 2.61E+06 1.04E+07 2.28E+06 1.04E+07 3.88E+06 5.19E+06 3.33E+06 4.34E+06 1.16E+07 6.28E+06 9.95E+06 1.54E+07 3.27E+06 5.56E+06 6.18E+06 2.19E+06 2.03E+06 5.53E+06 3.32E+06 9.94E+06 2.18E+06 2.22E+06 9.4E+06 2.29E+06 8.69E+06 8.64E+06 1.16E+07 1.92E+06 4.8E+06 2.37E+06 4-Methylene-L-glutamine_3 6.61E+05 5.87E+05 2.6E+05 4.62E+05 2.91E+05 2.48E+05 1.03E+06 4.77E+05 3.35E+05 2.68E+05 6.74E+05 2.67E+05 3.51E+05 2.01E+05 2.22E+05 3.99E+05 2.7E+05 3.33E+05 4.49E+05 5.34E+05 5.9E+05 1.06E+06 1.09E+05 8.58E+05 1.44E+04 4.34E+05 3.45E+05 3.44E+05 2.32E+05 3.22E+05 3.92E+05 1.8E+05 3E+05 3.64E+05 4.01E+05 4.73E+05 5.28E+05 5.69E+05 4.33E+05 4.3E+05 2.85E+05 8.29E+05 8.66E+05 3.71E+05 1.05E+06 3.69E+05 1.98E+05 1.55E+05 2.31E+05 4.43E+05 7.73E+05 4-Oxoproline_1 6.42E+07 7.1E+07 6.63E+07 5.12E+07 5.77E+07 6.6E+07 6.94E+07 4.4E+07 5.99E+07 4.2E+07 7.66E+07 6.81E+07 6.18E+07 6.5E+07 5.86E+07 5.95E+07 6.63E+07 5.68E+07 5.05E+07 5.3E+07 4.79E+07 5.45E+07 6.11E+07 5.16E+07 7.46E+07 6.58E+07 5.73E+07 4.74E+07 6.47E+07 5.77E+07 6.34E+07 5.11E+07 6.16E+07 6E+07 5.44E+07 5.25E+07 5.38E+07 4.5E+07 6.8E+07 6.45E+07 5.54E+07 6.43E+07 4.82E+07 5.96E+07 5.61E+07 5.52E+07 7.97E+07 5.96E+07 5.6E+07 5.59E+07 7.61E+07 4-Oxoproline_2 3.29E+06 1.43E+06 1.32E+07 1.9E+06 6.61E+06 4.26E+06 9.32E+06 8E+06 8.54E+06 5.64E+06 9.31E+06 1.74E+06 8.57E+06 7.52E+06 4.36E+06 9.92E+06 4E+06 4.83E+06 4.06E+06 4.75E+06 3.98E+06 2.54E+06 7.19E+06 2.33E+06 7.55E+05 2.74E+06 6.38E+06 1.93E+06 1.22E+06 1.08E+07 1.71E+06 2.65E+06 6.86E+06 3.58E+06 3.47E+06 2.61E+06 2.68E+06 2.79E+06 2.62E+06 3.81E+06 8.99E+06 2.52E+06 6.38E+06 6.87E+06 1.8E+06 6.72E+06 5.5E+06 3.11E+06 4.72E+06 5.1E+06 3.46E+06 4-Pyridoxate 2.81E+05 3.72E+05 3E+05 3.7E+05 7.74E+04 2.55E+05 2.96E+05 2.76E+05 1.75E+05 5.75E+05 2.97E+05 3.36E+05 2.25E+05 7.67E+04 4.46E+05 1.69E+05 8.48E+04 1.5E+05 2.24E+05 2.18E+05 1.71E+05 1.13E+05 1.07E+05 2.35E+05 1.16E+05 1.38E+06 1.04E+05 3.6E+05 2.98E+05 2.74E+05 1.57E+05 2.46E+05 2.06E+05 1.25E+05 1.66E+04 5.82E+05 2.24E+05 2.59E+05 1.57E+05 2.45E+05 1.37E+05 2.62E+05 2.27E+05 9.41E+04 2.46E+05 1.39E+05 5.48E+05 1.52E+05 5.58E+04 1.2E+05 3.24E+05 4-Vinylcyclohexene_1 1.11E+06 1.12E+06 1.09E+06 1.16E+06 1.05E+06 1.17E+06 1.15E+06 1.2E+06 1.13E+06 1.06E+06 1.12E+06 1.16E+06 1.08E+06 1.28E+06 1.12E+06 1.11E+06 1.19E+06 1.2E+06 1.17E+06 1.17E+06 1.1E+06 1.06E+06 1.16E+06 1.2E+06 1.13E+06 1.09E+06 1.14E+06 1.04E+06 1.06E+06 1.2E+06 1.15E+06 1.19E+06 1.19E+06 1.1E+06 1.13E+06 1.17E+06 1.2E+06 1.11E+06 1.15E+06 1.15E+06 1.16E+06 1.19E+06 1.16E+06 1.2E+06 1.17E+06 1.09E+06 1.23E+06 1.17E+06 1.15E+06 1.1E+06 1.22E+06 4-Vinylcyclohexene_2 1.76E+05 2.44E+05 2.41E+05 2.29E+05 2.57E+05 2.93E+05 1.33E+05 2.39E+05 1.96E+05 2.81E+05 2.66E+05 8.75E+04 2.46E+05 3.23E+05 1.68E+05 2.2E+05 2.35E+05 2.36E+05 3.64E+05 2.92E+05 1.54E+05 1.2E+05 2.34E+05 8.62E+04 3.27E+05 2.15E+05 3.56E+05 1.67E+05 1.6E+05 1.89E+05 3.38E+05 2.34E+05 2.87E+05 3.28E+05 2.26E+05 2.72E+05 3.18E+05 2.56E+05 2.89E+05 2.5E+05 3.02E+05 2.25E+05 3.06E+05 3.19E+05 4.29E+05 3.59E+05 1.69E+05 4.08E+05 2.68E+05 2.54E+05 3.34E+05 4-Vinylcyclohexene_3 2.7E+05 2.34E+05 2.11E+05 1.34E+05 2.27E+05 1.06E+05 1.69E+05 2.25E+05 1.87E+05 2.09E+05 1.57E+05 2.53E+05 2.58E+05 4.01E+05 2.13E+05 1.98E+05 1.39E+05 2.58E+05 1.37E+05 1.68E+05 1.84E+05 4.22E+05 3.28E+05 1.55E+05 1.38E+05 1.42E+05 1.07E+05 1.54E+05 3.22E+05 1.75E+05 1.02E+05 1.33E+05 2.23E+05 2.36E+05 2.51E+05 1.52E+05 3.97E+04 1.2E+05 3.68E+05 2.01E+05 1.85E+05 1.48E+05 2.34E+05 3.07E+05 2.32E+05 3.06E+05 1.82E+05 2.58E+05 2.9E+05 2.87E+05 1.88E+05 5-(2-Hydroxyethyl)-4-methylthiazole_1 0 0 0 0 0 0 0 0 0 0 0 0 1.21E+03 6.14E+03 0 3.1E+06 0 0 619 0 0 0 0 0 0 0 0 0 0 8.33E+03 2.46E+03 0 1.24E+04 1.41E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.95E+03 5-(2-Hydroxyethyl)-4-methylthiazole_2 5.51E+03 0 0 1.92E+03 0 0 0 1.88E+03 0 0 0 0 3.5E+03 5.65E+03 0 1.5E+07 0 0 1.24E+03 1.54E+03 0 0 0 0 1.49E+03 0 0 1.62E+05 2.14E+03 8.33E+03 2.46E+03 0 1.95E+06 1.08E+05 0 0 2E+03 0 0 0 0 1.58E+03 0 0 0 0 1.91E+03 0 0 0 1.95E+03 5,6-Dihydrothymine_1 3.57E+07 3.28E+07 3.37E+07 3.06E+07 2.95E+07 5.4E+07 2.75E+07 1.23E+07 2.52E+07 2.7E+07 4.07E+07 7.16E+07 2.43E+07 2.67E+07 1.82E+07 2.31E+07 3.57E+07 3.29E+07 3.68E+07 1.73E+07 5.45E+07 2.99E+07 4.42E+07 4.7E+07 3.51E+07 2.76E+07 2.8E+07 1.9E+07 3.59E+07 2.81E+07 3.05E+07 3.51E+07 3.22E+07 1.77E+07 4.74E+07 2.04E+07 5.2E+07 2.78E+07 2.28E+07 5.38E+07 5.67E+07 2.33E+07 2.04E+07 1.7E+07 2.88E+07 4.53E+07 3.9E+07 6.5E+07 2.41E+07 2.51E+07 6.15E+07 5,6-Dihydrothymine_2 7.72E+06 5.85E+06 8.07E+06 6.04E+06 4.81E+06 6.53E+06 5.12E+06 3.91E+06 4.29E+06 4.34E+06 4.91E+06 6.45E+06 5.61E+06 5.88E+06 5.65E+06 3.59E+06 4.09E+06 7.1E+06 6.73E+06 5.83E+06 4.79E+06 4.8E+06 5.74E+06 4.89E+06 4.16E+06 4.77E+06 4.92E+06 5.75E+06 5.53E+06 4.44E+06 6E+06 6.5E+06 7.93E+06 7.49E+06 4.91E+06 5.19E+06 4.82E+06 5.02E+06 7.27E+06 5.63E+06 5.6E+06 8.24E+06 4.49E+06 5.97E+06 5.46E+06 4.05E+06 5.95E+06 5.68E+06 4.05E+06 4.32E+06 6.75E+06 5,6-Dihydrothymine_3 1.92E+06 2.21E+06 2.75E+06 1.43E+06 1.59E+06 2E+06 2.19E+06 1.36E+06 2.34E+06 1.12E+06 1.58E+06 2.01E+06 1.21E+06 1.86E+06 1.56E+06 2.46E+06 2.21E+06 9.81E+05 1.76E+06 1.22E+06 2.21E+06 1.69E+06 1.72E+06 1.33E+06 7E+05 1.54E+06 2E+06 9.51E+05 1.65E+06 2.79E+06 1.84E+06 4.19E+05 1.5E+06 1.97E+06 1.26E+06 9.14E+05 1.13E+06 1.24E+06 1.47E+06 1.27E+06 1.55E+06 1.51E+06 1.61E+06 1.42E+06 1.61E+06 1.24E+06 1.75E+06 7.6E+05 1.57E+06 1.87E+06 2.8E+06 5,6-DIHYDROURACIL 5.87E+06 5.95E+06 7.52E+06 3.9E+06 4.96E+06 5.8E+06 5.38E+06 4.59E+06 5.01E+06 4E+06 5.04E+06 6.57E+06 5.29E+06 6.13E+06 6.74E+06 4.68E+06 4.68E+06 7.14E+06 6.32E+06 7.5E+06 4.72E+06 4.51E+06 5.6E+06 3.93E+06 4.08E+06 5.95E+06 5.34E+06 5.94E+06 6.87E+06 4.55E+06 5.3E+06 6.39E+06 8.15E+06 7.04E+06 5.63E+06 5.72E+06 3.53E+06 4.09E+06 6.39E+06 6.79E+06 5.83E+06 8.35E+06 5.76E+06 7.28E+06 5.22E+06 4.33E+06 5.2E+06 6.17E+06 6.21E+06 5.21E+06 5.48E+06 5,6-Dihydrouracil 7.95E+06 2.79E+06 1.48E+06 8E+05 4.19E+05 3.83E+06 1.9E+06 6.03E+05 2.66E+06 5.76E+05 6.13E+06 8.66E+05 1.18E+06 5.97E+06 3.11E+06 1.56E+06 6.13E+05 1.51E+06 9.2E+05 2.5E+06 5.06E+05 5.13E+06 1.55E+06 8.09E+05 1.02E+07 2.96E+05 2.01E+05 6.47E+06 6.09E+05 9.31E+06 9.09E+06 9.23E+05 2.53E+06 3.19E+06 4.28E+06 5.13E+06 6.88E+05 3.59E+06 1.72E+06 7.41E+05 4.93E+06 1.16E+06 1.35E+06 2.32E+06 5.51E+06 5E+05 2.93E+06 9.33E+05 2.05E+06 2.43E+06 1.09E+07 5-Acetamidopentanoate_1 1.05E+07 8.65E+06 1.25E+07 7.4E+06 9.3E+06 7.75E+06 7.86E+06 7.86E+06 1.02E+07 8.11E+06 1.08E+07 1.06E+07 6.85E+06 9.29E+06 1.16E+07 1E+07 9.51E+06 1.41E+07 6.53E+06 7.92E+06 7.04E+06 5.4E+06 7.68E+06 6.91E+06 1.01E+07 6.15E+06 7.86E+06 8.42E+06 6.95E+06 8.82E+06 8.68E+06 9.29E+06 1.13E+07 7.79E+06 6.04E+06 9.15E+06 7.12E+06 5.95E+06 7.84E+06 7.2E+06 8.76E+06 7.92E+06 4.44E+06 1.03E+07 5.17E+06 6.66E+06 1.01E+07 1.22E+07 8.11E+06 6.3E+06 1.01E+07 5-Acetamidopentanoate_2 3.92E+06 3.94E+06 5.5E+06 3.64E+06 7.63E+06 2.65E+06 3.93E+06 1.07E+07 5.95E+06 4.1E+06 7.51E+06 3.47E+06 8.27E+06 3.68E+06 5.23E+06 4.77E+06 6.89E+06 5.83E+06 4.85E+06 5.33E+06 4.11E+06 3.7E+06 5.84E+06 4.66E+06 8.01E+06 2.31E+06 5.64E+06 3.75E+06 1.9E+06 4.95E+06 3.66E+06 4.47E+06 4.52E+06 3.89E+06 3.49E+06 4.84E+06 3.1E+06 3.19E+06 2.9E+06 2.03E+06 4.79E+06 4.56E+06 3.2E+06 4.64E+06 3.82E+06 7.83E+06 8.08E+06 3.83E+06 3.15E+06 4.43E+06 3.24E+06 5-Acetamidopentanoate_3 5.01E+06 2.61E+06 3.54E+06 1.08E+06 3.56E+06 2.82E+06 6.66E+06 5E+06 1.85E+06 2.66E+06 1.71E+06 1.21E+06 1.55E+07 2.73E+06 7.05E+06 2.23E+06 3.47E+06 2.84E+06 1.39E+06 2.16E+06 1.69E+06 9.25E+05 3.71E+06 1.95E+06 2.18E+06 3.07E+06 2.07E+06 7.27E+05 1.7E+06 3.11E+06 2.61E+06 5.07E+06 6.03E+06 4.56E+06 4.63E+06 3.03E+06 2.24E+06 1.78E+06 6.26E+06 3.09E+06 2.48E+06 8.31E+06 2.23E+06 3.42E+06 6.78E+05 3.13E+06 1.74E+06 2.23E+06 2.13E+06 1.55E+06 3.13E+06 5-Acetamidopentanoate_4 5.11E+06 4.08E+05 2.89E+06 3.18E+06 1.83E+06 2.58E+06 4.26E+06 1.45E+06 2.03E+06 4.03E+06 3.46E+06 5.17E+06 7.53E+05 1.25E+06 6.13E+05 1.29E+06 2.27E+06 7.81E+05 4.43E+06 1.94E+06 4.74E+06 2.98E+06 4.12E+05 3.58E+06 1.62E+06 4.18E+06 6.05E+05 4.33E+06 2.05E+06 1.53E+06 1.33E+06 1.31E+06 7.17E+05 1.72E+06 9.41E+05 3.16E+06 4.59E+06 3.25E+06 1.29E+06 2.81E+06 2.53E+06 1.97E+06 5.31E+06 7.28E+05 3.44E+06 1.49E+06 5.42E+06 2.11E+06 1.91E+06 2.03E+06 4.27E+06 5-Acetamidopentanoate_5 2.55E+06 1.31E+06 1.61E+06 8.98E+05 1.04E+06 1.47E+06 1.43E+06 7.11E+05 1.07E+06 7.32E+05 5.03E+05 9.58E+05 1.69E+06 1.87E+06 7.39E+05 6.12E+05 1.45E+06 3.58E+05 1.11E+06 1.18E+06 8.12E+05 8.88E+05 5.18E+05 1.87E+06 3.76E+05 9.35E+05 1.01E+06 7.63E+05 6.96E+05 2.32E+06 1.63E+06 3.98E+05 3.14E+05 1.6E+06 1.99E+06 1.48E+06 1.42E+06 7.52E+05 1.33E+06 1.1E+06 6.59E+05 3.28E+06 8.52E+05 4.29E+05 1.28E+06 6.46E+05 5.8E+05 3.32E+05 7.87E+05 9.53E+05 2.36E+06 5-Acetamidopentanoate_6 8.72E+05 1.2E+04 4.21E+05 1.32E+06 1.42E+05 3.38E+05 3.3E+05 2.18E+04 6.09E+05 3.81E+05 3.57E+05 5.11E+05 9.87E+04 2.28E+04 6.8E+04 2.57E+05 5.28E+05 1.85E+05 6.68E+05 3.22E+05 4.26E+05 2.69E+05 2.81E+04 9.68E+05 8.04E+04 1.43E+05 4.4E+05 8.22E+05 3.33E+05 2.1E+05 5.73E+05 4.97E+04 1.66E+05 3.51E+05 1.14E+06 4.65E+05 4.12E+05 3.54E+05 9.08E+05 3.59E+05 1.26E+05 1.62E+04 2.88E+05 1.76E+04 7.94E+04 1.8E+05 4.73E+05 1.29E+05 2.02E+05 4.14E+05 1.33E+06 5-Acetamidopentanoate_7 2.19E+06 5.79E+04 1.65E+05 5.31E+04 2.88E+04 2.04E+06 1.43E+05 7.39E+03 1.34E+04 2.25E+04 2.12E+05 4.8E+06 1.05E+05 1.33E+04 3.35E+04 2.28E+04 3.44E+04 7.89E+04 5.42E+05 7.25E+04 1.09E+05 8.17E+05 5.52E+04 6.95E+05 9.46E+04 4.15E+04 1.1E+05 1.72E+05 3.69E+05 3.59E+05 1.22E+04 9.04E+04 3.73E+04 3.51E+04 1.52E+04 1.66E+04 9.09E+04 1.35E+04 3.09E+04 2.61E+06 3.01E+04 1.26E+05 4.43E+04 2.14E+04 3.56E+05 8.36E+04 2.62E+05 5.51E+05 4.78E+04 4.04E+04 1E+06 5-Aminolevulinate_1 9.25E+07 1.26E+08 2.67E+08 1.47E+08 1.6E+08 1.48E+08 1.32E+08 1.71E+08 1.71E+08 1.59E+08 6.12E+07 1.21E+08 1.21E+08 1.59E+08 1.04E+08 1.78E+08 1.33E+08 2.24E+07 1.51E+08 1.05E+08 1.02E+08 6.44E+07 6.41E+07 6.3E+07 7.21E+06 1.29E+08 1.85E+08 1.83E+08 1.67E+08 1.86E+08 1.71E+08 2.51E+07 5.04E+07 9.68E+07 9.4E+07 1.65E+08 6.35E+07 7.57E+07 2.07E+08 1.88E+08 9.58E+07 7.7E+07 1.06E+08 9.54E+07 5.56E+07 6.08E+07 5.79E+07 8.93E+06 1.07E+08 1.96E+08 1.61E+08 5-Aminolevulinate_2 3.61E+07 2.7E+07 5.8E+07 2.06E+07 9.97E+06 4.05E+07 5.44E+07 1.66E+07 1.62E+07 2.6E+07 1.08E+07 2.29E+07 2.27E+07 2.26E+07 2.35E+07 3.6E+07 2.1E+07 7.82E+06 4.18E+07 2.8E+07 3.76E+07 2.58E+07 1.15E+07 2.19E+07 1.36E+07 1.72E+07 1.44E+07 1.65E+07 2.17E+07 1.68E+07 2.26E+07 6.33E+06 6.71E+06 2.99E+07 8.77E+06 3.8E+07 2.17E+07 1.55E+07 1.75E+07 2.15E+07 1.28E+07 2.17E+07 4.11E+07 1.05E+07 2.09E+07 7.98E+06 1.02E+07 6.56E+05 6.26E+06 3.4E+07 5.64E+07 5-Aminolevulinate_3 9.58E+05 7.32E+05 1.01E+07 8.15E+05 7.15E+05 1.01E+06 1.12E+07 8.02E+05 4.77E+05 9.26E+05 7.17E+05 6.66E+05 1.28E+06 5.34E+05 3.26E+05 6.84E+05 1.02E+06 5.89E+05 1.23E+06 7.81E+05 7.29E+05 3.5E+04 6.85E+05 1.07E+05 3.57E+05 7.54E+06 4.45E+05 8.06E+05 1.13E+06 8.64E+06 9.54E+05 5.57E+05 6.35E+05 6.71E+05 7.35E+05 6.85E+05 6.18E+05 6.19E+05 7.83E+05 7.56E+05 5.56E+05 8.19E+05 7.18E+05 6.76E+05 5.98E+05 6.32E+05 7.79E+05 4.4E+05 7.62E+05 7.58E+06 1.3E+06 5-Aminolevulinate_4 2.75E+05 5.7E+05 9.67E+05 4.99E+05 2.87E+05 4.98E+05 9.45E+05 7.59E+05 9.46E+05 2.31E+05 8.73E+05 3.53E+05 5.52E+05 5.67E+05 3.64E+05 9.04E+05 9.84E+05 1.62E+05 1.02E+06 5.44E+05 4.7E+05 3.88E+05 7.19E+05 5.57E+05 1.1E+06 5.35E+05 9.62E+05 5.22E+05 4.5E+05 4.42E+05 9.29E+05 6.9E+05 9.45E+04 1.74E+05 7.22E+05 8.91E+05 2.01E+05 1E+05 9.56E+05 8.14E+05 1.2E+05 6.82E+04 1.8E+05 5.91E+04 2.68E+05 1.41E+06 8.12E+05 3.81E+04 9.27E+04 4.22E+05 1.11E+05 5-AMINOLEVULINIC ACID 9.72E+06 6.49E+06 7.6E+06 4.18E+06 4.9E+06 8.76E+06 5.68E+06 6.16E+06 7.29E+06 4.76E+06 8.47E+06 4.36E+06 5.19E+06 5.49E+06 8.76E+06 1E+07 5.03E+06 8.65E+06 2.52E+06 1.44E+07 4.34E+06 3.51E+06 1.22E+07 2.69E+06 1.34E+07 9.96E+06 1.54E+06 3.29E+06 6.02E+06 5.2E+06 3.49E+06 6.61E+06 4.94E+06 5.6E+06 6.09E+06 3.21E+06 9.68E+06 4.04E+06 1.09E+07 8.02E+06 4.31E+06 4.32E+06 4.83E+06 4.98E+06 4.04E+06 3.88E+06 7.01E+06 4.5E+06 6.26E+06 3.94E+06 7.02E+06 5-AMINOPENTANOATE 1.59E+09 1.44E+09 1.54E+09 1.3E+09 1.25E+09 1.4E+09 1.63E+09 1.05E+09 1.35E+09 1.27E+09 1.3E+09 1.61E+09 1.28E+09 1.45E+09 1.53E+09 1.28E+09 1.37E+09 1.52E+09 1.22E+09 1.55E+09 1.1E+09 9.44E+08 1.65E+09 1.2E+09 1.17E+09 1.38E+09 1.53E+09 1.24E+09 1.26E+09 1.32E+09 1.37E+09 1.35E+09 1.37E+09 1.58E+09 1.39E+09 1.38E+09 1.23E+09 1.09E+09 1.69E+09 1.54E+09 1.29E+09 1.6E+09 1.27E+09 1.68E+09 1.02E+09 1.14E+09 1.17E+09 1.49E+09 1.31E+09 1.36E+09 1.57E+09 5beta-Scymnol sulfate 4.89E+05 4.13E+04 2.53E+04 4.05E+04 3.29E+04 3.56E+04 4.97E+03 0 4.33E+04 7.6E+03 9.18E+04 3.04E+04 0 7.85E+04 2.21E+03 1.71E+05 1.2E+05 2.57E+04 3.15E+03 1.35E+04 4.67E+04 2.89E+05 1.21E+04 4.08E+03 5.7E+04 4.36E+03 5.59E+03 9.6E+03 3.9E+04 5.99E+04 1.04E+05 2.14E+03 3.27E+03 9.1E+04 2.29E+04 6.73E+04 1.69E+04 2.98E+04 2.62E+05 5.34E+03 2.29E+05 8.48E+03 8.56E+03 2.89E+03 2.35E+04 4.04E+04 1.68E+06 4.41E+04 6.01E+04 8.21E+04 9.52E+04 5-exo-Hydroxy-1,2-campholide 2.54E+05 1.66E+05 3E+05 1.62E+05 3.29E+05 1.92E+05 2.11E+05 2.98E+05 2.77E+05 3.06E+05 3.77E+05 2.15E+05 2.29E+05 2.09E+05 2.53E+05 2.67E+05 2.29E+05 2.71E+05 1.67E+05 3.73E+05 2.05E+05 2.22E+05 1.68E+05 1.06E+05 2.67E+05 2.14E+05 2.51E+05 1.87E+05 2.37E+05 8.54E+04 2.09E+05 1.9E+05 2.27E+05 2.42E+05 3.37E+05 3.01E+05 2.2E+05 2.19E+05 2.43E+05 2.17E+05 1.89E+05 2E+05 1.43E+05 9.76E+04 2.1E+05 2.77E+05 2.76E+05 2.93E+05 2.22E+05 2.32E+05 1.82E+05 5-Guanidino-3-methyl-2-oxopentanoate 7.21E+06 3.56E+06 2.14E+06 2.58E+06 1.56E+06 3E+06 8.82E+06 2.73E+06 2.25E+06 1.24E+06 3.63E+06 2.92E+06 2.73E+06 1.74E+06 1.85E+06 1.99E+06 1.97E+06 2.11E+06 3.91E+06 1.56E+06 7.45E+06 8.95E+06 1.88E+06 7.46E+06 2.1E+06 1.26E+06 1.59E+06 2.66E+06 1.39E+06 1.98E+06 1.96E+06 8.11E+05 1.97E+06 5.8E+06 1.47E+06 1.76E+06 6.8E+06 5.31E+06 1.08E+06 1.07E+06 2.54E+06 8.48E+06 6.14E+06 2.01E+06 9.08E+06 1.61E+06 2.6E+06 2.2E+06 3.77E+06 1.81E+06 8.9E+06 5-Hydroxyindoleacetate 1.77E+06 1.62E+06 1.76E+06 1.24E+06 1.14E+06 1.4E+06 1.22E+06 7.98E+05 1.41E+06 1.08E+06 9.44E+05 1.67E+06 1.12E+06 1.36E+06 1.39E+06 1.31E+06 1.03E+06 1.56E+06 1.32E+06 1.73E+06 1.31E+06 1.38E+06 2.21E+06 1.28E+06 9.59E+05 1.48E+06 1.33E+06 1.34E+06 1.46E+06 8.44E+05 1.58E+06 1.69E+06 1.32E+06 1.21E+06 1.5E+06 1.21E+06 1.31E+06 8.06E+05 1.41E+06 2.09E+06 8.85E+05 1.42E+06 1.19E+06 1.46E+06 1.3E+06 9.57E+05 1.43E+06 1.34E+06 1.27E+06 1.3E+06 2.17E+06 5-Hydroxyindoleacetylglycine 7.25E+04 1.71E+05 9.86E+05 2E+05 2.49E+05 4.09E+05 7.85E+05 7.59E+05 1.97E+05 5.35E+05 2.09E+06 1.04E+05 5.44E+05 9.44E+05 2.76E+06 7.9E+05 2.55E+05 1.97E+06 1.48E+05 2.71E+05 8.36E+04 2.44E+04 3.66E+06 6.02E+04 1.63E+06 2.45E+05 2.51E+05 1.07E+05 2.96E+05 1.65E+06 3.12E+05 1.59E+06 3.65E+06 2.02E+05 1.95E+05 2.04E+05 4.19E+04 6.17E+04 1.87E+05 2.6E+05 3.17E+06 9.75E+04 3.9E+05 2.31E+06 2.3E+04 9.51E+05 5.91E+05 1.51E+06 7.08E+04 2.71E+05 5.87E+04 5-Hydroxyisourate_1 9.91E+05 8.69E+05 6.72E+05 1.04E+06 1.19E+06 1.44E+06 9.01E+05 6.06E+05 1.16E+06 1.09E+06 7.7E+05 1.17E+06 1.26E+06 1.04E+06 1.12E+06 8.5E+05 1.15E+06 8.17E+05 1.12E+06 1.42E+06 9.14E+05 6.96E+05 1.32E+06 6.49E+05 8.43E+05 1.35E+06 1.11E+06 1.17E+06 8.37E+05 1.07E+06 1.38E+06 1.52E+06 9.15E+05 1.33E+06 1.83E+06 1.2E+06 8.53E+05 8.67E+05 1.47E+06 1.19E+06 1.18E+06 1.47E+06 7.68E+05 1.3E+06 6.47E+05 8.97E+05 1.03E+06 1.36E+06 1.22E+06 8.05E+05 1.16E+06 5-Hydroxyisourate_2 2.87E+03 1.02E+04 1.92E+03 1.52E+03 1.17E+03 2.53E+03 3.18E+03 2.55E+03 2.01E+03 1.91E+03 1.84E+03 3.66E+03 2.28E+03 2.08E+03 4.1E+03 2.47E+03 2.18E+03 3.12E+03 3.1E+03 1.78E+03 861 904 5.57E+03 1.08E+03 1.94E+03 1.67E+03 2.09E+03 3.64E+03 1.73E+03 2.13E+03 3.72E+03 4.66E+03 2.28E+03 1.15E+03 2.04E+03 2.61E+03 1.88E+03 1.07E+03 1.87E+03 2.29E+03 1.92E+03 4.34E+03 5.68E+03 2.04E+03 3.1E+03 2.3E+03 2.08E+03 1.89E+03 3.82E+03 2.11E+03 6.25E+03 5-Hydroxy-L-tryptophan_1 5.74E+06 1.03E+07 2.09E+07 9.02E+06 6.89E+06 6.67E+06 1.45E+07 7.35E+06 9.44E+06 8.91E+06 1.9E+07 9.38E+06 6.42E+06 1.37E+07 1.27E+07 1.21E+07 5.07E+06 7.4E+06 8.45E+06 6.76E+06 5.35E+06 6.39E+06 1.25E+07 7.69E+06 5.65E+06 6.13E+06 1.15E+07 1.02E+07 1.08E+07 1.62E+07 1.44E+07 4.8E+06 1.3E+07 6.62E+06 3.93E+06 7.46E+06 5.96E+06 5.85E+06 3.66E+06 8.9E+06 1.72E+07 5.09E+06 7.84E+06 1.2E+07 4.76E+06 1.15E+07 1.02E+07 4.82E+06 6.67E+06 1.51E+07 8.17E+06 5-Hydroxy-L-tryptophan_2 5.8E+06 1.13E+07 1.03E+07 1.23E+07 4.88E+06 6.07E+06 9.59E+06 6.11E+06 7.42E+06 6.79E+06 6.21E+06 1.01E+07 3.72E+06 7.02E+06 6.57E+06 5.03E+06 3.82E+06 6.45E+06 6.84E+06 4.99E+06 5.63E+06 6.82E+06 7.13E+06 7.47E+06 4.79E+06 5.56E+06 6.36E+06 1.16E+07 7.62E+06 5.51E+06 8.88E+06 3.87E+06 5.37E+06 6.8E+06 4.91E+06 6.59E+06 5.84E+06 5.19E+06 3.46E+06 6.03E+06 5.36E+06 5.76E+06 6.69E+06 5.7E+06 5.72E+06 4.48E+06 6.26E+06 3.08E+06 4.54E+06 8.92E+06 9.35E+06 5-Hydroxy-L-tryptophan_3 3.22E+06 5.42E+06 1.06E+07 5.45E+06 3.49E+06 3.73E+06 9.17E+06 4.22E+06 4.77E+06 4.42E+06 8.7E+06 5.25E+06 2.69E+06 6.35E+06 5.12E+06 6.2E+06 2.56E+06 3.4E+06 5.58E+06 3.88E+06 3.81E+06 4.24E+06 4.8E+06 5.63E+06 2.39E+06 3.46E+06 5.57E+06 6.25E+06 5.63E+06 8.75E+06 6.62E+06 1.74E+06 5.11E+06 4.44E+06 2.35E+06 4.32E+06 4.22E+06 4.06E+06 1.76E+06 4.73E+06 7.88E+06 3.33E+06 5.84E+06 4.96E+06 3.73E+06 5.5E+06 4.29E+06 1.76E+06 5.57E+06 8.31E+06 5E+06 5-Hydroxy-L-tryptophan_4 0 0 0 0 0 0 0 0 1.34E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.15E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.46E+03 0 0 5'-Methylthioadenosine 2.92E+03 0 0 0 0 0 1.82E+03 0 0 0 0 0 0 4.77E+03 0 0 0 0 0 0 0 1.85E+03 0 0 0 0 0 0 1.7E+03 1.03E+04 4.22E+03 0 0 0 1.64E+03 0 0 0 0 0 0 0 0 1.62E+03 0 1.52E+03 0 1.58E+03 0 0 4.01E+03 5-Methylthio-D-ribose 1.48E+06 1.7E+06 1.73E+06 1.25E+06 1.33E+06 1.99E+06 1.33E+06 6.91E+05 1.01E+06 1.26E+06 1.23E+06 1.38E+06 1.4E+06 1.79E+06 1.53E+06 9.07E+05 1.33E+06 1.33E+06 1.13E+06 1.05E+06 1.06E+06 1.05E+06 2.08E+06 9.4E+05 1.05E+06 1.15E+06 9.48E+05 1E+06 1.71E+06 1.4E+06 1.11E+06 1.53E+06 1.47E+06 9.13E+05 9.71E+05 1.03E+06 9.21E+05 9.43E+05 1.15E+06 1.62E+06 1.12E+06 9.8E+05 8.8E+05 1.02E+06 8.49E+05 1.12E+06 1.23E+06 1.19E+06 9.18E+05 1.01E+06 1.7E+06 5-O-Methyl-myo-inositol 9.9E+07 4.76E+05 3.5E+07 6.67E+06 4.92E+07 1E+08 5.66E+07 1.88E+04 4.6E+06 8.94E+06 2.06E+07 1.32E+07 2.7E+08 6.53E+07 2.59E+05 1.07E+05 1.64E+06 9.42E+05 3.02E+07 5.42E+06 7.34E+07 8.86E+07 7.95E+07 3.97E+08 2.51E+08 2.73E+06 4.43E+05 1.96E+07 5.75E+07 8.26E+06 1.35E+08 1.61E+08 6.64E+07 1.44E+08 5.82E+07 8.69E+06 2.36E+08 3.51E+06 1.43E+07 5.47E+07 1.09E+07 3.35E+05 3.18E+06 2.65E+07 4.93E+07 3.79E+06 2.41E+07 1.03E+07 4.52E+05 1.22E+08 1.68E+07 5-Oxoavermectin ''1a'' aglycone 5.52E+05 6.42E+04 1.51E+05 7.34E+04 1.01E+05 7.62E+04 9.23E+04 1.03E+04 1.6E+05 2.84E+05 2.55E+05 1.91E+05 2.76E+04 2.46E+05 8.76E+04 3.95E+05 1.92E+05 8.54E+04 6.1E+04 1.44E+05 3.46E+05 7.49E+05 8.48E+04 3.75E+04 1.44E+05 9.02E+04 1.15E+05 8.02E+04 1.77E+05 2E+05 2.52E+05 1.66E+05 1.65E+05 2.21E+05 8.7E+04 2.61E+05 1.79E+05 4.58E+05 2.58E+05 5.84E+04 6.97E+05 7.85E+04 1.14E+04 3.15E+04 2.08E+05 4.52E+05 1.67E+06 1.9E+05 1.48E+05 5.74E+05 8.65E+04 5-OXO-L-PROLINE 7.17E+07 4.88E+07 6.44E+07 5.39E+07 5.32E+07 6.36E+07 6.26E+07 4.56E+07 4.31E+07 5.17E+07 9.64E+07 5.68E+07 6.11E+07 1.02E+08 7.07E+07 5.82E+07 6.33E+07 7.06E+07 5.06E+07 4.47E+07 3.91E+07 6.17E+07 7.01E+07 5.72E+07 7.33E+07 5.48E+07 5.03E+07 4.1E+07 5.46E+07 1.21E+08 9.4E+07 6.17E+07 7.13E+07 4.85E+07 7.27E+07 4.15E+07 5.37E+07 4.88E+07 4.88E+07 4.27E+07 8.27E+07 5.37E+07 4.63E+07 6.28E+07 5.76E+07 6.66E+07 7.87E+07 5.81E+07 4.32E+07 4.79E+07 7.21E+07 5-Ureido-4-imidazole carboxylate 1.14E+06 4.46E+05 2.16E+06 1.56E+05 7.57E+05 1.69E+06 6.3E+06 9.65E+04 1.58E+05 3.03E+06 6.61E+06 2.34E+06 1.68E+06 1.53E+06 2.67E+06 3.27E+06 4.58E+05 1.08E+06 2.88E+06 1.11E+06 1.47E+05 5.21E+06 5.8E+06 3.33E+06 1.77E+06 2.77E+05 1.13E+05 3.97E+05 7.15E+05 6.1E+06 1.42E+06 1.67E+06 1.09E+06 8.35E+05 8.58E+05 6.17E+06 6.65E+06 2.07E+05 6.67E+05 7.47E+05 1.55E+06 7.1E+06 6.28E+05 7.32E+05 2.08E+05 1.07E+06 9.98E+05 6.44E+06 1.46E+05 5.08E+06 9.2E+06 5-Valerolactone_1 1.84E+06 1.44E+06 7.17E+05 3E+06 1.16E+06 1.94E+06 1.93E+06 1.8E+06 1.43E+06 1.53E+06 4.75E+06 6.77E+05 1.97E+06 2.21E+06 1.25E+06 8.33E+05 3.23E+06 1.21E+06 1.33E+06 1.61E+06 1.19E+06 1.35E+06 1.22E+06 1.48E+06 3.75E+06 1.39E+06 1.84E+06 2.49E+06 1.53E+06 5.58E+06 2.69E+06 1.25E+06 1.77E+06 1.51E+06 2.74E+06 2.63E+06 2.45E+06 4.78E+06 3.61E+06 1.8E+06 1.76E+06 1.87E+06 1.52E+06 4.27E+06 1.81E+06 1.69E+06 4.14E+06 2.11E+06 2.11E+06 1.67E+06 2.41E+06 5-Valerolactone_2 1.92E+06 4.55E+05 1.39E+06 1.98E+06 2.25E+06 1.79E+06 4.11E+05 6.37E+05 1.43E+06 1.01E+06 1.45E+06 1.28E+06 1.51E+06 1.21E+06 1.22E+06 7.55E+06 1.21E+06 3.74E+06 7.78E+05 4.65E+05 1.87E+06 1.64E+06 2.33E+06 1.33E+06 1.62E+06 1.04E+06 1.93E+06 4.41E+05 1.42E+06 1.6E+06 1.85E+06 1.4E+06 1.78E+06 1.11E+06 2.74E+06 3.37E+05 1.34E+06 5.16E+05 1.3E+06 1.75E+06 1.14E+06 5.84E+05 5.69E+05 1.32E+06 1.64E+06 8.25E+05 1.15E+06 8.28E+05 2.27E+06 4.89E+05 1.53E+06 5-Valerolactone_3 5.12E+05 9.65E+05 3.68E+05 7.87E+05 3.63E+05 6.64E+05 1.14E+05 4.84E+05 4.01E+05 3.91E+04 1.28E+06 4.32E+05 2.32E+06 8.65E+05 7.69E+05 4.24E+05 7.46E+05 4.73E+05 6.09E+05 7.56E+05 7.75E+05 6.07E+05 8.92E+05 1.96E+05 9.92E+05 9.93E+05 6.74E+05 2.39E+05 1.23E+06 1.1E+06 3.05E+05 7.67E+05 2.64E+05 1.04E+06 1.28E+06 6.24E+05 1.08E+06 2.18E+05 2.51E+05 5.2E+05 4.5E+06 4.3E+05 2.92E+05 1.4E+05 2.74E+05 8.77E+05 5.14E+05 7.56E+05 6.15E+05 8.88E+05 1.41E+06 6-DEOXY-L-GALACTOSE 1.01E+08 1.17E+08 6.34E+07 6.46E+07 7.6E+07 7.84E+07 7.77E+07 4.42E+07 7.8E+07 5.42E+07 7.92E+07 8.88E+07 7.01E+07 9.43E+07 6.6E+07 7.82E+07 8.04E+07 5.1E+07 8.71E+07 7.87E+07 6.2E+07 5.96E+07 7.36E+07 6.03E+07 7.9E+07 6.53E+07 7.16E+07 7.91E+07 6.44E+07 7.19E+07 6.89E+07 1.02E+08 5.02E+07 8.73E+07 7.38E+07 7.56E+07 6.15E+07 4.93E+07 8.26E+07 8.04E+07 7.4E+07 9.01E+07 5.25E+07 6.99E+07 4.8E+07 6.4E+07 1.01E+08 7.76E+07 7.58E+07 9.27E+07 8.8E+07 6-endo-Hydroxycineole_1 3.95E+06 5.74E+06 5.47E+06 5.4E+06 5.66E+06 5.73E+06 4.85E+06 5.91E+06 5.99E+06 5.98E+06 5.5E+06 5.99E+06 5.82E+06 5.86E+06 5.94E+06 6E+06 6.01E+06 5.9E+06 5.97E+06 5.79E+06 5.88E+06 5.78E+06 5.96E+06 5.97E+06 5.75E+06 5.91E+06 5.67E+06 5.9E+06 5.75E+06 5.79E+06 5.81E+06 5.77E+06 5.55E+06 5.73E+06 5.99E+06 5.55E+06 5.61E+06 5.58E+06 5.81E+06 5.83E+06 5.53E+06 5.77E+06 5.8E+06 5.79E+06 5.97E+06 5.79E+06 4.13E+06 5.77E+06 5.94E+06 5.88E+06 4.99E+06 6-endo-Hydroxycineole_2 9.63E+05 7.89E+05 8.24E+05 7.84E+05 8.23E+05 8.23E+05 1.03E+06 8.5E+05 8.67E+05 8.22E+05 7.73E+05 9.12E+05 8.45E+05 8.04E+05 8.34E+05 8.01E+05 8.96E+05 7.75E+05 8.87E+05 8.16E+05 9.34E+05 8.19E+05 8.31E+05 8.28E+05 9.16E+05 8.6E+05 1.12E+06 8.4E+05 8.25E+05 8.93E+05 8.65E+05 8.41E+05 8.49E+05 7.91E+05 8.27E+05 7.69E+05 9.85E+05 8.14E+05 8.26E+05 8.05E+05 8.38E+05 1.35E+06 8.22E+05 8.89E+05 7.86E+05 7.93E+05 1.36E+06 7.95E+05 8.72E+05 1.21E+06 9.52E+05 6-Hydroxyprotopine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.57E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6-Hydroxypseudooxynicotine 1.3E+03 7.85E+05 1.32E+03 1.34E+03 1.38E+03 1.6E+03 1.41E+03 0 0 0 0 1.26E+03 1.39E+03 1.36E+03 0 0 0 1.5E+03 0 1.41E+03 0 0 1.18E+03 1.09E+03 0 1.14E+03 1.22E+03 0 1.13E+03 0 1.5E+03 0 0 0 1.05E+03 0 0 0 1.49E+03 0 1.61E+03 1.89E+03 0 0 0 1.48E+03 1.75E+03 0 0 0 715 6-Methoxymellein 1.59E+04 1.06E+04 3.65E+04 1.06E+04 9.31E+04 3.56E+05 1.79E+05 8.29E+04 3.92E+04 9.38E+04 1.16E+05 2.31E+05 6.87E+05 4.22E+05 1.73E+05 4.35E+04 3.16E+03 1.5E+04 1.03E+05 4.15E+04 3.63E+03 2.94E+05 1.57E+05 1.26E+06 9.51E+04 1.34E+04 1.19E+05 1.73E+05 5.76E+04 8.69E+04 9.16E+05 2.96E+05 4.75E+04 2.24E+05 6.76E+05 5.04E+05 1.27E+06 2.16E+03 4.47E+04 2.53E+04 1.54E+05 6.31E+04 1.32E+04 4.6E+05 3.22E+06 5.99E+04 4.48E+04 4.08E+05 1.47E+04 1.21E+06 7.71E+04 6-Methylmercaptopurine 4.19E+05 7.49E+04 6.22E+04 1.38E+05 6.49E+04 4.15E+05 1.08E+05 9.02E+03 1.74E+04 1.14E+05 6.5E+04 4.54E+04 3.11E+05 2.07E+06 4.69E+05 7.38E+04 2.28E+05 3.72E+04 1.38E+04 2.61E+04 1.01E+05 2.92E+05 4.12E+05 2.32E+05 1.67E+05 1.19E+05 4.78E+04 2.57E+04 8.76E+04 2.84E+06 1.02E+06 1.06E+05 3.53E+04 1.51E+04 8.4E+05 1.17E+04 1.35E+05 1.34E+05 1E+05 2.04E+05 4.23E+05 5.54E+04 9.06E+04 2.51E+05 5.92E+05 1.48E+05 1.25E+05 7E+04 8.94E+04 2.7E+04 9.2E+05 7-Dehydrodesmosterol 9.57E+05 2.72E+05 2.1E+07 1.67E+05 1.06E+05 3.16E+05 4.6E+04 1.29E+04 1.41E+05 2.49E+05 1.87E+05 1.34E+05 1.02E+04 1.84E+05 2.97E+04 1.85E+05 2.22E+05 1.12E+05 1.87E+05 8.15E+04 3.67E+05 1.13E+06 1.97E+05 2.56E+05 2.42E+05 1.38E+05 1.12E+05 1.1E+05 2.4E+05 1.42E+05 1.94E+05 7.84E+05 1.42E+05 3.4E+05 1.27E+05 9.08E+04 5.64E+05 5.9E+05 4.4E+05 2.21E+05 2.79E+05 1.58E+05 1.97E+05 1.4E+05 3.4E+05 7.88E+05 3.45E+06 1.25E+05 1.79E+05 4.06E+05 3.43E+05 8-Amino-7-oxononanoate_1 4.54E+06 1.92E+06 3.36E+06 1.28E+06 2.2E+06 2.86E+06 5.88E+06 3.89E+06 1.77E+06 2.08E+06 4.87E+05 1.12E+06 1.61E+07 1.74E+06 5.49E+06 1.84E+06 1.6E+06 3.15E+06 1.12E+06 2.28E+06 1.28E+06 8.76E+05 3.44E+06 2.62E+06 1.24E+06 1.76E+06 1.7E+06 6.14E+05 1.17E+06 2.57E+06 2.09E+06 2.29E+06 5.09E+06 4.69E+06 2.99E+06 1.65E+06 2.6E+06 1.01E+06 4.02E+06 1.98E+06 1.87E+06 7.6E+06 2.05E+06 1.78E+06 8.69E+05 1.56E+06 1.23E+06 2.81E+06 1.66E+06 1.37E+06 2.87E+06 8-Amino-7-oxononanoate_2 1.12E+06 8.91E+05 9.87E+05 9.92E+05 8.86E+05 8.42E+05 9.72E+05 8.55E+05 7.8E+05 7.96E+05 9.8E+05 8.66E+05 9.92E+05 8.82E+05 8.25E+05 8.18E+05 8.61E+05 8.36E+05 7.24E+05 7.61E+05 7.36E+05 7.94E+05 8.1E+05 7.42E+05 7.94E+05 7.23E+05 7.53E+05 7.47E+05 7.81E+05 7.79E+05 7.78E+05 8.01E+05 8.37E+05 8.61E+05 6.13E+05 6.45E+05 7.83E+05 8.4E+05 6.89E+05 7.97E+05 7.78E+05 7.78E+05 6.82E+05 7.85E+05 7.19E+05 7.37E+05 1.11E+06 7.84E+05 7.86E+05 6.53E+05 1.1E+06 8-Amino-7-oxononanoate_3 4.37E+05 1.69E+05 4.57E+05 1.82E+05 3.41E+05 2E+05 2.86E+05 2.77E+05 2.69E+05 8.07E+05 5.33E+05 1.59E+05 2.86E+05 8.35E+05 3.83E+05 4.45E+05 3.77E+05 2.7E+05 2.26E+05 4.46E+05 2.89E+05 2.46E+05 2.64E+05 1.67E+05 3.1E+05 2.2E+05 2.5E+05 1.21E+05 2.67E+05 1.12E+06 3.48E+05 2.46E+05 4.79E+05 2.38E+05 3.37E+05 2.84E+05 2.5E+05 2.95E+05 2.07E+05 2.39E+05 2.3E+05 2.11E+05 3.59E+05 2.17E+05 5.73E+05 3.14E+05 2.8E+05 3.97E+05 2.34E+05 3.05E+05 6.32E+05 8-Hydroxyalanylclavam 4.93E+03 0 0 0 0 0 0 0 5.58E+04 0 1.82E+03 0 0 3.46E+03 0 0 0 0 0 5.14E+03 0 0 2.57E+04 0 1.9E+04 0 0 0 0 2.74E+03 2.32E+03 0 0 0 5.53E+03 0 0 0 0 0 2.81E+03 0 0 0 0 1.35E+05 0 0 0 0 0 9,12,13-TriHOME_1 4E+06 3.87E+06 3.87E+06 3.99E+06 3.76E+06 3.98E+06 3.72E+06 3.69E+06 3.85E+06 3.69E+06 3.9E+06 3.89E+06 3.69E+06 3.71E+06 3.86E+06 3.61E+06 3.7E+06 3.64E+06 3.56E+06 3.64E+06 3.6E+06 3.58E+06 3.62E+06 3.55E+06 3.71E+06 3.52E+06 3.47E+06 3.56E+06 3.51E+06 3.48E+06 3.62E+06 3.52E+06 3.42E+06 3.62E+06 3.24E+06 3.46E+06 3.45E+06 2.26E+06 3.13E+06 3.32E+06 3.41E+06 3.18E+06 2.02E+06 3.25E+06 3.29E+06 3.33E+06 3.96E+06 3.34E+06 3.37E+06 3.38E+06 3.96E+06 9,12,13-TriHOME_2 3.09E+06 3.03E+06 3.14E+06 3.05E+06 2.95E+06 3.06E+06 2.92E+06 2.89E+06 2.9E+06 2.96E+06 2.94E+06 3.04E+06 3E+06 2.72E+06 3.01E+06 2.8E+06 2.82E+06 2.83E+06 2.71E+06 2.88E+06 2.79E+06 2.83E+06 2.78E+06 2.69E+06 2.76E+06 2.83E+06 2.66E+06 2.7E+06 2.65E+06 2.73E+06 2.71E+06 2.69E+06 2.68E+06 2.75E+06 2.5E+06 2.66E+06 2.69E+06 2.57E+06 2.45E+06 2.67E+06 2.49E+06 2.45E+06 2.62E+06 2.59E+06 2.47E+06 2.33E+06 3.02E+06 2.58E+06 2.57E+06 2.6E+06 3.19E+06 9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione 7.23E+06 2.34E+06 9.97E+05 1.21E+06 1.27E+06 4.59E+05 2.13E+06 3.63E+05 1.66E+06 1.63E+06 7.43E+05 1.19E+06 7.02E+05 7.68E+05 1.09E+06 1.03E+06 5.01E+05 9.57E+05 1.19E+05 1.9E+05 6.5E+05 3.04E+06 3.35E+05 7.42E+05 9.5E+04 3.09E+05 6.32E+05 4.48E+05 7.84E+05 4.61E+05 1.48E+06 2.25E+05 4.29E+05 1.31E+06 2.34E+05 7.45E+05 4.71E+05 1.04E+06 9.97E+05 1.13E+05 2.87E+05 6.32E+05 2.98E+05 2.22E+05 6.87E+05 3.9E+05 1.6E+07 1.67E+05 2.27E+05 7.37E+05 1.27E+06 9-Oxononanoic acid 3.08E+03 2.55E+03 2.8E+03 2.67E+03 2.97E+03 2.95E+03 5.39E+03 3.01E+03 2.8E+03 4.63E+03 2.86E+03 2.34E+03 3.5E+03 6.69E+03 3.23E+03 2.65E+03 4.71E+03 5.04E+03 2.09E+03 2.57E+03 3.8E+03 3.04E+03 3.04E+03 3.01E+03 3.14E+03 6.98E+03 2.73E+03 2.75E+03 4.69E+03 1.5E+03 3.02E+03 1.73E+03 2.62E+03 7.75E+03 1.43E+03 2.37E+03 4.06E+03 2.69E+03 2.82E+03 2.74E+03 4E+03 3.13E+03 1.32E+03 2.88E+03 7.99E+03 3.12E+03 1.66E+03 2.83E+03 3.41E+03 1.14E+03 4.37E+03 Abietate 1.16E+06 1.66E+05 4.56E+05 9.57E+04 6.75E+04 2.43E+05 1.05E+05 1.37E+04 1.65E+05 3.7E+05 1.18E+05 3.29E+05 1.8E+05 2.16E+05 8.79E+04 1.58E+05 1.78E+05 1.53E+05 6.42E+04 1.29E+05 2.1E+05 9.99E+05 2.79E+05 2.15E+05 6.88E+04 1.12E+05 2.56E+05 1.32E+05 2.26E+05 5.02E+04 3.11E+05 9.68E+04 7.59E+04 9.35E+05 1.09E+05 4.77E+05 2.71E+05 5.38E+05 5.84E+05 4.26E+04 7.03E+05 2.74E+05 1.48E+05 2.17E+05 1.73E+05 4.85E+05 2.14E+06 1.58E+05 1.23E+05 4.62E+05 3.56E+04 Abscisate_1 2.31E+06 8.56E+05 1.64E+06 1.2E+06 4.56E+05 2.89E+05 6.37E+05 2.24E+05 1.05E+06 5.42E+05 9.91E+04 1.13E+06 3.13E+05 9.12E+05 6.24E+05 8.88E+05 3.48E+05 1.84E+05 7.08E+05 3.56E+05 8.92E+05 6.56E+05 1.46E+05 6.67E+05 8.39E+03 6.93E+05 1.61E+06 5.21E+05 1.18E+06 7.51E+05 8.99E+05 2.86E+05 9.6E+05 6.35E+05 4.1E+05 2.92E+05 4.91E+05 2.77E+05 3.41E+05 4.32E+05 5.61E+05 4.45E+05 6.23E+05 5.2E+05 2.68E+05 4.86E+05 4.8E+05 5.52E+05 3.56E+05 9.96E+05 7E+05 Abscisate_2 1.3E+03 1.66E+03 4.97E+03 4.65E+03 1.95E+03 2.78E+03 1.23E+03 871 2.39E+03 2.21E+03 3.29E+03 2.25E+03 2.76E+03 2.34E+03 1.83E+03 3.65E+03 2.13E+03 1.88E+03 2.49E+03 2.27E+03 1.09E+03 3.05E+03 2.25E+03 2.27E+03 4.91E+03 1.71E+03 1.8E+03 1.84E+03 1.87E+03 2.56E+03 1.62E+03 2.03E+03 1.85E+03 1.86E+03 2.03E+03 964 3.46E+03 2.17E+03 2.04E+03 849 2.06E+03 2.4E+03 2.49E+03 2.07E+03 2.34E+03 2.69E+03 1.98E+03 2.54E+03 3.53E+03 1.86E+03 2.25E+03 Acetone cyanohydrin_1 2.11E+07 3.22E+07 1.26E+06 2.22E+07 1.24E+07 1.74E+07 2.8E+07 1.46E+07 1.65E+07 1.14E+07 4.44E+06 2.38E+07 9.2E+06 1.97E+07 1.05E+07 1.24E+07 2.15E+07 8.39E+06 2.6E+07 1.72E+07 2.12E+07 2.06E+07 4.49E+06 1.79E+07 4.82E+06 2.18E+07 1.96E+07 3.83E+07 1.89E+07 2.14E+07 2.46E+07 3.24E+06 5.56E+06 2.75E+07 2.44E+07 2.44E+07 1.39E+07 2.34E+07 3.93E+07 1.07E+07 8.8E+06 2.59E+07 3.75E+07 1.13E+07 2.02E+07 6.36E+06 4.71E+06 3.43E+06 2.94E+07 2.8E+07 3.82E+07 Acetone cyanohydrin_2 2.3E+06 2.66E+06 3.04E+06 2.07E+06 4.57E+06 2.36E+06 3.65E+06 2.49E+06 3.81E+06 1.25E+06 1.88E+06 2.68E+06 1.99E+06 1.78E+06 1.21E+06 2.32E+06 4.5E+06 2.64E+06 3.09E+06 2.98E+06 1.9E+06 2.69E+06 2.22E+06 2.58E+06 2.72E+06 2.44E+06 3.07E+06 3.3E+06 1.77E+06 2.67E+06 2.59E+06 1.3E+06 1.68E+06 2.49E+06 2.34E+06 2.78E+06 1.65E+06 2.89E+06 2E+06 1.79E+06 1.87E+06 2.17E+06 2.92E+06 1.93E+06 2.51E+06 2.64E+06 2.15E+06 1.31E+06 5.1E+06 3.14E+06 3.46E+06 Acetone cyanohydrin_3 3.2E+06 4.6E+06 2.86E+06 1.89E+06 1.54E+06 2.59E+06 2.39E+06 1.53E+06 1.62E+06 1.65E+06 1.27E+06 1.92E+06 1.11E+06 1.68E+06 1.12E+06 1.73E+06 1.47E+06 6.7E+05 3.17E+06 2.25E+06 2.39E+06 1.17E+06 6.39E+05 6.93E+05 7.8E+05 3.5E+06 1.62E+06 1.98E+06 1.72E+06 1.79E+06 1.42E+06 5.4E+05 7.5E+05 1.58E+06 2.8E+06 2.27E+06 1.04E+06 1.05E+06 2.56E+06 1.87E+06 1.1E+06 3.35E+06 2.63E+06 1.75E+06 3.2E+06 1.1E+06 1.07E+06 4.85E+05 1.88E+06 1.86E+06 2.39E+06 Acetylcysteine 2.33E+06 2.9E+06 1.9E+06 3E+06 1.35E+06 1.14E+06 2.61E+06 9.18E+05 2.19E+06 1.38E+06 1.41E+06 3.23E+06 9.07E+05 1.19E+06 4.4E+05 1.21E+06 1.46E+06 1.47E+05 2.62E+06 1.08E+06 3.03E+06 2.45E+06 3.69E+05 2.44E+06 9.43E+04 9.51E+05 1.72E+06 2.2E+06 1.37E+06 9.59E+05 1.7E+06 1.74E+04 1.44E+05 2.21E+06 8.65E+05 1.13E+06 1.97E+06 1.79E+06 8.35E+05 1.57E+06 8.31E+05 2.64E+06 2.18E+06 3.22E+05 2.07E+06 8.2E+05 1.71E+06 1.65E+05 1.91E+06 1.96E+06 2.52E+06 Acridine 7.46E+04 1.71E+05 1.81E+05 4.34E+05 4.14E+05 3.15E+05 3.29E+05 4.2E+05 1.39E+05 1.21E+05 2.73E+05 1.15E+05 3.21E+05 8.98E+03 2.29E+05 2.31E+05 2.99E+05 4.21E+05 1.04E+05 2.07E+05 2.88E+04 1.14E+04 2.61E+05 9.88E+04 5.16E+04 2.77E+05 4.17E+05 3.56E+04 5.68E+04 3.56E+04 3.56E+04 1.86E+05 1.29E+05 1.36E+05 1.51E+05 8.77E+04 2.08E+05 1.34E+05 6.68E+04 3.96E+05 2.25E+05 1.61E+05 2.61E+05 1.07E+05 1.78E+05 1.09E+05 2.29E+05 1.03E+05 3.56E+05 3.46E+04 1.97E+05 ADENINE 1.67E+06 2.1E+04 2.05E+06 1.16E+05 1.21E+06 6.2E+04 5.22E+05 5.54E+05 1.25E+06 2.01E+06 3.89E+06 2.3E+05 1.6E+05 5.18E+05 7.01E+05 3.82E+06 2.03E+06 7.69E+05 9.71E+05 2.75E+06 1.87E+06 6.94E+05 1.29E+06 3.04E+05 1.52E+06 1.5E+06 8.57E+05 1.39E+04 2.07E+06 3.86E+05 5.43E+05 2.33E+05 3.12E+06 1.9E+06 1.38E+06 1.27E+06 1.95E+06 1.71E+06 2.83E+06 7.04E+05 1.5E+06 6.56E+05 4.18E+06 3.6E+05 3.11E+05 1.64E+06 1.42E+06 2.75E+06 7.3E+05 2.53E+06 3.62E+05 Adenine 1.63E+06 4.92E+04 2.62E+05 1.76E+05 7.21E+04 2.07E+05 1.17E+05 2.75E+05 1.72E+05 3.87E+05 4.13E+05 1.21E+05 9.66E+04 1E+06 8.32E+05 6.59E+05 8.26E+05 1.78E+05 1.3E+05 3.58E+05 4.95E+05 7.87E+05 1.37E+05 2.91E+05 1.42E+05 2.23E+05 1.64E+05 7.99E+04 1.09E+05 1.4E+06 8.99E+05 1.74E+05 1.54E+05 3.32E+05 8.57E+05 2.92E+05 3E+05 9.48E+05 1.82E+05 2.45E+04 1.39E+06 5.85E+05 2.05E+05 3.78E+05 6.56E+05 4.12E+05 4.73E+05 4.64E+05 2.66E+05 2.58E+05 6.38E+05 Adifoline 7.03E+05 6.64E+05 8.03E+05 6.76E+05 4.61E+05 5.18E+05 4.66E+05 6.46E+05 6.31E+05 7.83E+05 5.59E+05 6.97E+05 4.79E+05 5.89E+05 5.39E+05 6.48E+05 5.6E+05 5.2E+05 4.53E+05 5.33E+05 4.79E+05 5.94E+05 7.33E+05 4.33E+05 4.03E+05 4.75E+05 4.95E+05 5.2E+05 5.8E+05 3.98E+05 5.72E+05 3.87E+05 4.36E+05 4.16E+05 3.53E+05 5.73E+05 4.3E+05 5.35E+05 4.91E+05 3.61E+05 4.03E+05 4.03E+05 4.03E+05 3.62E+05 3.58E+05 5.51E+05 1.38E+06 4.79E+05 4.48E+05 4.99E+05 6.63E+05 Allamandin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ALLANTOIN 7.72E+06 2.79E+06 6.69E+06 3.9E+06 4.21E+06 5.88E+06 1.28E+07 3.2E+06 4.84E+06 6.77E+06 7.28E+06 3.79E+06 6.37E+06 6.77E+06 4.58E+06 5.38E+06 5.47E+06 4.06E+06 7.62E+06 5.05E+06 8.35E+06 7.72E+06 5.35E+06 7.56E+06 9.19E+06 4.05E+06 5.03E+06 4.87E+06 3.33E+06 7.48E+06 5.5E+06 4.51E+06 4.42E+06 9.67E+06 5.35E+06 3.93E+06 7E+06 1.22E+07 3.36E+06 3.9E+06 6.6E+06 1.15E+07 9.44E+06 5.56E+06 7.01E+06 5.04E+06 5.15E+06 5.32E+06 6.47E+06 4.66E+06 7.79E+06 Allophanic acid methyl ester 3.31E+05 2.77E+05 3.09E+05 3.62E+05 2.23E+05 9.84E+04 3.35E+05 1.72E+05 8.14E+04 1.96E+05 2.72E+05 2.05E+04 1.78E+05 1.15E+05 1.19E+05 2.36E+05 2.13E+05 4.39E+04 3.65E+05 5.91E+04 2.42E+04 2.18E+05 2.03E+05 2.73E+05 1.16E+05 3.15E+05 5.23E+04 3.04E+05 2.63E+05 8.91E+04 1.44E+05 1.53E+05 8.96E+04 9.58E+04 2.19E+05 9.41E+04 3.21E+05 1.16E+05 1.45E+05 1.42E+05 1.52E+05 6.25E+04 3.08E+05 1.39E+05 1.83E+05 2.48E+05 1.4E+05 2.38E+05 2.19E+05 2.86E+05 2E+05 alpha,beta-Didehydrotryptophan 1.37E+06 2.54E+06 5.32E+06 2.21E+06 1.77E+06 1.64E+06 3.54E+06 2.01E+06 2.37E+06 2.26E+06 4.79E+06 2.4E+06 1.63E+06 3.71E+06 3.19E+06 3.27E+06 1.3E+06 1.93E+06 2.13E+06 1.79E+06 1.48E+06 1.55E+06 3.4E+06 1.99E+06 1.47E+06 1.64E+06 2.85E+06 2.57E+06 2.71E+06 4.16E+06 3.88E+06 1.27E+06 3.46E+06 1.71E+06 1.07E+06 2.01E+06 1.59E+06 1.63E+06 1.05E+06 2.56E+06 4.98E+06 1.46E+06 2.24E+06 3.4E+06 1.31E+06 3.24E+06 2.59E+06 1.41E+06 1.88E+06 4.43E+06 2.04E+06 ALPHA-AMINOADIPATE 2.62E+06 1.04E+06 2.66E+06 2.1E+06 1.84E+06 2.56E+06 7.94E+05 1.36E+06 2.24E+06 9.55E+05 7.17E+05 2.38E+06 2.88E+06 2.21E+06 2.03E+06 1.01E+06 8.69E+05 9.67E+05 1.95E+06 2.37E+06 7.57E+05 5.13E+05 2.38E+06 6.83E+05 6.12E+05 8.82E+05 2.07E+06 1.92E+06 2.09E+06 1.87E+06 6.24E+05 1.88E+06 1.19E+06 2.32E+06 2.13E+06 1.46E+06 1.93E+06 8.13E+05 2.48E+06 1.39E+06 6.6E+05 7.8E+05 5.29E+05 9.84E+05 5.87E+05 5.27E+05 2.36E+06 7.77E+05 8.37E+05 1.65E+06 3.89E+06 alpha-EMTBL_1 3.83E+05 2.81E+05 3.69E+05 2.59E+05 1.86E+05 6.48E+04 1.29E+05 1.64E+05 1.84E+05 2.72E+04 3.08E+04 2.27E+05 5.26E+04 1.3E+05 3.43E+04 4.72E+04 1.52E+05 1.61E+04 1.47E+05 2.04E+05 3.46E+05 2.88E+05 2.06E+04 2.28E+05 4.79E+03 1.16E+05 6.44E+04 3.3E+05 7.38E+04 4.19E+04 1.12E+04 3.19E+03 5.58E+04 1.44E+05 1.25E+05 1.01E+05 1.92E+05 1.24E+05 7.84E+04 1.69E+04 2.21E+04 2.02E+05 1.28E+05 1.65E+04 2.82E+04 8E+04 7.74E+04 5.08E+03 2.68E+05 1.18E+05 1.4E+06 alpha-EMTBL_2 1.94E+05 4.03E+05 4.19E+05 1.21E+05 8.44E+04 9.57E+04 1.78E+05 2.81E+05 5E+04 3.12E+04 8.62E+04 7.28E+04 4.56E+04 1.04E+04 3.17E+04 1.41E+04 1.33E+05 5.06E+04 1.57E+05 2.38E+04 2.6E+05 1.34E+05 2.83E+04 1.83E+05 3.97E+04 5.63E+03 1.73E+05 6.69E+04 1.32E+04 8.56E+04 9.86E+03 7.93E+03 9.79E+03 5.84E+04 6.73E+04 3.07E+05 1.43E+05 1.26E+05 1.03E+05 2.01E+04 1.53E+04 2.92E+05 1.18E+05 2.85E+04 1.92E+05 1.01E+05 5.26E+04 3.06E+03 1.02E+05 8.55E+04 1.46E+05 alpha-Erythroidine 1.56E+06 3.49E+05 2.39E+05 4.97E+05 2.11E+05 2.56E+05 2.24E+05 1.05E+04 2.48E+05 3.34E+05 5.49E+05 9.77E+05 9.77E+04 2.56E+05 6.11E+04 4.84E+05 7.47E+05 1.88E+05 1.82E+05 3.85E+05 5.32E+05 1.49E+06 5.27E+05 4.06E+05 4.46E+05 3.6E+05 2.53E+05 3.54E+05 4.87E+05 5.08E+05 1.2E+05 3.01E+05 6.62E+04 5.84E+05 1.8E+05 7.22E+05 5.27E+05 1.27E+06 1.24E+06 3.24E+05 1.36E+06 1.07E+05 3.54E+05 4.11E+04 4.5E+05 1.05E+06 4.95E+06 4.75E+05 2.47E+05 9.04E+05 6.4E+05 alpha-Oxo-benzeneacetic acid 2.67E+06 1.5E+05 7.29E+05 1.35E+05 5.07E+05 1.07E+06 1.22E+06 1.15E+04 5.51E+04 1.7E+06 5.86E+05 1.05E+06 1.17E+06 7.23E+05 1.68E+05 2.96E+04 1.11E+05 6.58E+05 3.07E+05 1.49E+06 1.51E+06 4.29E+05 9.31E+05 1.17E+06 1.26E+06 1.36E+06 1.63E+05 9.96E+05 2.58E+06 9.33E+04 5.64E+05 1.02E+06 1.06E+06 1.81E+06 6.66E+05 7.31E+05 1.43E+06 7.8E+05 4.42E+05 3.21E+05 3.38E+05 3.25E+05 1.83E+06 2.52E+05 4.08E+05 1.58E+05 8.7E+05 2.62E+05 6.07E+04 7.09E+05 1.9E+05 alpha-Sinensal_1 3.85E+06 3.85E+06 3.28E+06 3.93E+06 3.81E+06 4.18E+06 2.78E+06 4.27E+06 4.15E+06 3.99E+06 3.58E+06 3.93E+06 4.34E+06 4.22E+06 4.12E+06 4.05E+06 4.04E+06 4.02E+06 3.91E+06 4.08E+06 4.21E+06 3.94E+06 4.11E+06 4.18E+06 3.88E+06 4.28E+06 3.95E+06 4E+06 4.03E+06 3.71E+06 4.03E+06 3.89E+06 3.91E+06 3.87E+06 3.58E+06 3.85E+06 3.88E+06 3.85E+06 3.43E+06 3.77E+06 3.67E+06 3.55E+06 3.49E+06 3.61E+06 3.67E+06 3.56E+06 4.04E+06 3.57E+06 3.57E+06 3.65E+06 4.09E+06 alpha-Sinensal_2 5.35E+05 5.68E+05 5.02E+05 4.78E+05 5.09E+05 6.88E+05 3.9E+05 5.96E+05 5.72E+05 6.38E+05 5.3E+05 6.17E+05 6.19E+05 5.54E+05 5.97E+05 5.23E+05 5.89E+05 5.25E+05 5.88E+05 5.07E+05 5.22E+05 6.01E+05 5.7E+05 6.05E+05 6.24E+05 5.9E+05 6.67E+05 6.89E+05 5.62E+05 5.49E+05 6.41E+05 7.44E+05 5.61E+05 8.42E+05 9.49E+05 7.08E+05 9.58E+05 1.01E+06 1.01E+06 9.89E+05 9.04E+05 8.79E+05 1.11E+06 1.04E+06 7.35E+05 8.76E+05 6.72E+05 6.3E+05 7.57E+05 9.95E+05 5E+05 alpha-Sinensal_3 3.38E+05 3.33E+05 3.35E+05 3.28E+05 3.61E+05 3.68E+05 3.35E+05 3.09E+05 3.36E+05 3.57E+05 3.44E+05 3.71E+05 3.42E+05 3.35E+05 3.27E+05 2.91E+05 2.97E+05 3.34E+05 3.31E+05 3.45E+05 3.52E+05 3.25E+05 3.17E+05 2.89E+05 2.99E+05 3.37E+05 3.25E+05 3.29E+05 3.2E+05 3.05E+05 2.96E+05 3.1E+05 3.08E+05 2.91E+05 3.08E+05 3.15E+05 3.26E+05 3.01E+05 3.14E+05 2.9E+05 2.88E+05 3.2E+05 3E+05 3.08E+05 3.02E+05 3.01E+05 3.4E+05 3.05E+05 3.22E+05 2.89E+05 3.8E+05 alpha-Sinensal_4 2.17E+05 1.91E+05 2.06E+05 1.61E+05 1.73E+05 1.92E+05 1.96E+05 2.25E+05 2.12E+05 2.15E+05 2.11E+05 1.73E+05 2.07E+05 2.22E+05 2.4E+05 2.04E+05 1.81E+05 1.92E+05 2.17E+05 1.91E+05 2.06E+05 2.83E+05 1.99E+05 2.34E+05 1.87E+05 2.05E+05 2.02E+05 1.92E+05 2.65E+05 1.79E+05 1.73E+05 1.98E+05 2.24E+05 1.97E+05 1.57E+05 1.89E+05 2.2E+05 2.19E+05 8.32E+04 2.03E+05 2.32E+05 2.44E+05 1.88E+05 1.94E+05 1.97E+05 1.82E+05 4.88E+05 1.85E+05 2.18E+05 1.79E+05 2.19E+05 alpha-Tocopherol 2.34E+05 4.58E+04 0 1.51E+05 4.02E+05 5.4E+04 2E+03 1.65E+05 1.94E+05 2.68E+05 0 1.28E+07 2.36E+07 5.56E+04 3.39E+05 6.2E+05 1.51E+04 4.85E+05 1.48E+05 2.05E+05 783 6.18E+04 6.66E+03 1.91E+05 2.97E+04 1.26E+05 1.5E+05 7.18E+04 5.28E+05 1.21E+04 5.14E+05 1.53E+05 5.5E+04 6.85E+04 1.73E+06 5.74E+04 1.74E+05 6.59E+05 7.46E+05 6.99E+03 1.4E+05 3.87E+04 5.38E+03 9.84E+04 5.64E+05 5.35E+04 2.11E+05 5.29E+05 2.5E+06 2.51E+05 1.51E+07 AMPA_1 1.04E+06 2.02E+06 4.13E+06 1.6E+06 2.28E+06 2.26E+06 3.09E+06 5.4E+06 1.95E+06 2.34E+06 6.54E+06 9.98E+05 5.22E+06 3.91E+06 5.47E+06 4.1E+06 2.83E+06 4.89E+06 1.61E+06 1.69E+06 1.05E+06 1.1E+06 5.05E+06 9.72E+05 4.76E+06 1.8E+06 2.32E+06 1.44E+06 1.89E+06 5.41E+06 2.87E+06 4.61E+06 6.78E+06 1.34E+06 2.51E+06 2.51E+06 8.6E+05 8.11E+05 2.45E+06 1.29E+06 4.35E+06 9.5E+05 1.01E+06 4.39E+06 9.61E+05 3.96E+06 3.8E+06 5.35E+06 7.19E+05 2.11E+06 9.97E+05 AMPA_2 7.13E+04 4.06E+04 1.29E+05 1.08E+05 2.44E+05 9.73E+04 1.31E+05 1.91E+05 2.75E+05 8.2E+04 1.51E+05 1.06E+05 1.78E+05 1.73E+05 1.07E+05 4.88E+04 1.51E+05 1.78E+05 8.79E+04 3.08E+04 1.54E+05 8.09E+04 4.26E+04 1.76E+05 2.39E+05 4.16E+04 8.02E+04 6.69E+04 9.09E+04 2.43E+05 8.43E+04 8.95E+04 9.48E+04 5.23E+04 9.53E+04 1E+05 6.96E+04 4.94E+04 7.93E+04 9.35E+04 4.36E+04 2.52E+04 6.27E+04 6.92E+04 1.79E+05 1.37E+05 1.35E+05 7.54E+04 1.21E+05 5.59E+04 1.34E+05 Ampicillin 0 6.76E+06 0 0 0 2.49E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ancitabin hydrochloride 7.76E+06 1.43E+07 8.23E+06 8.38E+06 1.1E+07 1.02E+07 8.84E+06 1.15E+07 1.19E+07 8.88E+06 1.12E+07 1.18E+07 1.07E+07 7.22E+06 7.59E+06 1.1E+07 9.76E+06 8.63E+06 1.22E+07 1.18E+07 1.1E+07 5.7E+06 1.15E+07 8.13E+06 1.24E+07 1.02E+07 1.19E+07 1.21E+07 9.53E+06 4.81E+06 5.73E+06 1.42E+07 8.72E+06 1.23E+07 1.03E+07 1.18E+07 9.56E+06 7.41E+06 1.3E+07 1.18E+07 7.92E+06 1.26E+07 1.03E+07 9.81E+06 6.23E+06 1.16E+07 9.05E+06 1.29E+07 1.14E+07 1.54E+07 6.37E+06 Androsterone glucuronide 1.1E+03 0 0 1.11E+03 0 1.61E+03 0 1.17E+03 0 0 1.09E+03 1.11E+03 1.29E+03 1.08E+03 0 0 0 1.93E+03 0 1.39E+04 0 0 0 0 2.29E+04 0 1.53E+03 0 0 0 0 712 0 7.67E+04 6.21E+03 0 0 0 0 0 0 0 964 0 0 2.98E+04 0 0 6.01E+04 0 0 Aniflorine 2.77E+06 1.43E+06 1.63E+06 2.51E+06 1.32E+06 1.58E+06 1.36E+06 9.87E+05 1.19E+06 1.96E+06 1.63E+06 1.56E+06 1.59E+06 1.01E+06 1.6E+06 1.68E+06 9.69E+05 9.86E+05 1.16E+06 1.03E+06 1.94E+06 1.62E+06 1.16E+06 1.43E+06 1.38E+06 1.24E+06 1.38E+06 1.48E+06 1.51E+06 1.13E+06 1.9E+06 2.21E+06 1.18E+06 1.69E+06 1.25E+06 1.12E+06 1.13E+06 1.9E+06 2.76E+06 1.73E+06 9.42E+05 1.41E+06 9.39E+05 1.04E+06 1.36E+06 2.58E+06 3.19E+06 8.93E+05 9.2E+05 1.4E+06 2.06E+06 Anthranilate 1.04E+07 3.88E+06 8.81E+06 2.85E+06 5.52E+06 5.9E+06 4.31E+06 5.54E+06 4.78E+06 3.6E+06 3.69E+06 6.36E+06 4.14E+06 4.88E+06 4.32E+06 5.16E+06 4.49E+06 9.4E+06 3.24E+06 4.66E+06 1.02E+07 9.85E+06 4.61E+06 8.79E+06 2.86E+06 5.63E+06 1.14E+07 2.12E+06 9.71E+06 5.91E+06 4.16E+06 5.55E+06 6.34E+06 4.51E+06 4.99E+06 3.46E+06 5.64E+06 4.33E+06 1.44E+06 8.98E+06 8.36E+06 5.76E+06 5.31E+06 4.01E+06 9.93E+06 8.07E+06 3.69E+06 5.93E+06 2.3E+06 5.17E+06 7.67E+06 Apiole_1 1.56E+07 4.48E+06 2.26E+07 7.18E+06 4.75E+06 2.91E+07 3.97E+06 7E+06 1E+07 9.63E+06 1.76E+05 1.57E+06 3.24E+07 6.85E+06 1.09E+07 9.39E+06 8.31E+06 5.78E+06 4.99E+06 6.5E+06 2.6E+06 1.46E+07 3.46E+07 5.2E+06 4.15E+05 4.98E+06 4.94E+06 1.53E+07 4.62E+06 6.03E+06 7.16E+06 4.01E+06 6.29E+06 1.05E+07 6.62E+06 1.54E+07 6.47E+06 6.88E+06 7.9E+06 2.16E+06 4.64E+06 8.07E+06 2.9E+06 1.26E+07 5.62E+06 7.9E+06 1.19E+06 1.48E+06 4.42E+06 4.26E+06 2.64E+06 Apiole_2 8.27E+05 7.34E+05 7.26E+05 8.11E+05 8.01E+05 7.69E+05 7.55E+05 6.85E+05 7.57E+05 7.71E+05 8.48E+05 7.2E+05 8.05E+05 8.68E+05 8.05E+05 6.78E+05 6.83E+05 8.54E+05 5.63E+05 6.41E+05 6.81E+05 6.26E+05 7.83E+05 7.02E+05 7.14E+05 6.07E+05 7.72E+05 6.56E+05 6.33E+05 6.71E+05 7.04E+05 6.91E+05 6.43E+05 6.8E+05 6.38E+05 6.29E+05 6.3E+05 6.45E+05 6.21E+05 6.29E+05 6.34E+05 6.12E+05 6.36E+05 6.41E+05 5.69E+05 6.51E+05 8.52E+05 6.28E+05 6.02E+05 5.59E+05 7.71E+05 Apoatropine_1 4.94E+05 0 0 0 0 0 1.97E+03 0 2.94E+03 0 0 0 0 0 0 1.87E+03 0 1.75E+03 2.55E+04 0 2.3E+03 0 0 0 1.85E+03 0 1.46E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.68E+03 0 0 0 0 0 0 0 0 Apoatropine_2 1.4E+07 0 0 1.26E+04 0 0 1.27E+03 1.38E+03 1.2E+03 0 1.47E+03 4.66E+03 1.35E+03 0 0 1.26E+03 2.06E+03 2.37E+03 4.06E+05 1.38E+03 0 0 0 1.42E+03 1.77E+03 0 0 0 0 0 1.73E+03 0 0 1.5E+03 0 1.46E+03 0 1.45E+03 0 1.28E+03 2.49E+03 0 0 1.34E+03 0 0 6.13E+03 0 0 1.41E+03 1.4E+03 Apraclonidine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.43E+03 0 0 0 0 0 0 0 0 0 0 0 0 8.57E+03 1.41E+03 0 0 2.97E+03 0 0 0 0 0 0 1.4E+03 0 0 0 0 0 0 0 0 0 5.51E+03 Arachidonate 7.67E+06 2.08E+06 1.08E+06 1.17E+06 1.02E+06 6.93E+05 1.24E+06 2.35E+05 1.11E+06 2.61E+06 1.36E+06 2.14E+06 4.14E+05 1.87E+06 8.23E+05 2.04E+06 1.63E+06 9.3E+05 1.09E+06 5.53E+05 2.86E+06 1.12E+07 8.46E+05 1.44E+06 1.06E+06 9.33E+05 1.79E+06 1E+06 2.19E+06 1.83E+06 3.19E+06 1.85E+06 8.34E+05 4.98E+06 1E+06 1.84E+06 2.23E+06 5.15E+06 5.57E+06 7.52E+05 5.76E+06 1.99E+06 1.72E+06 8.83E+05 2.33E+06 4.56E+06 2.11E+07 1.96E+06 1.35E+06 6.21E+06 1.12E+06 Arbutin 5.77E+04 0 1.47E+04 0 8.58E+04 1.28E+05 6.25E+04 0 5.34E+03 2.2E+03 0 2.01E+03 1.46E+06 5.04E+03 0 0 0 0 1.51E+03 967 1.88E+03 0 9.29E+03 1.18E+05 2.77E+03 0 0 0 2.07E+03 0 5.93E+04 8.65E+03 4.6E+03 1.99E+05 3.47E+04 0 1.15E+05 0 1.2E+04 2.52E+03 0 0 3.11E+03 0 0 0 2.09E+03 0 0 1.13E+04 0 Aristolochic acid 4.33E+06 3.74E+06 3.31E+06 1.18E+06 2.57E+06 3.71E+06 2.45E+06 2.15E+06 3.18E+06 1.88E+06 2.81E+06 3.12E+06 2.39E+06 6.04E+06 4.32E+06 3.66E+06 4.08E+06 2.63E+06 2.32E+06 4.02E+06 1.9E+06 3.55E+06 2.94E+06 2.88E+06 2.01E+06 3.28E+06 2.56E+06 2.55E+06 2.82E+06 6.03E+06 5.19E+06 2.22E+06 2.52E+06 3.38E+06 5E+06 2.9E+06 2.19E+06 2.38E+06 3.02E+06 3.23E+06 4.71E+06 3.99E+06 2.52E+06 4.3E+06 3.41E+06 2.52E+06 2.06E+06 2.85E+06 4.03E+06 2.97E+06 4.86E+06 Aromatic aldehyde_1 5.28E+06 7.75E+06 3.84E+06 7.4E+06 9.5E+03 3.47E+06 1E+07 3.16E+06 9.25E+05 2.47E+06 1.71E+05 4.08E+06 2.94E+05 3E+06 4.68E+06 7.36E+05 6.75E+03 5.45E+06 4.04E+05 3.04E+03 4.14E+06 3.5E+06 2.79E+06 3.8E+06 2.04E+06 5.07E+04 9.08E+03 3.42E+05 1.17E+06 6.02E+03 2.76E+06 2.22E+06 3.01E+06 5.76E+06 1.97E+03 5.86E+04 4.9E+03 2.57E+04 3.53E+03 5.16E+03 1.75E+06 5.68E+03 5.34E+06 4.33E+06 5.8E+04 1.12E+06 2.3E+06 2.78E+06 3.02E+04 1.86E+06 6.18E+06 Aromatic aldehyde_2 1.49E+06 1.53E+06 2.31E+06 1.6E+06 1.34E+06 1.2E+06 1.64E+06 9.64E+05 1.44E+06 1.46E+06 1.33E+06 1.69E+06 1.06E+06 1.5E+06 1.64E+06 1.24E+06 1.4E+06 2.17E+06 1.45E+06 1.44E+06 1.35E+06 1.23E+06 1.86E+06 1.39E+06 1.22E+06 1.26E+06 1.37E+06 1.42E+06 1.41E+06 1.36E+06 1.53E+06 1.48E+06 2.03E+06 1.64E+06 1.23E+06 1.37E+06 1.24E+06 1.17E+06 1.81E+06 1.77E+06 1.55E+06 1.83E+06 1.23E+06 1.57E+06 1.16E+06 1.15E+06 1.26E+06 1.35E+06 1.41E+06 1.26E+06 1.76E+06 Aromatic aldehyde_3 8.58E+05 1.24E+05 8.36E+05 6.16E+05 6.48E+05 2.85E+05 7.58E+05 5.42E+05 9.16E+05 5.18E+05 7.38E+05 7.78E+05 4.53E+05 7.95E+05 7.21E+05 5.89E+05 2.21E+05 7.18E+05 6.85E+05 3.06E+05 2.13E+05 4.47E+05 8.66E+05 3.81E+05 4.43E+05 6.16E+05 4.14E+05 2.8E+05 2.79E+05 5.9E+05 7.21E+05 7.56E+05 6.5E+05 3.99E+05 2.55E+05 3.85E+05 2.43E+05 3.15E+05 8.4E+05 6.6E+05 6.85E+05 7.5E+05 8.34E+05 8E+05 2.11E+05 4.46E+05 4.3E+05 7.06E+05 1.78E+05 6.43E+05 3.12E+05 Aromatic aldehyde_4 9.27E+05 3.86E+05 3.8E+05 3.66E+05 3.75E+05 2.31E+05 3.83E+05 4.23E+05 5.47E+05 1.55E+05 4.89E+05 4.78E+05 2.52E+05 4.13E+05 2.55E+05 2.92E+05 5.17E+05 1.74E+05 5.15E+05 5.04E+05 2.05E+05 4.57E+05 2.65E+05 2.25E+05 2.54E+05 5.68E+05 5.53E+05 8.03E+05 2.81E+05 8.33E+05 6.26E+05 1.32E+05 2.37E+05 3.83E+05 4.75E+05 4.6E+05 5.09E+05 3.94E+05 6.57E+05 3.74E+05 3.4E+05 7.8E+05 5.77E+05 2.18E+05 6.58E+05 2.5E+05 1.23E+05 3.9E+05 3.78E+05 3.99E+05 8.32E+05 Aromatic aldehyde_5 2.62E+05 1.02E+05 1.28E+05 1.03E+05 2.09E+05 3.58E+04 1.48E+05 2.29E+05 1.86E+05 9.84E+04 3.39E+05 1.49E+05 5.47E+04 1.12E+05 2.11E+04 1.28E+05 1.87E+05 7.01E+03 3.92E+05 2.55E+05 1.42E+04 9.7E+04 4.15E+04 7.93E+04 1.2E+05 2.61E+05 2.42E+05 5.01E+05 1.69E+05 2.81E+05 1.31E+05 1.79E+04 1.77E+04 3.49E+04 2.07E+05 3.09E+05 3.1E+05 3.75E+05 2.01E+05 1.09E+05 8.03E+04 5.04E+05 2.61E+05 9.27E+04 2.53E+05 4.65E+04 2.91E+04 2.12E+05 1.47E+05 2.28E+05 2.88E+05 Austrobailignan 1 2.49E+07 2.7E+07 2.1E+07 2.72E+07 2.13E+07 2.6E+07 3.09E+07 2.14E+07 1.94E+07 2.21E+07 2.16E+07 1.91E+07 1.78E+07 2.24E+07 2.84E+07 1.84E+07 1.98E+07 1.79E+07 1.64E+07 2.39E+07 1.57E+07 1.78E+07 1.53E+07 2.4E+07 1.74E+07 3.33E+07 2.2E+07 2.06E+07 2.12E+07 1.89E+07 2.2E+07 2.41E+07 1.61E+07 1.85E+07 1.81E+07 2.34E+07 2.03E+07 2.9E+07 2.25E+07 2.15E+07 1.26E+07 2.24E+07 1.65E+07 1.83E+07 1.64E+07 2.12E+07 2.38E+07 1.43E+07 1.88E+07 1.66E+07 2.25E+07 Azelaic acid 6.05E+05 3.75E+05 7.3E+05 3.67E+05 8.33E+05 4.02E+05 3.97E+05 7.14E+05 4.99E+05 7.12E+05 9.78E+05 4.3E+05 3.86E+05 3.75E+05 5.25E+05 7.04E+05 4.78E+05 5.24E+05 4.09E+05 1.22E+06 4.57E+05 5.62E+05 4.66E+05 3.46E+05 6.21E+05 4.27E+05 5.94E+05 2.83E+05 4.97E+05 3.88E+05 4.13E+05 4.41E+05 5.07E+05 7.61E+05 6.56E+05 7.82E+05 5.26E+05 5.42E+05 6.58E+05 4.26E+05 4.2E+05 3.85E+05 4.14E+05 3.61E+05 4.43E+05 8.97E+05 8.94E+05 6.77E+05 4.84E+05 4.84E+05 3.37E+05 Bakkenolide A 4.72E+06 4.62E+06 3.91E+06 4.53E+06 4.62E+06 4.75E+06 3.63E+06 4.84E+06 4.93E+06 4.79E+06 4.36E+06 4.67E+06 4.79E+06 4.88E+06 4.85E+06 4.65E+06 4.75E+06 4.93E+06 4.52E+06 4.81E+06 4.9E+06 4.84E+06 4.76E+06 4.78E+06 4.64E+06 4.78E+06 4.69E+06 4.67E+06 4.66E+06 4.4E+06 4.87E+06 4.65E+06 4.6E+06 4.89E+06 4.56E+06 4.56E+06 4.52E+06 4.72E+06 4.43E+06 4.42E+06 4.52E+06 4.4E+06 4.42E+06 4.46E+06 4.41E+06 4.78E+06 5.45E+06 4.38E+06 4.37E+06 4.53E+06 4.59E+06 Batrachotoxin 9.92E+05 4.04E+05 2.85E+05 4.94E+05 4.6E+05 3.52E+05 1.76E+05 7.45E+03 4.61E+05 2.03E+05 2.02E+05 6.35E+05 3.4E+04 6.1E+05 8.18E+04 1.76E+06 1.13E+06 4.78E+05 9.26E+04 3.08E+05 5.48E+05 1.27E+06 7.23E+05 2.4E+05 1.02E+05 3.42E+05 3.65E+05 6.95E+05 4.48E+05 3.86E+05 8.03E+05 1.26E+05 2.35E+05 7.36E+05 5.44E+05 5.18E+05 4.95E+05 6.15E+05 1.96E+06 1.9E+05 9.35E+05 2.49E+05 3.45E+05 1.59E+05 2.83E+05 5.42E+05 1.67E+06 6.46E+05 1.2E+06 1.38E+06 6.1E+05 Beclomethasone 1.07E+05 4.45E+04 8.32E+04 1.55E+04 3.79E+04 4.28E+06 6.8E+03 2.83E+04 5.63E+04 6.61E+04 2.24E+04 2.5E+04 1.01E+04 5.02E+04 3.73E+04 7.17E+04 3.74E+04 3.45E+05 1.27E+04 1.19E+04 2.75E+04 1.25E+05 2.86E+04 2.1E+04 7.77E+04 9.26E+05 4.32E+04 6.24E+03 5.12E+05 1.95E+04 7.32E+04 2.94E+05 3.29E+04 4.38E+04 4.94E+04 7.1E+04 5.54E+04 2.27E+04 1.34E+05 1.23E+04 4.44E+04 2.1E+04 4.43E+04 2.74E+04 3.12E+04 1.8E+05 5.53E+05 6.11E+04 3.2E+04 7.74E+04 1.5E+04 Benzoate 7.14E+06 5.22E+06 6.67E+06 4.54E+06 4.59E+06 4.2E+06 7.52E+06 3.15E+06 5.55E+06 3.04E+06 5.67E+06 5.93E+06 2.9E+06 4.96E+06 5.1E+06 3.92E+06 4.39E+06 5.03E+06 4.33E+06 4.49E+06 3.05E+06 2.64E+06 5.8E+06 3.12E+06 4.45E+06 7E+06 4.35E+06 4.15E+06 4.37E+06 4.6E+06 4.12E+06 4.31E+06 4.83E+06 5.35E+06 3.74E+06 3.79E+06 2.34E+06 2.4E+06 6.19E+06 4.88E+06 4.65E+06 5.23E+06 6.21E+06 6.07E+06 2.73E+06 2.99E+06 6.06E+06 4.89E+06 4.16E+06 4.67E+06 5.4E+06 Benzofuran_1 4.94E+06 3.03E+06 4.06E+06 3.14E+06 2.44E+06 2.34E+06 4.85E+06 1.57E+06 3.05E+06 1.51E+06 3.66E+06 3.16E+06 1.44E+06 2.49E+06 2.84E+06 1.88E+06 2.09E+06 2.44E+06 2E+06 2.09E+06 1.41E+06 1.2E+06 2.74E+06 1.44E+06 2.03E+06 3.07E+06 2.01E+06 1.91E+06 2.09E+06 2.08E+06 1.9E+06 1.96E+06 2.12E+06 2.53E+06 1.65E+06 1.8E+06 1.11E+06 1.16E+06 2.86E+06 2.16E+06 2.14E+06 2.43E+06 2.75E+06 2.87E+06 1.22E+06 1.34E+06 4.38E+06 2.18E+06 1.94E+06 2.16E+06 3.97E+06 Benzofuran_2 2.91E+05 1.05E+05 4.78E+05 3.27E+05 5.99E+05 5.78E+05 1.04E+06 1.2E+05 3.76E+05 3.4E+05 5.14E+05 2.26E+05 6.99E+05 5.48E+05 7.08E+05 4.48E+05 4.31E+05 1.24E+07 3.89E+05 3.67E+05 2.02E+05 2.82E+05 1.29E+06 4.7E+05 7.82E+06 3.14E+05 2.1E+05 2.13E+05 1.55E+05 1.01E+06 3.53E+05 5.21E+06 1.5E+06 1.08E+06 3.12E+05 1.18E+05 1.27E+05 3.38E+05 3.88E+05 8.66E+05 8.96E+05 2.61E+05 9.14E+05 8.98E+05 1.76E+05 6.38E+05 5.07E+05 1.06E+07 1.54E+05 2.3E+05 3.79E+05 Benzyl alcohol 1.8E+05 2.14E+05 2.33E+05 5.62E+04 2.18E+05 2.28E+05 2.12E+05 2.25E+05 1.87E+05 2.37E+05 2.03E+05 2.23E+05 1.93E+05 2.43E+05 1.77E+05 2.04E+05 2.31E+05 2.52E+05 2.39E+05 2.24E+05 2.17E+05 2.04E+05 1.68E+05 2.23E+05 2.09E+05 2.59E+05 2.21E+05 2.4E+05 1.84E+05 2.35E+05 1.89E+05 9.76E+04 6.62E+04 2.32E+05 2.4E+05 2.33E+05 2.51E+05 2.2E+05 2.35E+05 2.35E+05 2.56E+05 2.54E+05 2.41E+05 2.57E+05 2.26E+05 2.1E+05 2.17E+05 2.22E+05 2.03E+05 2.37E+05 2.21E+05 Benzyl nicotinate 0 0 0 0 1.35E+03 0 0 0 1.17E+03 0 0 1.41E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.04E+03 0 0 0 0 0 0 0 1.12E+03 0 0 0 0 0 0 0 1.2E+03 0 0 0 0 0 0 0 Bergaptol_1 2.09E+06 1.96E+06 2.07E+06 1.9E+06 8.07E+05 2.37E+06 1.85E+06 6.86E+05 1.06E+06 1.89E+06 1.68E+06 1.84E+06 1.42E+06 2.27E+06 1.77E+06 5.91E+05 1.74E+06 8.56E+05 1.08E+06 6.88E+05 1.47E+06 1.77E+06 2.36E+06 1.9E+06 5.82E+05 1.38E+06 1.01E+06 7.42E+05 9.06E+05 1.75E+06 7.19E+05 1.89E+06 1.44E+06 1.49E+06 5.32E+05 1.16E+06 1.57E+06 1.85E+06 1.73E+06 1.99E+06 1.25E+06 1.85E+06 1.78E+06 1.19E+06 1.98E+06 1.22E+06 1.81E+06 1.27E+06 1.56E+06 7.65E+05 2.43E+06 Bergaptol_2 0 1.93E+03 6.3E+05 1.35E+03 3.59E+03 5.78E+04 1.38E+03 0 1.56E+03 0 3.08E+03 1.54E+03 6.54E+04 1.56E+03 0 794 0 1.5E+05 1.65E+03 2.36E+03 1.57E+03 1.55E+03 1.54E+03 1.91E+03 0 1.36E+03 1.65E+03 1.39E+03 0 1.54E+03 0 0 1.42E+03 0 0 6.56E+03 0 1.76E+03 0 0 1.37E+03 0 0 3.31E+03 1.26E+03 3.36E+03 0 1.43E+03 1.4E+03 0 1.52E+03 BETA-ALANINE 8.64E+07 9.3E+07 5.56E+07 6.6E+07 5.55E+07 5.44E+07 7.04E+07 4.07E+07 5.41E+07 5.32E+07 9.3E+07 6.76E+07 3.07E+07 9.96E+07 6.66E+07 5.4E+07 8.32E+07 4.72E+07 5.49E+07 5.51E+07 7.98E+07 5.27E+07 6.62E+07 3.48E+07 9.73E+07 8.52E+07 7.62E+07 5.02E+07 9.69E+07 5.16E+07 6.68E+07 7.56E+07 4.93E+07 5.62E+07 7.88E+07 3.87E+07 4.14E+07 6.63E+07 9.96E+07 1.07E+08 5.57E+07 5.32E+07 6.11E+07 6.62E+07 4.94E+07 5.6E+07 8.14E+07 4.7E+07 8.04E+07 6.74E+07 1.31E+08 beta-Carboline_1 1.61E+07 1.83E+07 1.37E+07 3.13E+07 1.34E+07 1.26E+07 1.16E+07 1.39E+07 1.41E+07 1.81E+07 4.81E+06 2.93E+07 4.72E+06 1.58E+07 8.9E+06 1.31E+07 2.01E+07 1.13E+07 2.88E+07 1.71E+07 2.07E+07 2.18E+07 3.83E+06 2.36E+07 7.76E+06 2.28E+07 1.88E+07 4.52E+07 2.07E+07 2.29E+07 2.55E+07 9.77E+06 6.51E+06 2.17E+07 3.12E+07 3.95E+07 2.33E+07 2.8E+07 1.92E+07 2.36E+07 1.47E+07 1.54E+07 2.24E+07 9.92E+06 2.4E+07 6.53E+06 7.31E+06 1.08E+07 2.19E+07 2.75E+07 1.85E+07 beta-Carboline_2 2.51E+06 1.55E+06 2.08E+06 1.89E+06 2.26E+06 1.82E+06 1.78E+06 1.8E+06 1.75E+06 2.56E+06 1.66E+06 2.21E+06 1.35E+06 2.73E+06 2.08E+06 1.76E+06 2.63E+06 4.09E+06 1.78E+06 2.12E+06 2.36E+06 1.9E+06 8.7E+06 2.07E+06 2.82E+06 2.3E+06 2.2E+06 1.87E+06 2.26E+06 1.96E+06 2.27E+06 3.97E+06 3.81E+06 2.55E+06 2.13E+06 2.16E+06 2.76E+06 2.38E+06 2.24E+06 3.3E+06 3.14E+06 2.06E+06 1.8E+06 3.09E+06 1.91E+06 2.26E+06 3.36E+06 4.7E+06 2.35E+06 1.81E+06 2.05E+06 beta-Carboline_3 1.91E+05 1.94E+06 1.45E+06 1.93E+06 4.14E+05 1.38E+06 1.44E+06 5.27E+05 9.32E+05 7.23E+05 1.58E+05 6.77E+05 2.9E+05 1.19E+06 4.62E+05 2.18E+05 7.77E+05 1.29E+05 1.28E+06 7.33E+05 2.93E+05 5.45E+05 1.84E+05 8.08E+04 1.58E+05 7.17E+05 2.02E+05 1.3E+06 5.51E+05 1.24E+06 8.99E+05 7.51E+04 1.86E+05 5.76E+05 5.55E+05 7.06E+05 1.14E+06 5.32E+05 9.52E+05 3.88E+05 3.7E+05 6.27E+05 8.04E+05 1.95E+05 3.42E+05 8.49E+04 1.54E+05 1.66E+05 2.03E+05 5.31E+05 1.63E+06 beta-Carboline_4 1.42E+06 9.25E+04 1.07E+06 3.16E+05 6.93E+05 2.59E+05 2.81E+05 1.16E+06 5.6E+05 6.24E+05 1.3E+06 8.85E+04 2.81E+05 3.36E+05 4.67E+05 7.78E+05 6.7E+05 4.57E+05 2.56E+05 1.49E+06 6.74E+05 6.12E+05 4.42E+05 2.65E+05 5.33E+05 4.37E+05 5.02E+05 2.99E+05 4.7E+05 3.06E+05 3E+05 3.03E+05 6.32E+05 1.22E+06 5.48E+05 1.39E+06 6.66E+05 6.41E+05 6.62E+05 3.93E+05 4.23E+05 2.96E+05 4.86E+05 2.24E+05 3.32E+05 9.86E+05 1.04E+06 7.95E+05 3.01E+05 6.43E+05 2.77E+05 BETAINE 3.01E+08 5.92E+08 6.44E+08 3.68E+08 4.86E+08 5.53E+08 5.71E+08 4.18E+08 5.69E+08 3.82E+08 2.56E+08 5.98E+08 4.21E+08 6.22E+08 5.3E+08 5.09E+08 5.63E+08 6.81E+08 2.61E+08 5.47E+08 2.83E+08 3.57E+08 4.32E+08 1.96E+08 2.4E+08 5.4E+08 5.17E+08 4.44E+08 2.93E+08 5.4E+08 5.8E+08 2.63E+08 7.23E+08 5.18E+08 6.38E+08 4.72E+08 2.25E+08 3.31E+08 4.92E+08 3.14E+08 5.54E+08 6.13E+08 4.66E+08 5.62E+08 3.01E+08 2.32E+08 2.85E+08 6.7E+08 5.87E+08 5.79E+08 3.68E+08 Betamethasone 6.78E+06 1.17E+06 1.43E+06 7.65E+05 1.24E+06 6.45E+05 2.87E+05 1.12E+06 9.67E+05 1.31E+06 9.33E+05 4.61E+05 1.28E+06 1.08E+06 1.19E+06 9.38E+05 1.06E+06 8.05E+05 1.29E+06 1.04E+06 1.01E+06 5.53E+06 7.35E+05 2.07E+06 1.05E+06 6.56E+05 4.53E+05 1.36E+06 5.35E+06 1.93E+06 1.1E+06 1.05E+06 7.76E+05 8.85E+05 1.47E+06 1.46E+06 3.1E+05 2.54E+05 2.83E+06 1.03E+06 5.85E+05 1.27E+06 7.15E+05 1.48E+06 1.22E+06 4.27E+05 9.21E+05 1.94E+05 1.08E+06 7.3E+05 1.13E+06 Bilirubin 1.84E+06 1.48E+06 4.81E+05 9.9E+05 3.69E+05 5.82E+05 4.19E+05 2.43E+03 5.28E+05 1.58E+06 2.76E+04 6.42E+05 9.54E+04 9.06E+05 1.13E+05 3.17E+05 4.02E+05 2.66E+04 4.73E+04 2.09E+05 9.32E+05 8.56E+06 1.61E+05 1.06E+05 1.49E+04 2.97E+05 2.66E+05 7.04E+05 1.65E+06 4.98E+05 1.75E+06 9.59E+04 4.06E+05 1.76E+06 8.67E+05 8.21E+05 3.42E+05 3.85E+06 1.44E+06 3.31E+05 9.5E+05 7.89E+05 2.88E+05 2.05E+05 8.65E+05 3.96E+05 3.62E+06 1.01E+05 3.87E+05 2E+06 4.3E+05 Bis(2-chloroethyl)ether_1 3.9E+05 2.88E+05 3.88E+05 4.62E+05 1.9E+05 9.07E+05 8.26E+05 3.87E+05 2.49E+05 7.04E+05 1.45E+05 8.58E+04 3.37E+06 5.49E+05 5.67E+05 1.78E+05 1.26E+05 4.13E+05 1.66E+05 4.51E+05 5.05E+05 3.15E+05 8.34E+05 6.81E+05 1.18E+05 2.4E+05 3.27E+05 3.35E+05 2.89E+05 2.62E+05 3.05E+05 2.83E+05 6.58E+05 5.09E+05 2.83E+05 3.06E+05 4.14E+05 3.14E+05 4.27E+05 6.63E+05 2.26E+05 2.13E+06 2.54E+05 4.35E+05 3.63E+05 2.24E+05 2.13E+05 1.82E+05 6.45E+05 3.76E+05 6.69E+05 Bis(2-chloroethyl)ether_2 4.78E+04 5.67E+03 3.44E+05 3.81E+03 6.73E+04 6.51E+04 2.58E+05 1.45E+05 3.81E+04 1.98E+05 8.2E+03 4.07E+03 1.13E+06 1.45E+04 1.66E+05 2.02E+04 1.29E+04 9.46E+03 1.81E+04 1.74E+04 9.42E+03 1.27E+04 2.19E+04 6.69E+04 1.6E+03 1.29E+04 4.37E+03 2.33E+03 4.14E+03 1.46E+05 3.82E+04 2.86E+04 1.37E+05 1.18E+05 1.7E+04 3.05E+04 1.84E+04 2.62E+03 4.87E+03 1.16E+04 2.83E+04 3.01E+05 1.46E+04 3.53E+04 1.77E+03 3.86E+04 1.18E+04 1.05E+04 6.36E+03 1.7E+04 6.82E+03 Bombykal 4.55E+05 7.72E+04 1.78E+04 1.74E+04 2.91E+04 4.01E+04 3.22E+04 5.22E+04 1.41E+05 8.66E+04 8.49E+04 1.72E+04 2.24E+04 5.11E+04 3.26E+04 8.35E+03 6.17E+04 9.65E+03 6.5E+04 8.03E+04 7.94E+04 1E+06 2.4E+04 8.88E+04 7.97E+04 1.42E+04 1.05E+05 4.56E+04 1.17E+05 3.69E+04 1.91E+05 6.17E+04 1.17E+04 3.27E+05 4.29E+04 1.79E+05 2.99E+04 1.46E+05 1.19E+05 5.64E+04 1.2E+05 1.79E+05 1.02E+05 3.62E+04 1.98E+05 1.1E+05 4.4E+06 1.89E+04 9.24E+04 1.26E+05 2.91E+04 Boschnialactone_1 3.06E+05 1.37E+05 3.47E+05 2.31E+05 1.53E+05 3.13E+05 3.05E+05 2.49E+05 3.24E+05 2.67E+05 3.86E+05 3.06E+05 3.1E+05 2.93E+05 2.08E+05 3.14E+05 2.7E+05 2.43E+05 2.14E+05 2.92E+05 1.78E+05 2.72E+05 3.13E+05 2.35E+05 3.09E+05 3.53E+05 2.32E+05 2.12E+05 1.87E+05 2.85E+05 3.28E+05 3E+05 1.79E+05 2.95E+05 3.03E+05 2.47E+05 2.71E+05 3.09E+05 2.97E+05 3.01E+05 3.24E+05 2.88E+05 1.54E+05 2.66E+05 1.19E+05 2.82E+05 2.1E+05 3.85E+05 3.11E+05 8.5E+04 2.64E+05 Boschnialactone_2 1.89E+05 3.05E+05 2.22E+05 2.22E+05 3.42E+05 2.41E+05 2.66E+05 1.99E+05 2.8E+05 3.08E+05 3.03E+05 2.8E+05 3.16E+05 1.79E+05 2.64E+05 1.93E+05 2.68E+05 2.47E+05 3.04E+05 2.75E+05 7.07E+04 2.43E+05 2.93E+05 2.43E+05 2.86E+05 2.2E+05 2.62E+05 3.45E+05 3.42E+05 2.91E+05 3.16E+05 2.49E+05 3.77E+05 2.91E+05 2.35E+05 3.06E+05 3.21E+05 1.57E+05 2.94E+05 2.72E+05 3.89E+05 3.27E+05 3.07E+05 2.96E+05 2.92E+05 3.07E+05 2.57E+05 2.64E+05 3.09E+05 2.73E+05 1.38E+05 Botrydial_1 4.91E+06 4.85E+06 4.23E+06 4.25E+06 4.49E+06 4.52E+06 4.21E+06 4.21E+06 4.17E+06 4.55E+06 4.61E+06 4.39E+06 4.51E+06 4.12E+06 4.43E+06 4.22E+06 4.18E+06 3.92E+06 4.32E+06 4.24E+06 4E+06 4.36E+06 3.92E+06 4.03E+06 4.09E+06 4.08E+06 3.98E+06 4.19E+06 4.02E+06 4.13E+06 3.84E+06 3.97E+06 4.03E+06 4.32E+06 3.92E+06 4E+06 4.04E+06 4.01E+06 3.81E+06 4.05E+06 4.16E+06 3.95E+06 3.93E+06 4.26E+06 3.98E+06 4.01E+06 4.88E+06 3.95E+06 4.23E+06 4E+06 4.72E+06 Botrydial_2 3.33E+05 3.39E+05 3.86E+05 2.95E+05 3.82E+05 3.14E+05 2.97E+05 3.11E+05 2.78E+05 3.34E+05 2.86E+05 3.18E+05 3.33E+05 3.67E+05 3.52E+05 3.12E+05 3.35E+05 2.84E+05 3.87E+05 2.73E+05 3.41E+05 2.7E+05 3.32E+05 3.27E+05 2.99E+05 3.32E+05 3.4E+05 2.61E+05 3.17E+05 3.04E+05 2.85E+05 2.94E+05 3.16E+05 3.28E+05 2.76E+05 2.71E+05 2.89E+05 2.71E+05 2.75E+05 2.98E+05 2.72E+05 2.24E+05 3.46E+05 3.26E+05 2.6E+05 2.77E+05 3.04E+05 2.82E+05 1.28E+05 3.46E+05 3.35E+05 Buddledin A_1 2.37E+06 2.4E+06 1.81E+06 1.88E+06 1.88E+06 1.8E+06 1.86E+06 1.92E+06 1.98E+06 1.98E+06 1.83E+06 1.96E+06 1.95E+06 1.85E+06 2.02E+06 1.91E+06 1.98E+06 1.83E+06 2.03E+06 1.96E+06 1.94E+06 1.88E+06 1.84E+06 1.93E+06 1.81E+06 1.87E+06 1.8E+06 1.92E+06 1.84E+06 1.76E+06 2.22E+06 1.85E+06 1.76E+06 1.81E+06 1.8E+06 1.89E+06 1.76E+06 1.68E+06 1.79E+06 1.79E+06 1.77E+06 1.88E+06 1.79E+06 1.82E+06 1.83E+06 1.95E+06 1.95E+06 1.78E+06 1.75E+06 1.94E+06 2.21E+06 Buddledin A_2 1.79E+06 1.74E+06 1.52E+06 1.56E+06 1.8E+06 1.73E+06 1.28E+06 1.99E+06 1.85E+06 1.76E+06 1.7E+06 1.77E+06 1.95E+06 1.75E+06 1.8E+06 1.79E+06 1.78E+06 1.94E+06 1.66E+06 1.78E+06 1.9E+06 1.78E+06 1.71E+06 1.81E+06 1.75E+06 1.81E+06 1.77E+06 1.73E+06 1.73E+06 1.47E+06 1.8E+06 1.76E+06 1.6E+06 1.68E+06 1.68E+06 1.65E+06 1.74E+06 1.82E+06 1.63E+06 1.72E+06 1.61E+06 1.67E+06 1.72E+06 1.72E+06 1.73E+06 1.63E+06 2.2E+06 1.66E+06 1.75E+06 1.7E+06 1.71E+06 Buddledin A_3 1.69E+06 1.8E+06 1.7E+06 1.66E+06 1.78E+06 1.78E+06 1.58E+06 1.87E+06 1.81E+06 1.84E+06 1.7E+06 1.76E+06 1.79E+06 1.81E+06 1.77E+06 1.81E+06 1.81E+06 1.79E+06 1.79E+06 1.79E+06 1.8E+06 1.7E+06 1.78E+06 1.79E+06 1.73E+06 1.71E+06 1.68E+06 1.67E+06 1.66E+06 1.64E+06 1.7E+06 1.67E+06 1.56E+06 1.69E+06 1.51E+06 1.55E+06 1.52E+06 1.59E+06 1.49E+06 1.55E+06 1.48E+06 1.55E+06 1.57E+06 1.53E+06 1.56E+06 1.62E+06 1.7E+06 1.61E+06 1.57E+06 1.57E+06 1.7E+06 Buprenorphine 2.04E+07 4.46E+06 2.92E+06 6.37E+06 2.51E+06 2.97E+06 3.11E+06 3.45E+05 2.92E+06 3.99E+06 7.74E+06 1.12E+07 1.38E+06 3.41E+06 1.85E+06 5.33E+06 8.13E+06 2.19E+06 2.01E+06 4.93E+06 5.97E+06 2.24E+07 6.11E+06 4.13E+06 6.13E+06 4.1E+06 3.15E+06 4.31E+06 5.82E+06 6.43E+06 3.65E+06 3.78E+06 1.25E+06 6.92E+06 2.28E+06 9.3E+06 6.11E+06 1.57E+07 1.45E+07 4.01E+06 1.67E+07 2.38E+06 4.43E+06 1.7E+06 5.09E+06 1.24E+07 7.56E+07 5.71E+06 2.8E+06 1.04E+07 7.84E+06 Burseran 7.91E+05 7.61E+05 9.27E+05 6.69E+05 4.57E+05 5.16E+05 6.64E+05 6.05E+05 6.46E+05 7.23E+05 6.47E+05 6.8E+05 4.6E+05 6.24E+05 5.51E+05 6.22E+05 5.12E+05 5.06E+05 4.37E+05 5.12E+05 4.43E+05 7.03E+05 6.98E+05 3.79E+05 3.69E+05 4.67E+05 4.75E+05 5.2E+05 5.44E+05 4.07E+05 5.59E+05 3.71E+05 4.35E+05 4.27E+05 3.91E+05 6.42E+05 4.23E+05 5.57E+05 5.6E+05 4.21E+05 5.09E+05 4.7E+05 4.71E+05 3.86E+05 4.24E+05 6.27E+05 1.47E+06 5.41E+05 4.91E+05 5.43E+05 6.73E+05 C20913 3.96E+05 4.63E+05 1.7E+05 4.87E+05 3.03E+05 4.77E+05 4.35E+05 4.13E+05 2.19E+05 4.44E+05 2.25E+05 3.63E+05 4.72E+05 3.57E+05 4.6E+05 4.64E+05 1.82E+05 4.23E+05 4.03E+05 1.72E+05 4.55E+05 4.09E+05 4.5E+05 3.32E+05 4.44E+05 3.65E+05 2.04E+05 3.79E+05 4.23E+05 2.05E+05 2.9E+05 4.48E+05 2.89E+05 1.74E+05 1.67E+05 3.85E+05 3.97E+05 4.22E+05 1.72E+05 3.31E+05 2.78E+05 2.97E+05 1.93E+05 3.71E+05 3.02E+05 1.25E+05 3.6E+05 2.29E+05 2.46E+05 3.02E+05 3.63E+05 Calcitriol 3.04E+05 1.85E+03 1.9E+04 0 3.66E+05 7.11E+03 0 1.28E+03 6.21E+04 6.18E+04 3.11E+03 1.55E+03 0 2.01E+04 3.38E+03 2.41E+05 1.04E+05 1E+05 1.91E+03 3.18E+05 8.45E+04 5.98E+04 3.25E+04 2.18E+03 2.08E+05 1.04E+04 1.68E+05 1.42E+03 4.64E+04 0 1.26E+04 3.51E+03 1.21E+04 8.59E+04 8.18E+04 2.2E+04 2.52E+04 6.19E+04 2.72E+05 5.54E+03 2.48E+05 1.45E+03 1E+04 0 2.05E+03 4.48E+05 2.44E+06 1.03E+05 1.37E+04 7.04E+03 2.64E+03 Calcium salicylate 1.1E+07 1.05E+07 4.56E+06 1.09E+07 9.97E+06 6.69E+06 6.09E+06 7.4E+06 2.96E+06 7.36E+06 7.27E+06 9.66E+06 5.03E+06 1.07E+07 9.69E+06 3.45E+06 9.69E+06 3.59E+06 6.29E+06 1.02E+07 5.64E+06 7.02E+06 4.97E+06 4.63E+06 9.48E+06 1.05E+07 8.51E+06 4.71E+06 9.13E+06 5.34E+06 6.63E+06 1.2E+07 3.42E+06 7.46E+06 1.11E+07 4.07E+06 6.97E+06 1.16E+07 1.4E+07 1.05E+07 9E+06 6.76E+06 4.39E+06 4.69E+06 5.47E+06 7.72E+06 7.22E+06 5.62E+06 1.01E+07 5.98E+06 8.93E+06 Callytriol C 1E+07 8.51E+06 8.81E+06 9.03E+06 8.47E+06 8.16E+06 8.49E+06 4.08E+06 8.7E+06 8.6E+06 8.58E+06 2.79E+06 8.46E+06 8.43E+06 8.7E+06 8.64E+06 7.99E+06 8.24E+06 8.11E+06 1.38E+06 7.52E+05 9.93E+06 8.07E+06 8.42E+06 7.87E+06 4.58E+06 1.32E+06 2.93E+06 8.42E+06 1.17E+06 7.91E+06 7.93E+06 7.5E+06 1.27E+06 2.14E+06 3E+06 7.51E+06 1.89E+06 9.79E+05 1.53E+06 7.24E+06 2.33E+06 7.1E+06 7.64E+06 7.64E+06 3.21E+06 9.68E+06 2.19E+06 4.82E+05 9.47E+05 9.15E+06 Calystegin B2_1 6.26E+06 5.41E+06 4.87E+06 4.35E+06 1.69E+06 3.64E+06 8.68E+06 1.02E+07 2.36E+06 2.04E+06 2.75E+06 4.06E+06 2.71E+06 2.91E+06 2.72E+06 2.66E+06 2.69E+06 4.19E+06 4.29E+06 2.87E+06 8.66E+06 6.27E+06 3.03E+06 4.65E+06 1.83E+06 1.8E+06 2.49E+06 5.74E+06 2.36E+06 2.75E+06 2.68E+06 1.41E+06 3.31E+06 5.97E+06 2.25E+06 3.21E+06 4.66E+06 5.61E+06 1.72E+06 1.92E+06 2.18E+06 6.72E+06 1.11E+07 2.92E+06 6.06E+06 1.66E+06 6.27E+05 2.53E+06 2.59E+06 4.4E+06 1.13E+07 Calystegin B2_2 7.55E+05 4.45E+05 6.96E+05 3.73E+05 6.67E+05 6.88E+05 8.79E+05 5.44E+05 6.93E+05 4.47E+05 2.81E+05 4.62E+05 2.15E+06 7.87E+05 7.07E+05 5.86E+05 5.21E+05 1.58E+05 3.65E+05 6.43E+05 4.08E+05 1.75E+05 8.56E+04 3.94E+05 1.28E+05 7.03E+05 7.04E+05 3.78E+05 4.03E+05 9.23E+05 8.32E+05 1.28E+05 4.47E+05 5.8E+05 9.67E+05 4.93E+05 4.88E+05 3.43E+05 1.05E+06 5.95E+05 3.87E+05 1.29E+06 5.73E+05 2.91E+05 1.73E+05 4.33E+05 4.36E+05 1.76E+05 6.19E+05 5.24E+05 5.8E+05 Calystegin B2_3 2.21E+05 2.4E+05 2.88E+05 3.36E+05 1.32E+05 2.47E+05 1.31E+05 1.13E+05 2.03E+05 1.21E+05 8E+04 3.57E+05 5.69E+04 1.01E+05 7.27E+04 2.02E+05 2.64E+05 3.57E+03 3.56E+05 1.88E+05 2.52E+05 2.28E+05 1.57E+03 1.92E+05 1.6E+04 1.18E+05 1.79E+05 3.56E+05 1.17E+05 1.22E+05 2.35E+05 5.21E+03 6.08E+03 1.96E+05 2.21E+05 4.5E+05 2.56E+05 1.59E+05 1.33E+05 1.7E+05 8.34E+03 1.92E+05 1.18E+05 3.45E+04 2.11E+05 3.05E+04 9.42E+04 4.19E+04 9.04E+04 1.64E+05 3.47E+05 Calystegin B2_4 4.03E+04 2.47E+03 2.06E+03 2.09E+03 2.3E+03 5.01E+03 3.41E+03 2.22E+03 1.22E+03 1.99E+03 2.05E+03 3.05E+03 2.98E+03 5.08E+05 8.48E+04 4.76E+03 1.05E+04 2.23E+03 2.21E+03 2.83E+03 2.03E+03 1.74E+04 2.3E+03 1.01E+04 1.12E+03 2.17E+03 2.86E+03 3.51E+03 3.5E+03 1.07E+06 1.25E+05 2.5E+03 1.07E+04 2.49E+03 1.09E+05 2.45E+03 2.95E+03 2.32E+03 3.31E+03 2.65E+03 1.18E+04 2.32E+03 1.85E+03 1.32E+04 2.92E+05 1.07E+03 1.89E+03 2.47E+03 3.88E+03 2.24E+03 2.2E+05 Carbamazepine 1.59E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.49E+03 0 0 0 0 0 0 0 1.53E+03 0 0 0 0 0 0 1.73E+03 0 0 0 0 0 2.57E+03 0 0 0 0 0 0 0 1.74E+03 Carbamorph 8.61E+03 1.98E+03 1.12E+03 0 2.73E+03 1.95E+03 2.29E+03 2.3E+03 1.95E+03 2.35E+03 2.42E+03 2.26E+03 4.58E+03 1.03E+04 2.55E+03 2.15E+03 1.95E+03 3.21E+03 2.1E+03 2.28E+03 1.76E+03 1.95E+03 2.02E+03 3.1E+03 0 2.47E+03 1.67E+03 0 2.28E+03 3.97E+03 1.33E+03 2.66E+03 1.98E+03 1.05E+05 2E+03 2.47E+03 2.42E+03 6.2E+03 1.92E+03 0 3.16E+03 0 1.93E+03 2.22E+03 0 1.75E+03 2.97E+03 1.67E+03 4.58E+04 1.28E+03 1.98E+03 Carpacin 3.15E+04 6.4E+03 1.41E+04 3.11E+03 2.09E+03 4.47E+03 5.28E+04 2.14E+03 1.58E+03 3.38E+03 8.75E+05 3.69E+04 1.1E+04 1.87E+03 934 1.9E+03 3.98E+03 7.58E+03 1.77E+04 1.47E+03 1.85E+03 1.55E+05 4.71E+03 3.68E+04 1.81E+05 1.36E+04 7.03E+03 1.96E+03 1.54E+05 2.13E+03 8.18E+03 1.77E+04 5.17E+03 1.33E+03 3.71E+03 1.59E+03 2.72E+04 1.78E+03 8.58E+03 2.14E+03 6.09E+03 3.9E+03 1.34E+05 1.66E+03 1.69E+05 2.27E+04 5.61E+06 1.49E+04 5.56E+03 5.68E+03 4.2E+03 Castanospermine_1 3.14E+06 4.81E+06 3.26E+06 7.1E+06 2.99E+06 3.78E+06 3.48E+06 5.68E+06 3.42E+06 3.25E+06 1.13E+06 3.72E+06 2.36E+06 3.32E+06 1.83E+06 2.63E+06 3.97E+06 7.17E+05 6.44E+06 3.05E+06 4.35E+06 3.76E+06 3.53E+05 4.04E+06 3.04E+05 3.54E+06 4.14E+06 8.09E+06 3.79E+06 3.83E+06 4.97E+06 5.65E+05 7.72E+05 3.19E+06 5.79E+06 7.18E+06 3.46E+06 3.97E+06 3.29E+06 2.69E+06 1.49E+06 3.05E+06 3.51E+06 1.42E+06 4.27E+06 6.41E+05 1.33E+06 4.57E+05 2.96E+06 4.11E+06 4.74E+06 Castanospermine_2 6.85E+05 4.59E+05 6.79E+05 3.08E+05 7.4E+05 5.71E+05 6.31E+05 5.42E+05 6.81E+05 4.39E+05 4.05E+05 1.12E+05 7E+05 5.51E+05 4.19E+05 5.6E+05 5.52E+05 1.28E+05 3.84E+05 5.78E+05 4.45E+05 1.57E+05 2.14E+05 4.14E+05 6.19E+04 6.27E+05 6.56E+05 3.38E+05 4.03E+05 6.09E+05 6.55E+05 9.84E+04 2.23E+05 8.25E+05 2.57E+05 1.86E+05 3.62E+05 3.83E+05 9.29E+05 5.57E+05 3.42E+05 6.77E+05 5.04E+05 2.52E+05 1.4E+05 2.94E+05 8.98E+05 4.77E+04 5.05E+05 4.56E+05 5.87E+05 Castanospermine_3 1.08E+05 7.45E+04 1.22E+04 7.55E+04 5.7E+04 1.1E+05 6.43E+04 2.77E+04 2.57E+04 2.34E+04 4.49E+04 6.3E+04 3.98E+04 1.46E+05 8.84E+04 4.68E+04 8.13E+04 3.74E+03 5.94E+04 9.03E+04 6.57E+04 3.7E+04 9.84E+04 5.78E+03 1.29E+05 8.61E+04 5.59E+04 2.2E+04 1.02E+05 8.87E+04 7.61E+04 1.1E+05 2E+04 6.67E+04 1.32E+05 2.64E+04 4.84E+04 9.36E+04 1.91E+05 1.73E+05 1.03E+05 4.46E+04 6.46E+04 3.87E+04 2.07E+04 5.95E+04 9.97E+04 5.97E+04 1.22E+05 6.45E+04 1.46E+05 Catechol_1 9.09E+06 9E+06 6.27E+06 7.42E+06 6.77E+06 1.03E+07 9.35E+06 5.43E+06 6.94E+06 5.21E+06 7.19E+06 7.37E+06 5.89E+06 1.14E+07 7.75E+06 7.52E+06 6.27E+06 5.61E+06 6.93E+06 8.82E+06 5.64E+06 7.4E+06 4.09E+06 7.41E+06 8.13E+06 1.12E+07 7.45E+06 7.57E+06 8.13E+06 1E+07 1.05E+07 1.02E+07 6.05E+06 8.5E+06 1.02E+07 9.48E+06 8.62E+06 1E+07 1.02E+07 9.43E+06 8.27E+06 8.94E+06 5.95E+06 8.54E+06 6.38E+06 8.83E+06 7.83E+06 6.83E+06 8.4E+06 8E+06 9.27E+06 Catechol_2 1.22E+06 3.55E+05 2.21E+05 3.63E+04 8.24E+04 3.23E+05 4.06E+05 1.84E+05 4.67E+04 3.01E+05 4.63E+05 2.57E+05 2.53E+05 3.7E+05 6.95E+05 6.09E+05 1.25E+06 3.76E+05 1.33E+05 2.24E+05 8.73E+05 9.68E+05 1.23E+05 1.06E+05 1.89E+05 3.15E+05 1.21E+05 1.18E+05 1.67E+05 3E+05 7.16E+05 5.4E+05 2.35E+05 3.18E+05 2.63E+05 9.61E+04 9.88E+05 1.52E+06 2.28E+05 4.43E+05 1.26E+06 2.06E+06 1.58E+05 1.83E+05 1.68E+05 7.86E+04 2.71E+05 9.19E+05 2.21E+05 6.86E+04 3.15E+05 CCCP 4.4E+06 4.25E+06 2.43E+06 4.27E+06 4.09E+06 1.2E+06 2.83E+06 3.35E+06 1.89E+06 3.29E+06 3.39E+06 3.95E+06 2.63E+06 4.28E+06 3.87E+06 1.98E+06 3.9E+06 1.98E+06 3.04E+06 4.3E+06 2.84E+06 3.23E+06 2.51E+06 2.35E+06 3.97E+06 4.15E+06 3.72E+06 2.52E+06 3.94E+06 2.69E+06 3.07E+06 4.66E+06 2.08E+06 3.46E+06 4.51E+06 2.37E+06 3.12E+06 4.8E+06 5.58E+06 4.28E+06 3.98E+06 3.25E+06 2.52E+06 2.56E+06 2.83E+06 3.83E+06 3.5E+06 2.84E+06 4.22E+06 3.09E+06 3.64E+06 Cerulenin 1.33E+05 2.99E+04 5.01E+04 8.12E+05 8.18E+03 3.15E+05 6.91E+05 3.9E+04 7.55E+04 4.96E+05 2.45E+04 8.78E+03 7.33E+05 5.22E+04 3.75E+04 2.04E+04 8.86E+04 1.65E+04 1.41E+05 4.37E+04 8.88E+05 1.28E+04 3.21E+05 2.79E+05 1.36E+04 9.13E+05 3.46E+04 6.22E+04 1.11E+04 3.1E+04 2.65E+05 1.21E+05 2.97E+04 1.46E+05 5.38E+04 2.82E+05 2.09E+05 1.8E+04 2.55E+05 2.29E+05 2.26E+04 1.21E+05 5.18E+05 8.02E+05 2.91E+04 8.93E+04 5.69E+04 1.76E+04 4.78E+05 5.78E+04 1.33E+06 Chloromethiuron 1.31E+07 1.36E+07 1.39E+07 1.43E+07 1.41E+07 1.28E+07 1.34E+07 1.47E+07 1.41E+07 1.39E+07 1.39E+07 1.36E+07 1.29E+07 1.38E+07 1.38E+07 1.34E+07 1.4E+07 1.33E+07 1.3E+07 1.41E+07 1.27E+07 1.4E+07 1.34E+07 1.37E+07 1.42E+07 1.36E+07 1.37E+07 1.34E+07 1.36E+07 1.37E+07 1.31E+07 1.43E+07 1.44E+07 1.36E+07 1.38E+07 1.42E+07 1.3E+07 1.37E+07 1.3E+07 1.34E+07 1.41E+07 1.27E+07 1.45E+07 1.3E+07 1.39E+07 1.51E+07 1.19E+07 1.41E+07 1.45E+07 1.42E+07 1.35E+07 Chrysoidine free base 3.13E+04 4.93E+04 2.82E+04 7.59E+04 2.79E+04 4.35E+04 6.04E+04 1.44E+04 4.39E+04 6.5E+03 1.41E+05 7.09E+03 3.93E+04 8.42E+04 4.91E+04 7.35E+03 3.25E+04 1.43E+04 4.3E+03 6.79E+03 7.96E+03 9.05E+04 3.48E+03 9.35E+03 3.34E+04 7.78E+03 1.31E+05 2.56E+04 5.53E+04 1.69E+05 2.84E+04 8.33E+04 1.96E+04 3.95E+04 4.43E+04 3.63E+03 1.67E+03 3.35E+04 3.25E+03 1.2E+04 3.45E+04 1.42E+03 1.07E+04 2.6E+04 6.49E+04 1.17E+04 4.75E+04 9.03E+03 3.88E+03 1.45E+04 4.26E+04 Cidofovir 2.72E+06 5.14E+06 2.55E+06 3.03E+06 3.49E+06 3.05E+06 3.1E+06 3.66E+06 3.43E+06 2.41E+06 3.49E+06 4.07E+06 3.66E+06 2.77E+06 2.36E+06 3.57E+06 3.33E+06 2.51E+06 4.01E+06 3.66E+06 3.3E+06 1.86E+06 3.17E+06 2.65E+06 3.76E+06 2.86E+06 3.18E+06 3.74E+06 2.93E+06 1.63E+06 2.13E+06 4.22E+06 2.43E+06 3.79E+06 2.79E+06 3.54E+06 2.81E+06 2.15E+06 3.36E+06 3.45E+06 2.57E+06 3.52E+06 2.82E+06 2.86E+06 1.84E+06 3.09E+06 3.17E+06 4.18E+06 3.43E+06 4.53E+06 2.02E+06 Cilastatin 1.92E+06 1.7E+05 1.87E+05 3.08E+05 7.93E+04 1.1E+05 2.87E+05 1.58E+04 1.91E+05 3.87E+05 3.3E+05 3.47E+05 3.6E+04 2.32E+05 1.22E+05 1.89E+05 1.59E+05 1.04E+05 9.62E+04 5.28E+04 2.21E+05 6.16E+05 3.37E+04 1.34E+05 1.47E+04 5.15E+04 1.11E+05 6.19E+03 1.45E+05 8.46E+04 2.56E+05 9.84E+04 3.4E+04 2.75E+05 8.93E+03 7.82E+04 1.19E+05 3.07E+05 2.45E+05 2.31E+04 1.23E+05 9.76E+04 9.99E+04 2.33E+04 3.61E+04 2.05E+05 5.74E+06 5.99E+04 1.27E+04 2.85E+05 3.44E+05 Cinnamaldehyde 6.42E+04 1.21E+05 1.91E+05 6.94E+04 9.63E+04 7.46E+04 3.88E+04 3.81E+03 1.23E+05 1.42E+05 1.81E+04 8.69E+04 2.41E+05 2.4E+05 9.77E+04 1.06E+05 2.47E+05 8.51E+04 1.32E+04 1.69E+05 5.27E+04 1.01E+05 7.12E+04 5.57E+04 1.2E+05 6.64E+04 2.12E+04 4.52E+04 3.3E+05 1.62E+05 1.32E+05 1.01E+05 1E+05 2.45E+04 2.61E+05 5.5E+04 9.11E+03 8.11E+04 6.22E+04 1.23E+05 7.11E+04 5.51E+04 4.17E+04 1.84E+05 1.3E+05 1.86E+05 2.01E+05 8.71E+04 1.43E+04 1.5E+05 6.12E+04 cis-1,2-Dihydro-3-ethylcatechol_1 3.23E+05 3.06E+05 5.62E+05 4.29E+05 2.25E+05 4.69E+05 3.98E+05 1.56E+05 4.52E+05 4.79E+05 4.51E+05 4.54E+05 4.05E+05 3.22E+05 2.98E+05 2.51E+05 2.82E+05 2.72E+05 3.01E+05 3.05E+05 3.08E+05 1.78E+05 4.31E+05 2.97E+05 3E+05 2.82E+05 3.86E+05 4.91E+05 3.79E+05 5.51E+05 6.8E+05 3.46E+05 2.65E+05 2.25E+05 3.66E+05 2.4E+05 2.79E+05 3.8E+05 3.35E+05 2.68E+05 3E+05 1.8E+05 2.94E+05 2.84E+05 2.6E+05 2.33E+05 2.54E+05 2.56E+05 4.92E+05 3.84E+05 6.86E+05 cis-1,2-Dihydro-3-ethylcatechol_2 2.17E+05 2.88E+04 7.75E+04 5.7E+04 1.57E+05 1.67E+05 1.01E+05 1.45E+05 1.44E+04 7.88E+04 9.06E+04 1.26E+05 3.03E+05 3.18E+05 2.49E+05 2.26E+05 1.46E+05 1.39E+05 2.21E+05 1.94E+05 9.21E+04 2.5E+05 9.2E+04 1.89E+05 1.98E+05 8.65E+04 6.68E+04 2.85E+05 8.89E+04 1.89E+05 3.84E+04 7.12E+04 4.75E+04 1.67E+05 2.16E+05 1.72E+05 1.91E+05 6.43E+04 1.28E+04 5.64E+04 1.81E+05 1.92E+05 1.34E+05 3E+04 7.27E+04 4.62E+04 2.63E+04 6.23E+04 1.44E+05 9.15E+04 2.31E+05 cis-1,2-Dihydronaphthalene-1,2-diol_1 6.15E+05 4.69E+05 2.26E+05 4.65E+05 2.81E+05 5.8E+05 3.36E+05 6.63E+05 3.79E+05 5.92E+05 2.87E+05 5.39E+05 6.14E+05 3.45E+05 1.86E+05 3.53E+05 6.7E+05 2.03E+05 5.74E+05 6.86E+05 2.41E+05 4.5E+05 3.25E+05 6.58E+05 3.61E+05 6.01E+05 6.18E+05 4.96E+05 6.61E+05 2.77E+05 6.5E+05 6.31E+05 6.53E+05 3.63E+05 3.85E+05 7.11E+05 6.28E+05 3.69E+05 2.23E+05 6.15E+05 3.88E+05 5.46E+05 3.02E+05 6.04E+05 4.98E+05 6.7E+05 1E+06 5.37E+05 4.13E+05 4.01E+05 5.76E+05 cis-1,2-Dihydronaphthalene-1,2-diol_2 3.88E+04 1.08E+05 1.05E+05 1.04E+05 9.86E+04 2.17E+05 8.26E+04 1.26E+05 9.28E+04 6.86E+04 1.35E+05 1.38E+05 2.59E+05 2.45E+04 9.73E+04 1.03E+05 1.17E+04 7.48E+04 5.89E+04 1.33E+05 8.59E+04 6.8E+04 1.3E+05 6.49E+04 7.75E+04 5.87E+04 1.24E+05 6.46E+04 1.16E+05 6E+04 1.12E+05 1.49E+05 6.68E+04 6.45E+04 8.86E+04 1.19E+05 4.65E+04 1.23E+05 6.99E+04 9.54E+04 5.47E+04 1.23E+05 7.81E+04 1.09E+05 9.02E+04 6.45E+04 6.07E+04 4.43E+04 5.41E+04 1.09E+05 5.96E+04 cis-1,2-Dihydronaphthalene-1,2-diol_3 3.24E+04 2.64E+04 5.65E+04 6.26E+04 8.11E+04 8.28E+04 2.53E+04 9.42E+04 1.07E+05 8.22E+04 7.79E+04 3.15E+04 7.38E+04 9.26E+04 1.31E+05 8.56E+04 3.42E+04 9.31E+04 9.84E+04 1.03E+05 9.37E+04 8.28E+04 8.72E+04 8.37E+04 3.75E+04 9.7E+04 9.88E+04 8.07E+04 9.41E+04 1.03E+05 8.42E+04 8.56E+04 3.55E+04 4.72E+04 3.46E+04 1.84E+05 8.62E+04 9.72E+04 7.78E+04 1.07E+05 8.45E+04 7.81E+04 3.93E+04 9.09E+04 9.94E+04 9.84E+04 1.06E+05 7.37E+04 8.89E+04 8.55E+04 8.33E+04 cis-2,3-Dihydroxy-2,3-dihydro-p-cumate 7.4E+03 4.5E+03 3.38E+03 2.9E+03 6.82E+03 2.99E+03 4.49E+03 2.49E+03 3.97E+03 5.67E+03 3.07E+03 1.15E+04 2.98E+03 7.93E+03 1.55E+03 2E+03 3.67E+03 1.51E+03 7.69E+03 4.11E+03 3.03E+03 3.38E+03 4.03E+03 3.98E+03 3.18E+03 3.67E+03 3.39E+03 2.49E+03 2.74E+03 8.18E+03 5.84E+03 5.33E+03 3.69E+03 1.53E+03 6.14E+03 4.27E+03 3.77E+03 4.59E+03 2.83E+03 7.22E+03 3.19E+03 2.95E+03 2.93E+03 2.9E+03 6.51E+03 2.41E+03 7.5E+03 1.73E+03 2.57E+03 2.85E+03 2.89E+03 cis-2-Carboxycyclohexyl-acetic acid_1 1.97E+05 5.69E+04 6.8E+04 9.98E+04 1.48E+05 1.17E+05 1.06E+05 1.69E+05 1.74E+05 1.45E+05 1.32E+05 1.51E+05 1.44E+05 1.69E+05 1.2E+05 4.18E+04 1.73E+05 1.48E+05 3.84E+04 1.23E+05 1.83E+05 1.05E+05 1.48E+05 1.46E+05 1.36E+05 1.56E+05 1.65E+05 9.93E+04 9.76E+04 7.63E+04 1.58E+05 2E+05 9.41E+04 1.46E+05 1.7E+05 1.11E+05 8.76E+04 1.8E+05 1.89E+05 5.06E+04 1.5E+05 1.07E+05 1.26E+05 1.1E+05 5.3E+04 5.3E+04 2E+05 4.74E+04 8.12E+04 1.15E+05 1.35E+05 cis-2-Carboxycyclohexyl-acetic acid_2 2.47E+05 3.98E+04 9.65E+04 8.74E+04 1.45E+05 4.77E+04 9.42E+04 6.72E+04 1.55E+05 1.25E+05 1.89E+05 6.39E+04 8.09E+04 1.46E+05 1.23E+05 9.45E+04 1.3E+05 1.22E+05 8.96E+04 2.98E+05 9.63E+04 1.11E+05 1.13E+05 8.58E+04 1.11E+05 1.11E+05 1.17E+05 5.2E+04 1.18E+05 1.37E+05 1.51E+05 9.25E+04 1.02E+05 3.79E+05 1.5E+05 1.05E+05 9.11E+04 1.09E+05 6.92E+04 1.04E+05 1.26E+05 6.64E+04 6.52E+04 8.74E+04 1.24E+05 1.58E+05 1.71E+05 9.31E+04 2.63E+05 9.67E+04 1.5E+05 cis-Aconitate 3.58E+04 4.84E+04 2.57E+04 1.29E+04 7.94E+03 4.03E+04 4.33E+04 1.4E+03 1.51E+04 4.74E+04 9.39E+04 2.47E+04 4.92E+03 5.35E+04 1.51E+04 4.79E+04 1.55E+04 4.83E+03 3.66E+03 2.26E+04 1.22E+04 9.3E+04 3.84E+04 2.5E+04 5.05E+04 3.24E+04 9.25E+03 1.01E+04 1.41E+04 2.95E+04 6.21E+04 4.03E+04 1.6E+04 7.94E+03 8.23E+04 2.12E+04 3.61E+04 3.51E+04 6.78E+03 9.01E+03 4.72E+04 4.37E+04 3.73E+04 1.15E+04 2.42E+04 7.1E+04 6.44E+04 9.16E+03 1.16E+04 9.05E+03 5.6E+04 CITRATE 5.57E+04 6.99E+04 8.16E+04 1.39E+04 3.04E+04 1.26E+05 1.4E+05 1.71E+04 5.32E+04 1.25E+05 1.64E+05 8.83E+04 6.67E+04 1.06E+05 6.23E+04 6.21E+04 5.96E+04 6.08E+04 6.03E+04 6.03E+04 8.81E+03 1.79E+05 1.18E+05 4.47E+04 7.66E+04 5.28E+04 3.2E+04 3.71E+04 2.37E+04 1.92E+05 6.96E+04 8.89E+04 4.88E+04 5.69E+04 1.73E+05 5.41E+04 1.35E+05 5.05E+04 5.13E+04 4.96E+04 1.37E+05 1.2E+05 6.22E+04 5.69E+04 6.01E+04 1.06E+05 2.69E+05 8.21E+04 2.73E+04 5.85E+04 1.09E+05 CITRULLINE 3.45E+07 2.32E+07 2.69E+07 1.91E+07 2.69E+07 3.1E+07 2.29E+07 1.44E+07 4.45E+07 9.74E+06 2.74E+07 2.96E+07 3E+07 1.57E+07 1.74E+07 2.76E+07 2.15E+07 2.67E+07 1.46E+07 1.7E+07 2.07E+07 1.75E+07 2.53E+07 2.05E+07 2.19E+07 1.76E+07 1.72E+07 2.41E+07 2.77E+07 2.2E+07 1.32E+07 1.54E+07 2.44E+07 2.47E+07 1.19E+07 1.62E+07 1.36E+07 1.08E+07 2.07E+07 1.91E+07 1.48E+07 1.82E+07 1.6E+07 2.72E+07 2.29E+07 1.25E+07 3E+07 1.91E+07 2.16E+07 1.43E+07 2.85E+07 CMN 131 9.04E+05 1.2E+06 1.39E+06 7.05E+05 7.15E+05 6.71E+05 1.16E+06 2.13E+05 5.51E+05 5.56E+05 6.63E+05 3.96E+05 5.23E+05 6.11E+05 3.31E+05 2.61E+05 4.89E+05 1.24E+06 5.69E+05 6.68E+05 5.12E+05 6.02E+05 5.97E+05 9.2E+05 7.41E+05 6.58E+05 4.6E+05 9.41E+05 8.4E+05 5.88E+05 2.64E+05 5.24E+05 1.52E+06 7.19E+05 3.85E+05 6.72E+05 7.33E+05 7.85E+05 4.87E+05 1.08E+06 2.95E+05 1.03E+06 9.32E+05 5.59E+05 6.88E+05 8.72E+05 8.68E+05 3.34E+05 3.26E+05 7.73E+05 1.17E+06 Coenzyme B 3.6E+05 7.43E+05 2.52E+06 9.05E+05 7.43E+05 6.69E+05 1.31E+06 2.66E+06 7.32E+05 1.15E+06 2.52E+06 3.26E+05 1.49E+06 1.51E+06 2.86E+06 1.48E+06 9.27E+05 3.22E+06 6.22E+05 7.27E+05 4.31E+05 3.05E+05 2.42E+06 3.76E+05 1.27E+06 4.56E+05 7.24E+05 6.06E+05 6.77E+05 2.03E+06 8.27E+05 2E+06 4.23E+06 4.05E+05 6.94E+05 8.64E+05 2.25E+05 2.77E+05 9.79E+05 4.71E+05 2.19E+06 2.66E+05 4.44E+05 2E+06 2.02E+05 1.42E+06 1.17E+06 2.07E+06 2.07E+05 7.41E+05 2.71E+05 Coniferyl alcohol_1 3.42E+06 7.94E+05 4.85E+06 1.19E+06 8.4E+05 6.15E+06 6.91E+05 1.27E+06 1.77E+06 1.69E+06 7.7E+05 8.14E+05 6.98E+06 1.19E+06 1.97E+06 1.7E+06 1.5E+06 1.05E+06 9.38E+05 1.23E+06 8.38E+05 3.72E+06 7.36E+06 9.5E+05 5.41E+05 8.88E+05 9.28E+05 3.75E+06 8.3E+05 1.04E+06 2.24E+06 7.19E+05 1.11E+06 3.08E+06 2.27E+06 3.74E+06 1.16E+06 2.11E+06 1.58E+06 3.85E+05 8.44E+05 1.51E+06 8.5E+05 3.31E+06 1.1E+06 2.44E+06 7.29E+05 5.71E+05 8.07E+05 8.02E+05 8.09E+05 Coniferyl alcohol_2 2.21E+05 2.55E+05 9.08E+04 8E+03 2.44E+05 7.41E+05 3.59E+05 6.23E+04 8.42E+04 4.33E+04 1.36E+05 6.56E+04 2.42E+06 2.87E+05 1.01E+05 4.43E+04 1.08E+05 4.82E+04 1.92E+05 2.25E+04 3.04E+05 2.97E+05 3.96E+05 6.55E+04 2.89E+04 3.12E+05 1.64E+05 1.25E+05 4.04E+04 1.18E+05 2.97E+05 1.81E+05 1.04E+05 1.12E+05 2.52E+05 1.89E+05 2.53E+04 2.82E+04 2.8E+04 1.33E+05 7.64E+03 1.48E+05 1.18E+05 1.75E+05 1.83E+05 1.04E+04 3.71E+05 1.09E+05 3.23E+04 2.27E+05 2.36E+05 Corticosterone 1.56E+05 3.05E+03 4.85E+03 5.59E+05 2.62E+03 6.94E+04 1.97E+04 3.84E+04 1.75E+04 4.19E+05 2.76E+04 3.93E+04 7.42E+04 2.1E+04 1.55E+05 1.56E+04 9.56E+03 2.24E+03 6.68E+04 7.25E+04 8.38E+03 1.36E+05 8.85E+04 2.61E+04 1.66E+04 905 1.05E+04 2.8E+04 6.71E+04 1.7E+04 1.3E+03 5.88E+04 4.15E+03 7.92E+04 4.41E+04 1.31E+04 2.72E+04 1.6E+06 1.61E+05 1.83E+04 6.41E+04 5.7E+04 1.75E+04 2.33E+04 3.42E+04 9.81E+04 1.55E+05 3.27E+04 3.47E+04 1.78E+03 2.21E+04 Cortisol 1.34E+07 5.33E+06 6.49E+06 1.13E+07 3.92E+06 4.57E+06 7.85E+06 1.46E+06 5.68E+06 1.26E+07 1.2E+07 4.68E+06 5.49E+06 7.9E+06 2.85E+06 5.16E+06 4.03E+06 4.22E+06 1.86E+06 1.89E+06 9.75E+06 5.38E+06 6E+06 1.21E+07 1.05E+07 5.54E+06 2.58E+06 3.66E+06 4.92E+06 3.79E+06 2.71E+06 9.85E+06 3.82E+06 2.01E+06 2.2E+06 3.42E+06 1.08E+07 1.01E+07 4.53E+06 9.13E+06 2.73E+06 5.71E+06 5.5E+06 3.79E+06 4.31E+06 8.72E+06 1.66E+07 3.67E+06 4.55E+06 3.95E+06 1.13E+07 Cortisone 1.11E+06 1.06E+06 1.08E+06 1.39E+06 7.96E+05 9.81E+05 1.13E+06 4.92E+05 8.04E+05 1.12E+06 8.75E+05 1.09E+06 9.45E+05 7.21E+05 8.66E+05 7.47E+05 7.48E+05 8.89E+05 1.59E+07 7.88E+05 6.36E+05 6.99E+05 9.1E+05 8.09E+05 6.72E+05 8.86E+05 6.32E+05 6.72E+05 6.9E+05 6.76E+05 7.75E+05 9.52E+05 8.78E+05 6.78E+05 5.39E+05 6.65E+05 8.08E+05 8.29E+05 6.95E+05 8.32E+05 7.18E+05 8.33E+05 6.64E+05 7.26E+05 6.77E+05 8.27E+05 1.02E+06 7.66E+05 7.49E+05 7.1E+05 1.13E+06 Coumarin_1 3.03E+06 2.05E+06 2.77E+06 1.99E+06 1.84E+06 1.72E+06 3.19E+06 1.38E+06 2.45E+06 1.28E+06 2.51E+06 2.56E+06 1.19E+06 2.12E+06 2.11E+06 1.76E+06 1.96E+06 2.17E+06 1.87E+06 1.97E+06 1.39E+06 6.53E+05 2.44E+06 1.33E+06 1.95E+06 2.83E+06 1.93E+06 1.8E+06 1.93E+06 1.87E+06 1.75E+06 1.82E+06 2.01E+06 2.44E+06 1.55E+06 1.68E+06 1.06E+06 1.07E+06 2.59E+06 2.05E+06 1.99E+06 2.16E+06 2.59E+06 2.59E+06 1.16E+06 1.26E+06 2.46E+06 2.1E+06 1.76E+06 2.02E+06 2.34E+06 Coumarin_2 2.1E+05 8.95E+03 1.24E+04 2.91E+03 2.43E+04 1.7E+04 2.75E+04 2.35E+04 9.11E+03 2.35E+04 9.33E+04 1.58E+04 9.76E+04 1.27E+05 3.33E+04 5.2E+03 2.15E+04 2.66E+04 2.52E+04 3.8E+04 1.25E+04 4.9E+04 2.14E+04 6.51E+04 7.17E+03 1.44E+04 2.33E+04 4.65E+03 2.66E+04 2.14E+05 7.41E+04 3.22E+04 5.74E+04 7.4E+04 3.92E+04 6.71E+04 2.18E+04 5.52E+03 8.54E+03 8.94E+04 3.07E+04 6.87E+03 1.98E+04 9.17E+04 4.72E+04 1.46E+04 9.5E+03 9.84E+03 2.18E+04 1.04E+04 1.32E+05 CREATINE 3.98E+08 3.27E+08 4.94E+08 4.81E+08 3.19E+08 2.39E+08 3.46E+08 2.55E+08 4.93E+08 4.45E+08 3.41E+08 3.34E+08 1.07E+08 5.5E+08 4.73E+08 5.18E+08 7E+08 3.83E+08 3.92E+08 3.79E+08 4.76E+08 2.93E+08 2.67E+08 2.91E+08 4.77E+08 5.46E+08 3.59E+08 2.43E+08 7.23E+08 2.98E+08 3.72E+08 7.06E+08 3.12E+08 4E+08 4.18E+08 2.85E+08 3.63E+08 5.26E+08 5.46E+08 7.63E+08 2.13E+08 4.13E+08 2.97E+08 4.3E+08 4.42E+08 4.12E+08 5.06E+08 3.11E+08 7.88E+08 3.53E+08 4.82E+08 Creatine 1.15E+06 1.14E+06 1.06E+06 1.18E+06 1.02E+06 1.76E+06 2.16E+06 1.08E+06 1.71E+06 9.65E+05 1.12E+06 1.05E+06 1.4E+06 9.7E+05 9.39E+05 9.03E+05 1.12E+06 8.22E+05 9.95E+05 1.03E+06 1.07E+06 9.22E+05 8.25E+05 9.5E+05 1.37E+06 2.06E+06 9.58E+05 9.64E+05 9.89E+05 8.62E+05 9.36E+05 8.32E+05 7.17E+05 9.28E+05 1.05E+06 1.54E+06 9.01E+05 9.75E+05 1.04E+06 1.05E+06 9.16E+05 9.16E+05 8.57E+05 8.16E+05 1.55E+06 1.65E+06 1.25E+06 7.88E+05 9.52E+05 9.13E+05 5.17E+05 CREATININE 6.64E+08 5.75E+08 7.03E+08 6.05E+08 6.34E+08 7.93E+08 6.41E+08 3.75E+08 6.05E+08 6.45E+08 5.65E+08 7.17E+08 7.46E+08 6.28E+08 5.03E+08 5.62E+08 6.45E+08 6.54E+08 7.32E+08 5.42E+08 7.74E+08 7.5E+08 7.89E+08 6.3E+08 6.35E+08 6.69E+08 5.78E+08 5.66E+08 8.13E+08 6.31E+08 6.53E+08 8.1E+08 6.96E+08 5.02E+08 6.25E+08 5.32E+08 6.15E+08 5.89E+08 5.93E+08 8.9E+08 6.61E+08 6.47E+08 6.09E+08 5.47E+08 7.41E+08 6.21E+08 6.46E+08 6.36E+08 5.78E+08 5.62E+08 8.37E+08 Crotanecine_1 8.51E+05 1.49E+06 4.66E+06 1.27E+06 1.7E+06 1.41E+06 3.46E+06 7.5E+06 1.56E+06 3.52E+06 7.57E+06 8.74E+05 6.23E+06 4.08E+06 7.44E+06 4.42E+06 1.86E+06 6.32E+06 1.26E+06 1.72E+06 7.47E+05 3.59E+05 6.27E+06 6.96E+05 2.54E+06 1.22E+06 2.92E+06 1.29E+06 1.27E+06 6.22E+06 2.92E+06 5.33E+06 8.3E+06 1.31E+06 1.76E+06 3.74E+06 5.03E+05 6.97E+05 3.17E+06 1.16E+06 5.59E+06 7.89E+05 1.05E+06 6.6E+06 4.65E+05 3.87E+06 3.58E+06 6.9E+06 5.07E+05 2.79E+06 5.39E+05 Crotanecine_2 4.39E+03 1.93E+03 1.13E+04 3.91E+03 2.75E+03 5.97E+03 3.11E+03 6.46E+03 3.44E+03 4.45E+03 3.64E+03 3.63E+03 1.63E+03 2.57E+03 9.26E+03 2.36E+03 3.43E+03 2.28E+03 3.15E+03 1.64E+03 3.17E+03 8.16E+03 2.61E+03 3.73E+03 5.61E+03 3.02E+03 2.24E+03 5.58E+03 4.12E+03 1.31E+03 6.72E+03 1.62E+03 2.64E+03 5.52E+03 1.02E+03 2.85E+05 2.48E+03 860 1.09E+03 5.91E+03 3.25E+03 5.63E+03 2.05E+03 6.04E+03 3.66E+03 2.41E+03 8.89E+03 1.62E+03 1.76E+03 2.4E+03 3.08E+03 Cucurbic acid_1 3.53E+05 2.96E+05 3.25E+05 3.55E+05 3.21E+05 3.28E+05 3.2E+05 3.45E+05 3.64E+05 3.9E+05 3.74E+05 3.55E+05 3.23E+05 3.5E+05 3.6E+05 3.55E+05 3.27E+05 3.75E+05 3.13E+05 3.37E+05 3.19E+05 3.49E+05 3.27E+05 2.8E+05 3.51E+05 3.22E+05 3.37E+05 3.43E+05 3.46E+05 3.4E+05 3.05E+05 2.81E+05 3.27E+05 3.5E+05 3.29E+05 3.26E+05 3.11E+05 1.6E+05 3.42E+05 2.98E+05 3.47E+05 2.95E+05 3.18E+05 3.2E+05 3.1E+05 3.35E+05 3.69E+05 3.2E+05 3.32E+05 3.17E+05 3.18E+05 Cucurbic acid_2 2.49E+05 2.23E+05 2.26E+05 2.64E+05 2.54E+05 2.82E+05 2.45E+05 2.52E+05 2.58E+05 2.72E+05 2.06E+05 2.3E+05 2.69E+05 1.95E+05 2.77E+05 2.46E+05 2.42E+05 2.6E+05 2.41E+05 2.25E+05 2.43E+05 2.81E+05 2.36E+05 2.41E+05 2.42E+05 2.38E+05 2.62E+05 2.65E+05 2.45E+05 2.46E+05 2.54E+05 2.46E+05 2.14E+05 2.63E+05 2.17E+05 2.19E+05 2.42E+05 2.3E+05 4.92E+05 2.14E+05 2.23E+05 9.21E+04 2.28E+05 2.15E+05 2.53E+05 2.06E+05 2.08E+05 2.14E+05 2.4E+05 2.63E+05 2.32E+05 Cucurbic acid_3 1.6E+05 1.01E+05 1.46E+05 9.65E+04 1.12E+05 7.33E+04 1.31E+05 1.54E+05 1.23E+05 9.05E+04 1.31E+05 9.26E+04 1.07E+05 1.16E+05 1.07E+05 1.23E+05 7.78E+04 1.04E+05 5.56E+04 1.27E+05 5.7E+04 1.41E+05 9.86E+04 2.59E+04 1.3E+05 7.51E+04 1.28E+05 1.08E+05 1.25E+05 1.4E+05 1.15E+05 1.14E+05 1.27E+05 1.17E+05 1.41E+05 1.57E+05 8.96E+04 8.48E+04 1.62E+05 1.1E+05 9.64E+04 1.53E+05 6.88E+04 1.16E+05 1.34E+05 1.28E+05 2.16E+05 1.19E+05 1.17E+05 1.19E+05 1.16E+05 Cucurbitine_1 2.44E+07 1.36E+07 6.98E+06 1.08E+07 5.24E+06 9.6E+06 2.89E+07 9.26E+06 6.92E+06 5.24E+06 1.04E+07 9.15E+06 4.55E+06 8.85E+06 6.02E+06 5.84E+06 7.82E+06 8.36E+06 1.4E+07 6.65E+06 3.41E+07 2.29E+07 7.21E+06 1.58E+07 1.21E+07 6.65E+06 7.56E+06 8.73E+06 7.2E+06 5.4E+06 6.7E+06 5.06E+06 6.6E+06 1.81E+07 6.81E+06 4.18E+06 1.59E+07 2.64E+07 5.45E+06 5.89E+06 5.17E+06 2.12E+07 2.71E+07 6.38E+06 2.44E+07 6.06E+06 8.22E+06 7.42E+06 1.72E+07 8E+06 4.23E+07 Cucurbitine_2 6.38E+06 1.42E+06 1.49E+07 2.11E+06 5.41E+06 3.41E+06 1.68E+07 6.46E+06 3.61E+06 9.88E+06 1.38E+06 1.67E+06 5.57E+07 2.09E+06 7.3E+06 3.86E+06 4.59E+06 8.92E+06 4.35E+06 2.57E+06 3.19E+06 4.52E+06 4.7E+06 1.2E+07 1.03E+06 1.88E+06 2.69E+06 1.41E+06 1.31E+06 6.62E+06 3.68E+06 6.31E+06 1.28E+07 8.47E+06 4.52E+06 3.62E+06 7.01E+06 4.17E+06 3E+06 2.6E+06 4.56E+06 3.2E+07 3.87E+06 3.51E+06 2.81E+06 5.55E+06 3.46E+06 6.01E+06 2.95E+06 2.56E+06 2.28E+06 Cumene 3.07E+05 6.62E+05 7.24E+05 3.54E+05 3.91E+05 6.24E+05 2.31E+05 1.81E+05 9.28E+05 5.24E+05 1.58E+04 2.05E+05 3.02E+05 7.6E+05 3.55E+05 1.24E+06 9.45E+05 6.86E+05 3.05E+05 2.7E+05 8.13E+05 1.09E+06 3.71E+05 3.3E+05 3.8E+04 1.91E+05 5.97E+05 1.4E+06 3.91E+05 4.98E+05 1.01E+06 3.82E+05 7.78E+05 2.87E+05 1.25E+06 1.35E+06 3.93E+05 4.59E+05 7.07E+05 6.94E+05 7.46E+04 4.57E+05 1.95E+05 6.16E+05 5.57E+05 4.21E+05 2.66E+05 1.67E+05 8.69E+05 9.07E+05 8.84E+05 Cycasin_1 6.81E+04 2.28E+03 2.84E+04 3.35E+03 9.27E+03 2.2E+03 3.25E+04 3.62E+03 3.16E+03 2.9E+03 2.77E+03 3.05E+03 2.26E+03 2.85E+04 7.04E+03 2.54E+03 2.55E+03 2.66E+03 2.5E+03 1.37E+03 2.74E+03 1.68E+03 1.14E+04 3.12E+03 2.65E+03 2.44E+03 2.74E+03 4.6E+03 2.34E+03 4.91E+04 1.77E+04 2.39E+03 2.99E+03 2.6E+03 4.55E+03 2.09E+03 2.28E+03 4.6E+03 2.03E+03 3.23E+03 1.42E+04 0 2.55E+03 2.78E+03 1.4E+03 1.86E+03 5.85E+03 1.98E+03 982 5.63E+03 5.65E+04 Cycasin_2 2.95E+03 2.56E+03 2.17E+03 7.12E+03 2.31E+03 3.43E+03 2.21E+03 2.24E+03 2.49E+03 2.7E+03 2.62E+03 2.6E+03 4.26E+03 1.5E+03 2.75E+03 3.6E+03 2.85E+03 2.32E+03 2.45E+03 1.73E+03 3.65E+03 1.54E+03 2.21E+03 2.54E+03 1.91E+03 3.28E+03 2.44E+03 3.13E+03 1.73E+03 6.38E+03 3.98E+03 2.4E+03 2.68E+03 5.09E+03 3.34E+03 3.79E+03 2.4E+03 2.63E+03 1.89E+03 2.18E+03 2.44E+03 1.12E+03 3.5E+03 2.1E+03 2.43E+03 1.01E+03 2.71E+03 2.26E+03 2.97E+03 1.79E+03 3.65E+03 Cycloheptanecarboxylic acid_1 3.73E+05 3.19E+05 4.47E+05 4.07E+05 4.12E+05 4.44E+05 4.03E+05 1.32E+05 3.11E+05 3.57E+05 3.67E+05 2.44E+05 3.55E+05 3.64E+05 2.41E+05 3.92E+05 5.62E+05 6.04E+05 2.86E+05 3.31E+05 2.16E+05 3.09E+05 2.8E+05 4.37E+05 3.72E+05 3.38E+05 2.91E+05 2.54E+05 4.84E+05 6.53E+05 1.88E+05 3.51E+05 3.17E+05 2.9E+05 3.63E+05 1.77E+05 4.24E+05 3.46E+05 3.95E+05 4.9E+05 2.52E+05 1.96E+05 2.67E+05 3.21E+05 2.42E+05 4.49E+05 2.69E+05 4.1E+05 4.14E+05 2.22E+05 4.46E+05 Cycloheptanecarboxylic acid_2 2.6E+05 3.95E+05 1.05E+05 5.01E+05 2.78E+05 3.19E+06 4.03E+05 2.52E+05 3.38E+05 2.07E+05 2.78E+05 1.92E+05 9.14E+04 1.96E+05 3.2E+05 2.19E+05 1.95E+05 7.48E+04 2.35E+05 3.22E+05 2.44E+05 1.14E+05 2.65E+05 2.77E+05 4.04E+05 3.49E+05 1.84E+05 7.72E+04 8.69E+04 3.28E+05 1.48E+05 1.16E+05 2.06E+05 4.03E+05 3.53E+05 2.23E+05 2.45E+05 2.95E+05 2.79E+05 1.51E+05 1.76E+05 1.9E+05 2.14E+05 2.07E+05 1.06E+05 4.43E+05 2.11E+05 2.46E+05 2.13E+05 3.41E+05 2.14E+05 Cycloheptanecarboxylic acid_3 1.98E+05 2.47E+05 1.74E+05 1.87E+05 1.43E+05 1.1E+06 1.46E+05 1.75E+05 1.28E+05 1.98E+05 1.76E+05 2.14E+05 2.01E+05 1.22E+05 1.98E+05 1.6E+05 2.35E+05 1.63E+05 2.58E+05 2.02E+05 2.06E+05 1.54E+05 2.41E+05 1.95E+05 1.27E+05 1.74E+05 2.26E+05 2.63E+05 2.31E+05 3.15E+05 1.96E+05 2.16E+05 2.92E+04 1.7E+05 2.33E+05 1.79E+05 2.02E+05 2.29E+05 2.31E+05 2.3E+05 1.58E+05 1.94E+05 2.01E+05 2.21E+05 1.47E+05 2.22E+05 2.09E+05 2.04E+05 1.14E+05 1.36E+05 4.1E+05 Cyclohexane-1,3-dione_1 9.07E+06 9.25E+06 1.01E+07 9.02E+06 9.49E+06 8.43E+06 9.87E+06 8.12E+06 8.68E+06 9.79E+06 9.33E+06 9.5E+06 1.12E+07 1.04E+07 8.89E+06 9.45E+06 9.25E+06 9.82E+06 8.84E+06 8.09E+06 8.01E+06 1.05E+07 1.01E+07 8.97E+06 1.15E+07 7.86E+06 9.31E+06 8.86E+06 8.79E+06 9.48E+06 9.67E+06 1.01E+07 8.65E+06 8.87E+06 9.12E+06 7.37E+06 8.48E+06 9.17E+06 8.5E+06 9.61E+06 9.53E+06 9.39E+06 8.2E+06 8.8E+06 9.13E+06 1E+07 9.79E+06 1.01E+07 8.75E+06 8.47E+06 9.59E+06 Cyclohexane-1,3-dione_2 1.8E+06 5.28E+06 3.69E+06 7.28E+06 5.96E+06 6.12E+06 8.4E+06 4.79E+06 7.5E+06 5.18E+06 9.81E+06 5E+06 4.75E+06 1.44E+06 8.29E+06 4.53E+06 3.33E+06 5.56E+06 7.18E+06 3.89E+06 7.07E+06 6.79E+06 1.02E+07 1.33E+06 3.2E+06 4.32E+06 5.56E+06 4.9E+06 3.77E+06 5.83E+06 7.34E+06 3.51E+06 1.68E+06 1.83E+06 4.14E+06 2.89E+06 7E+06 1.25E+06 4.56E+06 5.6E+06 1.58E+06 9.81E+06 1.56E+06 1.68E+06 1.25E+06 2.93E+06 5.1E+06 3.72E+06 2.02E+06 2.57E+06 7.57E+06 Cyclohexane-1,3-dione_3 1.01E+06 4.46E+05 5.99E+05 6.93E+05 4.26E+05 3.72E+05 7.71E+05 5.27E+05 5E+05 6E+05 4.91E+05 4.73E+05 6.39E+05 7.15E+05 6.27E+05 2.32E+05 4.66E+05 5.93E+05 3.24E+05 5.76E+05 5.82E+05 6.31E+05 4.33E+05 5.58E+05 4.52E+05 5.21E+05 6.01E+05 5.55E+05 3.3E+05 5.28E+05 9.34E+05 7.43E+05 5.75E+05 7.99E+05 5.47E+05 5.25E+05 4.48E+05 4.51E+05 4.04E+05 6.55E+05 5.23E+05 5.35E+05 1.1E+06 5.62E+05 5.28E+05 3.93E+05 4.65E+05 5.87E+05 4.11E+05 2.82E+05 7.32E+05 Cyclohexanone 1.48E+05 1.85E+04 2.6E+05 1.79E+05 2.64E+05 3.08E+05 5.55E+05 1.13E+05 1.04E+05 1.59E+05 2.66E+05 9.02E+04 3.37E+05 2.52E+05 3.22E+05 2.15E+05 1.55E+05 6.05E+06 1.86E+05 1.71E+05 8.19E+04 1.56E+05 4.92E+05 2.16E+05 3.31E+06 1.5E+05 1.45E+05 8.1E+04 1.74E+05 4.64E+05 1.93E+05 2.14E+06 6.27E+05 4.24E+05 1.65E+05 3.36E+04 9.06E+04 2.52E+05 1.56E+05 4.15E+05 3.75E+05 1.07E+05 3.51E+05 3.01E+05 8.56E+04 2.43E+05 3.18E+05 4.87E+06 9.57E+04 1.19E+05 1.99E+05 Cyclohexylamine_1 3.69E+05 1.69E+05 4.46E+05 1.8E+05 2.73E+05 4.59E+05 2.41E+05 2.06E+05 2.86E+05 2.4E+05 2.88E+05 2.31E+05 3.36E+05 2.15E+05 3.2E+05 4.32E+05 3.23E+05 3.66E+05 2.06E+05 2.35E+05 1.74E+05 3.56E+05 5.61E+05 2.8E+05 2.91E+05 2.28E+05 3.78E+05 3.87E+05 4.84E+05 3.54E+05 3.16E+05 3.07E+05 5.43E+05 3.33E+05 3.84E+05 6.04E+05 4.71E+05 1.4E+05 4.17E+05 4.38E+05 3.08E+05 1.45E+05 2.37E+05 2.5E+05 1.04E+05 3.96E+05 1.23E+05 2.54E+05 2.91E+05 3.86E+05 4.53E+05 Cyclohexylamine_2 2.69E+05 1.24E+05 5.04E+05 3.76E+05 8.55E+05 2.77E+05 4.17E+05 2.18E+05 4.43E+05 2.74E+05 2.09E+05 1.29E+05 5.71E+05 3.83E+04 2.77E+05 7.65E+05 2.51E+05 4.97E+05 2.4E+05 2.52E+05 1.35E+05 3.26E+05 3.32E+05 2.42E+05 8.12E+05 1.17E+05 1.17E+05 3.01E+05 3.62E+05 1.89E+05 1.79E+05 1.27E+06 7.11E+05 3.5E+05 5.55E+04 2.4E+06 5.49E+04 7.67E+05 6.75E+05 2.69E+05 4.09E+05 1.34E+05 2.34E+05 2.86E+05 2.44E+05 1.28E+05 2.83E+05 4.13E+05 1.36E+05 1.74E+05 3.53E+05 Cyphenothrin 7.51E+06 2.33E+06 1.11E+06 1.4E+06 1.4E+06 4.4E+05 2.69E+06 4.05E+05 1.86E+06 1.84E+06 8.08E+05 1.3E+06 7.12E+05 8.73E+05 1.26E+06 1.14E+06 5.25E+05 1.07E+06 3.36E+05 2.17E+05 6.77E+05 3.39E+06 3.43E+05 8.86E+05 8.74E+04 3.61E+05 6.66E+05 4.76E+05 8.26E+05 4.26E+05 1.56E+06 2.22E+05 2.12E+05 1.37E+06 2.35E+05 7.47E+05 4.72E+05 1.06E+06 1E+06 9.74E+04 3.61E+05 7.28E+05 2.74E+05 2.24E+05 6.61E+05 4.14E+05 1.78E+07 4.04E+05 2.16E+05 7.8E+05 1.51E+06 CYTIDINE 8.65E+06 6.89E+04 1.4E+05 4.63E+04 1.19E+05 1.36E+05 7.39E+04 9.24E+04 4.73E+04 1.46E+05 1.32E+06 1.53E+04 9.54E+04 1.58E+07 8.44E+06 6.42E+05 2.28E+06 1.79E+05 1.48E+05 1.44E+05 7.55E+05 6.62E+06 1.67E+05 1.82E+06 1.37E+05 6.7E+04 1.39E+05 2.97E+04 1.96E+05 2.15E+07 1.38E+07 1.64E+05 1.47E+05 1.25E+05 6.66E+06 8.03E+04 1.08E+06 1.45E+06 6.81E+04 8.54E+04 8.63E+06 1.02E+06 1.42E+05 2.95E+06 5.77E+06 8.7E+04 2.53E+05 5.84E+05 1.43E+05 1.3E+05 1.37E+07 Cytosine_1 3.74E+05 5.09E+05 2.82E+05 5.5E+04 3.36E+05 4.12E+05 3.26E+05 1.78E+05 3.88E+05 1.8E+05 2.1E+05 4.11E+05 2.99E+05 4.78E+05 1.81E+05 3.79E+05 3.87E+05 3.25E+05 3.87E+05 2.55E+05 8.9E+04 3.86E+05 5.06E+05 3.55E+05 1.95E+05 2.76E+05 2.8E+05 2.94E+05 1.57E+05 5.09E+05 2.49E+05 4.44E+05 1.04E+05 1.66E+05 1.71E+05 2.72E+05 2.25E+05 2.63E+05 2.04E+05 3.37E+05 8.06E+04 4.16E+05 3.77E+05 4.56E+05 4.4E+05 2.83E+05 2.48E+05 1.71E+05 2.96E+05 3.11E+05 4.7E+05 Cytosine_2 6.86E+06 8.22E+04 1.69E+05 7.98E+04 6.14E+04 1.42E+05 5.98E+04 1.23E+05 1.15E+05 1.93E+05 1.19E+06 6.59E+04 1.65E+05 1.56E+07 7.73E+06 6.69E+05 2.45E+06 2.38E+05 2.07E+05 1.65E+05 8.2E+05 6.24E+06 2.49E+05 1.99E+06 2.18E+05 1.79E+05 2.08E+05 5.82E+04 2.55E+05 2.11E+07 1.39E+07 2.45E+05 1.71E+05 2.92E+05 7.67E+06 1.43E+05 1.18E+06 1.63E+06 1.86E+05 1.88E+05 9.28E+06 1.24E+06 1.9E+05 3.4E+06 6.38E+06 9.11E+04 2.14E+05 6.42E+05 4.46E+05 1.65E+05 1.11E+07 D-(-)-ARABINOSE 8.24E+06 7.08E+06 8.72E+06 7.15E+06 6.14E+06 9.44E+06 1.06E+07 5.74E+06 6.05E+06 6.74E+06 7.56E+06 6.81E+06 6.99E+06 9.01E+06 3.83E+06 5.83E+06 8.43E+06 2.87E+06 9.86E+06 9.66E+06 8.54E+06 9.69E+06 3.83E+06 9.51E+06 7.72E+06 6.49E+06 6.86E+06 6.52E+06 7.51E+06 5.61E+06 8.26E+06 8.48E+06 4.19E+06 7.71E+06 7.96E+06 6.17E+06 8.96E+06 8.63E+06 7.11E+06 7.91E+06 7.91E+06 9.74E+06 7.46E+06 3.07E+06 6.66E+06 9.79E+06 1.13E+07 2.97E+06 1.17E+07 9.09E+06 7.92E+06 D-(+)-GLUCOSAMINE 4.76E+06 4.45E+06 3.49E+06 3.58E+06 3.23E+06 5.06E+06 4.82E+06 3.04E+06 3E+06 2.92E+06 4.66E+06 3.22E+06 2.68E+06 5.2E+06 4.57E+06 3.39E+06 4.28E+06 2.53E+06 1.91E+06 4.19E+06 2.55E+06 3.2E+06 2.37E+06 3.41E+06 3.89E+06 6.02E+06 3.64E+06 3.02E+06 4.07E+06 3.03E+06 3.31E+06 3.59E+06 2.56E+06 2.96E+06 3.11E+06 4E+06 3.68E+06 6.06E+06 3.76E+06 3.73E+06 3.28E+06 3.7E+06 2.02E+06 3.25E+06 2.4E+06 4.07E+06 4.41E+06 2.46E+06 3.44E+06 2.54E+06 3.72E+06 Daimuron 1.04E+05 2.01E+04 1.42E+04 9.29E+03 916 6.64E+04 1.39E+03 9.4E+04 1.39E+04 6.14E+03 4.19E+03 1.82E+04 1.64E+04 3.24E+03 7.98E+03 7.68E+04 9.81E+05 1.17E+03 1.76E+04 7.61E+03 7.21E+03 2.7E+04 5.05E+03 2.77E+05 9.35E+03 3.63E+04 2.08E+04 1.44E+04 5.89E+03 2.66E+03 1.42E+04 4.29E+03 3.64E+03 2.53E+04 6.82E+03 5.29E+03 1.51E+04 2.62E+06 5.29E+04 1.07E+04 5.88E+03 1E+04 1.06E+05 620 1.95E+04 1.76E+04 8.3E+04 6.76E+03 812 4.9E+04 3.48E+04 D-Alanyl-D-alanine_1 3.28E+05 1.58E+05 1.3E+06 1.46E+05 1.21E+05 1.51E+05 8.85E+05 9.39E+05 4.27E+05 4.69E+05 2.12E+05 2.65E+04 5.63E+05 4.4E+05 6.19E+04 6.75E+05 3.43E+04 2.49E+03 5.24E+05 1.63E+05 7E+05 3.54E+05 1.71E+04 4.78E+05 1.79E+03 1.56E+04 3.86E+05 8.31E+04 1.04E+04 4.88E+05 3.44E+05 1.78E+03 1.56E+03 2.47E+05 9.29E+03 3.19E+05 2.71E+05 3.52E+05 1.09E+04 1.79E+04 2.44E+04 2.87E+05 7.08E+05 3.68E+04 3.43E+05 2.19E+05 8.66E+04 0 3.65E+05 8.34E+05 2.38E+05 D-Alanyl-D-alanine_2 2.4E+05 3.97E+04 6.07E+05 1.61E+05 1.89E+05 3.16E+05 2.13E+05 1.36E+05 2.98E+05 7.04E+05 1.11E+06 1.26E+05 1.94E+06 5.05E+05 3.75E+05 8.06E+05 1.79E+05 1.76E+05 2.01E+05 2.57E+05 2.13E+05 1.53E+05 9.28E+05 1.22E+05 1.81E+05 2.43E+05 2.27E+05 1.48E+04 1.79E+05 4.52E+05 1.8E+05 7.65E+04 3.08E+05 1.73E+05 1.49E+05 1.45E+05 1.79E+05 1.39E+05 1.54E+05 8.2E+05 3.93E+05 1.47E+05 1.74E+05 2.47E+05 6.06E+04 3.15E+05 6.51E+05 2.43E+05 1.35E+05 2.22E+05 2.86E+05 Debrisoquin 4E+03 2.5E+03 1.91E+03 2.17E+03 2.11E+03 4.13E+03 2.03E+03 1.91E+03 2.14E+03 2.35E+03 2.12E+03 2.31E+03 1.99E+03 1.32E+03 2.81E+03 2E+03 2.73E+03 2.03E+03 2.29E+03 0 2.19E+03 2.32E+03 1.82E+03 2.92E+03 0 2.7E+03 2.42E+06 3.79E+03 1.97E+03 4.45E+03 1.93E+03 4.12E+03 1.56E+03 2.05E+03 2.52E+03 2.31E+03 1.84E+03 1.07E+03 2.26E+03 2.22E+06 2.31E+03 2.42E+03 2.61E+03 2.41E+03 1.9E+03 4.27E+03 9.68E+05 2.5E+03 2.32E+03 1.98E+03 1.89E+03 Deethylatrazine 2.06E+08 2.08E+08 2.17E+08 2.09E+08 1.24E+08 1.63E+08 2.05E+08 8.65E+07 1.57E+08 1.47E+08 1.61E+08 2.56E+08 1.05E+08 1.63E+08 1.58E+08 1.23E+08 1.38E+08 1.54E+08 1.44E+08 1.76E+08 1.47E+08 1.6E+08 2E+08 1.71E+08 1.19E+08 1.79E+08 1.26E+08 1.58E+08 1.71E+08 1.14E+08 1.47E+08 1.3E+08 1.6E+08 1.81E+08 1.46E+08 1.42E+08 1.58E+08 1.25E+08 1.35E+08 1.98E+08 1.61E+08 1.54E+08 1.72E+08 1.46E+08 1.39E+08 1.45E+08 2E+08 1.21E+08 1.55E+08 1.52E+08 2.21E+08 Dehydroalanine_1 3.53E+06 4.47E+06 4.72E+06 3.31E+06 1.42E+06 1.56E+06 5.19E+06 3.71E+06 3.99E+06 1.2E+06 6.47E+06 6.1E+05 4.77E+06 4.41E+06 5.14E+06 4.14E+06 4.48E+06 3.91E+06 2.11E+06 1.2E+06 3.88E+06 3.31E+06 4.77E+06 2.93E+06 5.54E+06 4.34E+06 3.75E+06 6.18E+06 4.07E+06 4.52E+06 4.11E+06 4.48E+06 5.06E+06 1.2E+06 5.51E+06 4.64E+06 1.45E+06 1.2E+06 1.51E+06 3.37E+06 3.95E+06 1.01E+06 1.56E+06 5.57E+06 1.66E+06 3.57E+06 4.51E+06 3.51E+06 1.38E+06 1.62E+06 5.8E+06 Dehydroalanine_2 5.65E+05 8.29E+05 8.72E+05 1.25E+06 5.87E+05 8.62E+05 4.74E+05 6.13E+05 9.78E+05 1.43E+06 1.06E+06 8.41E+05 3.1E+06 1E+06 6.4E+05 7.03E+05 2.67E+05 3.89E+05 2.54E+05 5.36E+05 7.36E+05 4.22E+05 1.58E+06 4.72E+05 3.96E+05 7.62E+05 8.48E+05 3.58E+05 1.16E+06 3.88E+05 6.39E+05 5.75E+05 5.52E+05 1.11E+06 4.85E+05 3.62E+05 7.24E+05 2.83E+05 1.09E+06 1.67E+06 5.31E+05 1.06E+06 3.73E+05 6.86E+05 4.64E+05 4.28E+05 1.6E+06 2.61E+05 5.9E+05 7.94E+05 7.27E+05 Dehydroalanine_3 1.45E+06 2.78E+06 5.67E+05 2.29E+06 7.62E+04 9.91E+05 2.18E+06 7.75E+05 1.44E+05 7.09E+05 1.11E+05 6.37E+05 3.48E+05 9.84E+05 1.41E+06 1.7E+05 7.31E+04 1.45E+06 2.09E+05 9E+04 3.17E+06 1.92E+06 4.28E+05 1.27E+06 6.62E+05 8.9E+04 1.57E+05 1.21E+05 2.46E+05 9.35E+04 8.44E+05 7.96E+05 6.43E+05 1.52E+06 3.21E+04 1.41E+05 8.35E+04 7.06E+04 1.49E+04 6.61E+04 3.3E+05 9.17E+04 9.55E+05 9.46E+05 1.23E+05 2.69E+05 5.45E+05 4.22E+05 8.95E+04 3.26E+05 3.16E+06 Dehydroalanine_4 5.81E+04 1.96E+05 4.02E+05 1.83E+05 1.87E+05 1.79E+05 2.98E+05 5.98E+05 1.94E+05 2.69E+05 5.73E+05 1.31E+05 5.09E+05 3.08E+05 6.07E+05 3.6E+05 2.14E+05 4.34E+05 1.62E+05 1.94E+05 6.48E+04 6.64E+04 5.05E+05 8.7E+04 2.73E+05 1.08E+05 2.39E+05 1.55E+05 1.15E+05 5.32E+05 2.99E+05 3.94E+05 6.56E+05 1.37E+05 1.83E+05 2.98E+05 7.91E+04 7.59E+04 2.74E+05 1.56E+05 5.01E+05 6.5E+04 1.23E+05 5.4E+05 4.71E+04 3.55E+05 3.24E+05 5.28E+05 3.69E+04 2.45E+05 4.47E+04 delta-Guanidinovaleric acid_1 2.04E+06 1.15E+06 9.49E+05 3.87E+06 1.24E+06 1.65E+06 7.31E+05 4.78E+05 2.03E+06 2.56E+06 1.02E+06 2.63E+05 3.54E+05 1.17E+06 1.16E+06 1.66E+06 2.59E+06 6.39E+05 1.39E+06 1.14E+06 1.4E+06 2.36E+06 8.92E+05 1.3E+06 6.9E+05 6.35E+05 1.5E+06 1.55E+06 1.37E+06 1.4E+06 1.41E+06 1.38E+06 6.36E+05 2.76E+06 1.5E+06 9.78E+05 1.36E+06 2.01E+06 2.44E+06 1.97E+06 5.26E+05 1.53E+06 2.53E+05 5.99E+06 4.2E+06 1.2E+06 1.56E+06 2.79E+05 7.05E+05 8.44E+05 2.35E+06 delta-Guanidinovaleric acid_2 1.46E+05 9.4E+04 4.25E+05 1.51E+05 2.19E+04 3.98E+04 3.82E+04 6.05E+04 2.79E+04 5.3E+03 2.92E+04 1.63E+05 7.56E+03 9.36E+03 5.37E+03 1.26E+04 6.74E+05 1.2E+04 1.14E+05 1.14E+04 3.13E+04 2.68E+05 1.6E+04 3.11E+05 4.51E+04 1.31E+05 9.13E+04 2.79E+05 2.28E+05 2.51E+05 1.01E+05 2.68E+03 3.32E+03 1.4E+04 2.82E+04 3.73E+05 6.9E+05 1.99E+05 1.69E+05 9.3E+04 1.11E+04 7.64E+04 6.58E+04 1.43E+03 3.63E+05 3.33E+04 5.97E+04 2.25E+04 4.75E+04 2.28E+04 2.19E+05 DEOXYCARNITINE 4.09E+07 3.95E+07 7.19E+07 4.12E+07 3.71E+07 3.65E+07 5.16E+07 2.65E+07 5.32E+07 5.45E+07 4.53E+07 4.6E+07 3.94E+07 5.41E+07 4.77E+07 6.77E+07 5.53E+07 5.09E+07 3.67E+07 4.29E+07 5.11E+07 4.16E+07 4.9E+07 2.75E+07 3.45E+07 5.69E+07 4.34E+07 4.1E+07 4.77E+07 4.56E+07 6.69E+07 3.59E+07 4.71E+07 4.97E+07 4.85E+07 6.59E+07 2.8E+07 4.09E+07 7.19E+07 5.15E+07 5.08E+07 6.24E+07 3.84E+07 6.39E+07 3.29E+07 4.37E+07 3.8E+07 4.15E+07 5.15E+07 4.08E+07 7.09E+07 Deoxycytidine 2.47E+05 1.01E+05 1.74E+05 2.42E+04 1.62E+06 3.17E+05 1.6E+05 4.3E+05 8.73E+04 3.71E+05 1.02E+06 9.06E+04 1.02E+05 5.59E+04 3.82E+05 4.75E+04 1.83E+05 9.8E+05 6.13E+05 1.3E+04 2.2E+05 1.07E+05 1.49E+06 1.1E+05 1.45E+06 8.59E+05 1.27E+05 4.21E+03 8.76E+05 1.44E+05 1.15E+05 3.24E+05 2.68E+06 1.14E+06 1.41E+06 4.11E+04 2.02E+05 4.21E+04 2.46E+06 2.88E+05 3.27E+05 1.7E+05 1.35E+06 1.26E+05 1.11E+05 2.28E+05 4.18E+06 2.85E+05 2E+05 1.17E+06 1.4E+05 Deoxyvasicinone 2.14E+06 5.3E+06 4.66E+06 7.74E+06 2.36E+06 3.43E+06 4.12E+06 4.61E+06 3.55E+06 3.26E+06 9.72E+05 4.29E+06 1.83E+06 3.69E+06 2.33E+06 2.03E+06 2.84E+06 8.9E+05 6.25E+06 3.18E+06 3.09E+06 2.92E+06 5.23E+05 3.74E+06 2.37E+05 3.43E+06 3.26E+06 6.64E+06 3.89E+06 2.67E+06 4.66E+06 4.41E+05 1.17E+06 3.14E+06 4.39E+06 6.13E+06 2.79E+06 1.41E+06 2.11E+06 2.76E+06 1.41E+06 3.27E+06 3.31E+06 1.48E+06 3.08E+06 6.39E+05 1.26E+06 3.48E+05 1.94E+06 3.68E+06 4.8E+06 D-GLUCONO-1,5-LACTONE 2.37E+06 2.27E+06 2.67E+06 2.83E+06 4.2E+06 1.78E+06 2.9E+06 1.94E+06 4.27E+06 1.58E+06 2.41E+06 1.99E+06 2.06E+06 1.04E+06 5.41E+05 1.55E+06 2.31E+06 6.45E+05 2.91E+06 2.16E+06 2.48E+06 2.99E+06 1.07E+06 3.35E+06 2.08E+06 1.57E+06 3.89E+06 2.72E+06 1.22E+06 1.07E+06 2.17E+06 8.78E+05 5.1E+05 2.06E+06 1.64E+06 2.37E+06 2.57E+06 2.24E+06 1.08E+06 1.12E+06 8.38E+05 2.27E+06 1.96E+06 5.5E+05 2.42E+06 4.34E+06 4.69E+06 2.39E+05 1.84E+06 2.62E+06 2.18E+06 D-Glucosamine 1.45E+06 2.26E+03 1.65E+03 1.4E+03 1.4E+03 3.1E+03 1.86E+03 1.4E+03 1.59E+03 1.47E+03 4.62E+04 1.68E+03 1.77E+03 3.02E+06 8.37E+05 3.42E+04 1.99E+05 1.47E+03 1.77E+03 1.93E+03 2.5E+04 1.11E+06 1.71E+03 3.05E+05 1.64E+03 1.11E+03 2.1E+03 3E+03 1.81E+03 4.17E+06 1.69E+06 1.62E+03 1.23E+03 6.93E+03 6.12E+05 1.64E+03 9.14E+04 1.3E+05 2.04E+03 1.75E+03 9.37E+05 5.88E+04 1.56E+03 4.1E+05 1.68E+06 3.74E+03 3.72E+03 1.27E+04 3.15E+04 1.26E+03 1.6E+06 D-Glucose_1 5.25E+07 4.34E+05 5.37E+07 8.84E+06 5.62E+07 1.62E+08 3.93E+07 3.47E+04 1.61E+07 4.26E+06 4.29E+07 2.18E+07 2.09E+08 9.36E+07 2.33E+05 3.01E+05 3.88E+06 2.58E+06 2.52E+07 4E+06 3.65E+07 2.75E+07 1.12E+08 1.52E+08 1.46E+08 2.86E+06 1.05E+06 1.94E+07 4.8E+07 1.03E+07 1.13E+08 7.24E+07 8.04E+07 1.3E+08 8.12E+07 1.29E+07 1.34E+08 1.7E+06 3.6E+07 2.75E+07 1.58E+07 1.45E+06 8.77E+06 2.66E+07 3.61E+07 2.56E+06 2.84E+07 1.76E+07 1.58E+05 7.88E+07 1.8E+07 D-Glucose_2 9.43E+07 1.89E+06 1.82E+07 2.37E+06 1.19E+07 2.67E+07 3.22E+07 1.08E+05 4.19E+06 5.06E+07 1.42E+07 2.55E+07 2.87E+07 1.46E+07 1.87E+06 2.88E+05 1.87E+06 1.86E+07 6.53E+06 3.93E+07 3.52E+07 3.53E+06 2.13E+07 2.73E+07 2.93E+07 3.29E+07 1.94E+06 2.12E+07 6.61E+07 1.56E+06 1.31E+07 2.04E+07 2.61E+07 3.99E+07 1.27E+07 2.86E+07 2.95E+07 4.38E+06 6.71E+06 5.71E+06 5.94E+06 3.74E+06 4.68E+07 4.7E+06 6.62E+06 1.85E+06 9.68E+06 3.71E+06 1.71E+05 1.24E+07 3.83E+06 Diacetyl_1 2.37E+07 1.7E+07 2.08E+07 1.21E+07 1.13E+07 1.42E+07 4.61E+07 1.85E+07 1.32E+07 1.59E+07 6.47E+06 8.29E+06 1.8E+08 1.05E+07 1.37E+07 1.13E+07 9.65E+06 2.06E+07 1.06E+07 1.14E+07 1.11E+07 1.63E+07 1.37E+07 2.96E+07 7.38E+06 1.37E+07 1.62E+07 9.67E+06 1.04E+07 1.18E+07 1.71E+07 1.64E+07 2.72E+07 2.32E+07 1.66E+07 1.57E+07 1.89E+07 1.56E+07 2.06E+07 1.19E+07 7.81E+06 8.3E+07 1.4E+07 1.23E+07 1.76E+07 1.06E+07 1.23E+07 1E+07 1E+07 1.06E+07 1.71E+07 Diacetyl_2 1.67E+06 4.78E+06 1.69E+06 3.42E+06 3.62E+06 5.51E+06 2.22E+06 2.98E+06 3.83E+06 3.05E+06 4.63E+06 4.04E+06 7E+05 5.05E+06 4.84E+06 3.52E+06 4.81E+06 3.16E+06 3.36E+06 4.35E+06 3.37E+06 3.87E+06 3.49E+06 3.67E+06 5.68E+06 5.73E+06 4.15E+06 4.16E+06 4.59E+06 4.53E+06 4.51E+06 4.85E+06 3.2E+06 3.53E+06 5.01E+06 4.75E+06 3.9E+06 5.13E+06 4.78E+06 4.61E+06 4.55E+06 5.06E+06 3.22E+06 4.35E+06 3.41E+06 4.98E+06 4.84E+06 3.52E+06 4.44E+06 4.3E+06 4.69E+06 Diacetyl_3 1.3E+06 1.38E+06 1.05E+06 1.11E+06 7.99E+05 1.08E+06 5.63E+05 6.16E+05 1.26E+06 6.91E+05 1.46E+06 7.88E+05 8.89E+05 1.15E+06 1.15E+06 1.05E+06 1.23E+06 1.41E+06 5.09E+05 1.55E+06 9.09E+05 8.72E+05 6.16E+05 7.32E+05 1.04E+06 1.45E+06 5.13E+05 6.7E+05 1.12E+06 1.69E+06 1.81E+06 8.04E+05 1.14E+06 4.57E+05 2.25E+06 9.82E+05 1.2E+06 1.57E+06 1.51E+06 1.57E+06 1.62E+06 5.41E+05 2.71E+05 6.87E+05 8.99E+05 8.3E+05 2.06E+06 8.42E+05 1.59E+06 8.7E+05 2.03E+06 Diethanolamine 1.12E+06 7.32E+05 3.97E+05 6.98E+05 1.02E+06 1.2E+06 5.51E+05 4.73E+05 8.17E+05 7.33E+05 1.08E+06 1.04E+06 1.03E+06 1.13E+06 6.88E+05 2.61E+05 1.19E+06 6.11E+05 1.5E+06 7.2E+05 8.19E+05 1.06E+06 5.02E+05 1.16E+06 1.12E+06 6.49E+05 5.43E+05 1.04E+06 5.01E+05 7.77E+05 9.06E+05 1.26E+06 5.54E+05 7.59E+05 9.01E+05 7.26E+05 8.32E+05 9.19E+05 8.31E+05 1.21E+06 2.41E+06 1.01E+06 5.51E+05 8.01E+05 8.91E+05 6.48E+05 9.25E+05 6.82E+05 9.4E+05 1.9E+06 1.07E+06 Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_1 7.2E+03 1.83E+03 2.28E+03 2.22E+03 3.15E+03 2.3E+03 2.32E+03 4.3E+03 2.52E+03 3.5E+03 2.23E+03 2.49E+03 2.96E+03 7.56E+03 7.5E+03 3.25E+03 2.75E+03 2.57E+03 2.21E+03 2.77E+03 2.38E+03 3.56E+03 3.84E+03 3.9E+03 4.71E+03 4.16E+03 2.44E+03 2.55E+03 2.05E+03 1E+04 5.51E+03 0 1.21E+03 3.2E+03 3.1E+03 2.73E+03 2.34E+03 2.89E+03 5.55E+03 5.42E+03 2.31E+03 2.73E+03 2.23E+03 4.35E+03 2.13E+03 1.75E+03 5.34E+03 4.25E+03 2.49E+03 2.82E+03 3.36E+03 Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_2 2.49E+04 1.94E+03 2.2E+03 1.66E+03 2.78E+03 2.22E+03 0 1.74E+03 1.73E+03 0 2.41E+03 1.8E+03 1.61E+03 5.85E+04 4.87E+03 0 3.06E+03 2.42E+03 2.62E+03 1.23E+04 0 3.85E+03 2.7E+03 2.49E+03 5.61E+03 2.38E+03 0 2.06E+03 2.37E+03 8.55E+04 5.34E+04 4.7E+03 1.9E+03 2.65E+03 1.7E+04 1.97E+03 2.22E+03 1.85E+03 1.08E+04 2.91E+03 1.37E+04 1.92E+03 2.13E+03 4.3E+03 3.32E+03 3.36E+03 8.81E+03 2.14E+03 2.62E+03 2.1E+03 5.6E+04 Diethyl 2-methyl-3-oxosuccinate 3.56E+05 4.96E+04 1.76E+05 1.03E+05 1.27E+05 1.64E+05 2.11E+05 1.11E+05 1.58E+05 1.61E+05 2.07E+05 3.59E+04 1.3E+05 2.72E+05 2.98E+05 1.68E+05 2.16E+05 2.49E+05 2.59E+05 8.62E+04 4.98E+04 2.45E+05 3.07E+04 1.98E+05 2E+05 3.32E+04 7.29E+04 1.4E+05 2.79E+05 4.42E+05 2.6E+05 8.03E+04 1.21E+05 1.37E+05 2.46E+05 1.64E+05 1.93E+05 5.31E+04 2.25E+05 1.26E+05 2.75E+05 7.51E+04 1.27E+05 1.89E+05 3.87E+04 1.66E+05 1.43E+05 1.32E+05 2E+05 1.31E+05 4.49E+05 Diethyl sulfate 2.03E+04 1.82E+03 7.74E+03 2.38E+05 4.21E+04 2.33E+05 1.46E+04 5.11E+03 2.67E+05 3.21E+04 4.52E+03 1.64E+03 4.47E+05 1.27E+04 2.89E+05 1.65E+04 6.04E+04 7.47E+04 3.24E+05 4.57E+04 5.39E+04 9.73E+04 3.21E+05 3.39E+05 2.82E+03 1.98E+03 1.93E+05 1.34E+06 1.01E+04 1.36E+04 4.31E+04 1.87E+04 1.06E+04 1.88E+06 4.12E+05 9.26E+05 1.14E+05 1.1E+05 3.09E+05 2.94E+05 0 2.23E+05 1.76E+05 6.49E+05 1.59E+05 1.5E+05 4.61E+04 0 3.47E+04 3.17E+05 2.44E+05 Diethylene glycol_1 1.39E+06 1.57E+06 1.03E+06 1.76E+06 1.83E+06 1.45E+06 1.29E+06 1.42E+06 1.59E+06 1.47E+06 1.72E+06 1.15E+06 1.63E+06 1.72E+06 1.58E+06 1.36E+06 1.33E+06 2.33E+06 1.23E+06 1.17E+06 1.6E+06 1.21E+06 1.77E+06 1.39E+06 1.6E+06 1.44E+06 2.09E+06 1.45E+06 1.64E+06 1.41E+06 1.69E+06 1.81E+06 1.74E+06 1.5E+06 1.86E+06 1.39E+06 1.43E+06 1.86E+06 1.74E+06 1.64E+06 1.71E+06 1.72E+06 1.48E+06 1.76E+06 1.48E+06 1.6E+06 1.63E+06 1.37E+06 1.52E+06 1.22E+06 1.27E+06 Diethylene glycol_2 1.55E+05 2.05E+05 1.03E+05 1.77E+05 1.67E+05 1.51E+05 1.35E+05 2.19E+05 2.09E+05 2.37E+05 1.64E+05 2.07E+05 2.23E+05 1.98E+05 1.96E+05 2.17E+05 2.09E+05 2.26E+05 2.33E+05 2.32E+05 2.19E+05 2.06E+05 2.14E+05 1.78E+05 2.05E+05 2.31E+05 2.22E+05 2.1E+05 2.3E+05 2.25E+05 2.12E+05 2.25E+05 2.23E+05 2.13E+05 2.32E+05 1.96E+05 2.31E+05 2.14E+05 2.08E+05 2.51E+05 1.95E+05 2.4E+05 2.25E+05 2.23E+05 2.39E+05 2.35E+05 1.34E+05 1.96E+05 2.35E+05 2.36E+05 1.61E+05 Diethylthiophosphoric acid 6.32E+05 5.68E+05 8.97E+05 1.28E+06 1.13E+06 8.78E+05 8.77E+05 1.05E+06 7.33E+05 1.07E+06 1.03E+06 1.15E+06 8.96E+05 1.22E+06 5.63E+05 7.46E+05 1.15E+06 7.41E+05 9.53E+05 1.14E+06 9.44E+05 1.04E+06 8.5E+05 8.23E+05 1.02E+06 4.56E+05 1.12E+06 8.78E+05 1.13E+06 8.31E+05 9.68E+05 1.2E+06 7.16E+05 9.92E+05 1.22E+06 7.94E+05 9.71E+05 1.2E+06 1.34E+06 4.5E+05 1.09E+06 3.69E+05 7.94E+05 8.78E+05 8.14E+05 1.07E+06 1.18E+06 8.69E+05 1.16E+06 4.12E+05 1.06E+06 Digallate 0 1.77E+03 8.15E+05 0 0 1.42E+03 1.48E+03 0 0 0 0 2.17E+06 1.77E+05 0 0 2.12E+03 0 3.96E+05 0 0 4.53E+03 2.96E+05 3.95E+05 0 1.87E+03 0 0 0 3.17E+05 1.68E+03 2.02E+03 4.77E+05 8.64E+05 1.91E+03 0 3.39E+03 2.14E+03 0 0 5.64E+04 1.22E+06 1.75E+03 1.71E+03 3.07E+03 2.67E+05 2.49E+03 0 1.34E+06 0 0 9.14E+03 Dihydro-4,4-dimethyl-2,3-furandione 5.05E+07 5.78E+07 3.09E+07 2.87E+07 3.73E+07 3.94E+07 3.73E+07 2.42E+07 3.84E+07 2.54E+07 3.77E+07 4.27E+07 3.2E+07 6.06E+07 4.2E+07 3.87E+07 4.1E+07 2.51E+07 4.18E+07 3.86E+07 3.29E+07 3.32E+07 3.5E+07 3.3E+07 3.87E+07 3.79E+07 3.51E+07 3.82E+07 3.25E+07 5.01E+07 5.25E+07 4.92E+07 2.3E+07 4.2E+07 4.48E+07 3.69E+07 2.94E+07 2.77E+07 4.48E+07 4.29E+07 4.18E+07 4.82E+07 2.65E+07 3.97E+07 2.92E+07 3.26E+07 3.9E+07 3.9E+07 4.04E+07 4.69E+07 5.29E+07 Dihydroclavaminic acid_1 3.32E+05 5.89E+05 8.74E+05 3.83E+05 5.07E+05 5.06E+05 5.21E+05 4.66E+05 6.52E+05 2.55E+05 5.61E+05 3.95E+05 5.36E+05 6.48E+05 5.81E+05 9.43E+05 9.92E+05 9.17E+05 3.62E+05 5.23E+05 2.59E+05 1.75E+05 6.79E+05 2.19E+05 5.18E+05 5.69E+05 5.52E+05 2.6E+05 4.51E+05 7.03E+05 5.63E+05 5.01E+05 9.5E+05 4.42E+05 6.47E+05 4.31E+05 1.47E+05 1.7E+05 9.37E+05 3.52E+05 4.44E+05 2.3E+05 2.09E+05 6.01E+05 1.76E+05 5.01E+05 4.84E+05 6.89E+05 3.64E+05 5.58E+05 3.03E+05 Dihydroclavaminic acid_2 1.42E+05 3.58E+04 7.26E+03 4.32E+03 5.28E+03 7.24E+04 8.01E+03 1.06E+03 5.19E+03 4.18E+03 5.15E+04 2.26E+04 8.94E+03 3.4E+04 8.42E+03 8.17E+03 1.95E+04 3.68E+05 3.29E+04 1.13E+04 2.47E+03 4.28E+04 1.01E+04 4.24E+04 1.02E+04 1.14E+04 7.14E+03 8.41E+03 1.24E+04 6.12E+04 1.47E+05 8.06E+04 1.59E+03 9.36E+03 8.42E+04 977 5.29E+04 4.72E+03 9.71E+03 3.32E+04 5.13E+04 7.38E+03 3.93E+03 3.08E+03 1.18E+04 7.67E+03 1.13E+04 3.86E+03 3.12E+03 6.5E+03 2.27E+05 Diisopropyl phosphate 2.97E+05 6.15E+05 1.68E+05 2.02E+05 2.13E+05 4.8E+05 1.06E+05 1.63E+05 6E+05 5.79E+05 2.39E+05 6.35E+05 5.47E+05 8.59E+04 2.09E+05 1.2E+05 8.32E+05 7.41E+05 1.87E+05 6.39E+05 2.01E+04 5.31E+05 2.47E+05 3.14E+05 2.84E+05 3.31E+05 6.22E+05 7.9E+04 2.61E+05 1.58E+05 2.79E+05 1.31E+05 9.43E+04 2.28E+05 1.6E+05 2.37E+05 1.03E+05 1.29E+05 1.19E+05 1.42E+05 1.72E+05 1.42E+05 2.02E+05 2.67E+05 2.35E+05 5.13E+05 1.83E+05 1.93E+05 1.73E+05 2.89E+05 2.64E+05 Diisopropyl phthalate_1 1.31E+07 2.33E+06 6.71E+06 2.27E+06 1.64E+06 2.85E+06 2.06E+06 5.18E+05 5.54E+06 3.98E+06 6.56E+05 3.35E+06 1.22E+06 4.07E+06 1.95E+06 7.17E+06 4.61E+06 3.63E+06 1.57E+06 2.33E+06 3.96E+06 1.6E+07 3E+06 1.79E+06 1.05E+06 2.49E+06 2.47E+06 4.83E+06 5.22E+06 4.07E+06 4.72E+06 2.51E+06 2.04E+06 5.78E+06 4.19E+06 3.1E+06 3.31E+06 4.43E+06 7.08E+06 2.21E+06 4.02E+06 2.7E+06 2.81E+06 2.57E+06 4.04E+06 3.74E+06 1.11E+07 3.85E+06 3.25E+06 8.97E+06 2.68E+06 Diisopropyl phthalate_2 2.61E+03 1.18E+03 2.55E+03 2.63E+03 1.26E+03 4.12E+03 2.66E+03 5.04E+03 1.4E+03 1.07E+03 8.1E+03 4.95E+03 2.77E+04 7.96E+03 2.6E+03 4.06E+03 2.56E+03 2.31E+03 2.85E+03 2.7E+03 1.32E+03 4.83E+03 5.16E+03 1.36E+03 3.69E+03 2.46E+03 5.05E+03 6.34E+03 2.67E+03 3.1E+03 4.38E+03 990 1.97E+03 2.34E+03 3.02E+03 2.13E+03 1.31E+03 9.35E+03 1.29E+03 4.21E+03 2.17E+03 2.91E+03 3.95E+03 3.38E+03 1.3E+03 6.06E+03 3.24E+03 2.48E+03 3.05E+03 3.91E+03 1.69E+03 Dikegulac 3.2E+05 1.39E+05 2E+05 3.8E+05 3.54E+05 1.89E+05 2.18E+05 3.45E+05 2.34E+05 1.69E+05 2.17E+05 1.97E+04 2.03E+05 2.26E+05 2.55E+05 5.73E+05 1.6E+05 3.32E+05 7.27E+05 1.55E+05 3.77E+05 7.68E+05 7.28E+05 6.41E+04 9.36E+04 1.57E+05 1.41E+05 1.52E+05 6.64E+05 5.99E+05 1.76E+05 1.51E+05 4.55E+05 1.93E+05 2.32E+05 1.78E+05 1.55E+05 1.45E+05 1.83E+05 1.25E+05 3.38E+05 2.87E+05 2.46E+05 1.8E+05 4.18E+05 1.54E+05 7.95E+05 1.58E+05 1.87E+05 1.26E+05 2.37E+05 Diltiazem 0 0 4.95E+03 0 4.14E+03 0 0 6.46E+03 1.71E+03 1.67E+03 9.84E+03 0 0 0 0 1.85E+03 2.08E+03 0 0 1.15E+04 0 0 0 0 2.53E+03 4.32E+03 2.33E+03 0 0 0 0 0 0 1.28E+04 1.88E+03 3.72E+03 0 0 2.29E+03 0 0 0 0 1.61E+03 0 1.43E+04 1.14E+04 0 0 0 0 Dimethachlor_1 1.33E+06 1.48E+06 1.4E+06 2.33E+06 4.88E+05 1.19E+06 6.12E+05 6.23E+05 1.25E+06 1.97E+06 1.33E+06 1.34E+06 1.93E+06 1.41E+06 7.54E+05 8.7E+05 4.27E+05 6.68E+05 7.91E+05 6.32E+05 1.78E+06 1.46E+06 2.54E+06 9.33E+05 4.62E+05 1.28E+06 9.48E+05 5.05E+05 2.21E+06 4.61E+05 1.07E+06 9.7E+05 9.54E+05 1.78E+06 7.25E+05 4.69E+05 2.03E+06 4.76E+05 1.45E+06 2.76E+06 9.97E+05 1.33E+06 7.16E+05 8.24E+05 1.07E+06 8.87E+05 5.39E+06 4.43E+05 1.07E+06 1.46E+06 1.41E+06 Dimethachlor_2 1.48E+03 1.71E+03 1.54E+03 0 1.65E+03 0 1.83E+03 0 0 0 1.79E+03 1.83E+03 0 0 0 0 0 0 0 1.94E+03 0 2.85E+03 1.66E+03 1.97E+03 0 0 0 0 0 0 1.97E+03 0 0 3.06E+03 2E+03 1.68E+03 0 0 0 2.76E+03 0 0 0 2.03E+03 0 0 6.09E+03 0 2.45E+03 2.2E+03 1.62E+03 Dimethylcarbamoyl chloride 1.98E+05 8.94E+05 7.98E+05 6.77E+05 5.18E+05 4.41E+05 6.05E+05 1.72E+06 9.38E+05 8.71E+05 1.57E+06 5.63E+05 7.82E+05 1.13E+06 7.62E+05 9.35E+05 1.91E+06 9.19E+05 1.1E+06 1.05E+06 1.34E+06 4.63E+05 1.07E+06 4.72E+05 3.47E+06 7.07E+05 1.31E+06 1.51E+05 3.64E+05 8.08E+05 9.6E+05 1.3E+06 6.62E+05 5.98E+05 1.15E+06 2.92E+05 5.93E+05 4.54E+05 6.93E+05 6.66E+05 9.99E+05 6.68E+05 7.19E+05 7.4E+05 9.82E+05 2.83E+06 1.29E+06 5.85E+05 4.18E+05 1.19E+06 8.96E+05 Dimethylenetriurea 1.33E+04 1.52E+03 2.86E+03 845 1.29E+03 1.96E+03 0 1.75E+03 1.24E+03 1.48E+03 1.91E+03 3.28E+03 4.61E+03 5.1E+03 0 1.44E+03 1.69E+03 1.35E+03 2.07E+03 1.78E+03 1.58E+03 2.48E+04 1.28E+03 1.55E+03 0 1.84E+03 3.48E+03 1.56E+03 2.07E+03 2.12E+03 1.72E+04 1.3E+03 0 8.05E+03 5.59E+03 2.05E+03 3.48E+03 2.83E+03 6.08E+03 0 1.54E+03 1.95E+03 0 1.65E+03 7.74E+03 8.11E+03 3.32E+03 2.13E+03 943 5.82E+03 1.51E+03 Dinotefuran 3.52E+06 2.61E+06 3.61E+06 2.94E+06 5.2E+06 2.21E+06 2.78E+06 4.57E+06 5.31E+06 2.05E+06 6.11E+06 3.12E+06 2.63E+06 2.08E+06 1.87E+06 3.83E+06 7.07E+06 3.63E+06 3.64E+06 3.26E+06 2.43E+06 3.8E+06 4.58E+06 3.07E+06 9.59E+06 1.97E+06 3.07E+06 2.41E+06 1.97E+06 2.96E+06 1.91E+06 3.69E+06 3.19E+06 1.78E+06 2.55E+06 2.21E+06 2.46E+06 2.38E+06 1.81E+06 1.2E+06 3.12E+06 2.46E+06 1.51E+06 2.69E+06 3.82E+06 5.15E+06 5.33E+06 3.08E+06 3.19E+06 1.87E+06 3.23E+06 Diphenhydramine 1.69E+07 1.56E+03 1.39E+03 8.68E+03 0 0 1.84E+03 0 0 0 0 3.8E+03 0 1.32E+03 1.45E+03 1.31E+03 0 0 1.39E+05 0 0 0 0 0 0 0 0 0 0 0 1.28E+03 0 0 1.45E+03 1.5E+03 0 0 0 0 0 1.61E+03 0 0 0 0 0 1.42E+03 0 1.41E+03 0 1.35E+03 Distigmine 0 0 0 0 0 0 0 0 1.07E+03 0 0 0 0 0 0 0 0 1.1E+03 0 1.52E+04 0 0 0 0 2.9E+03 0 0 0 0 0 0 1.58E+03 0 2.34E+04 3.25E+03 0 0 0 0 0 0 0 0 0 1.04E+03 5.02E+03 0 0 9.7E+03 0 0 D-Lysopine_1 2.38E+05 1.21E+06 1.77E+05 2.97E+05 2.77E+05 2.01E+05 7.58E+05 4.21E+05 2.3E+05 1.36E+05 2.54E+05 8.27E+05 6.87E+04 3.7E+05 1.46E+05 9.59E+04 3.76E+05 4.94E+05 5.61E+05 1.33E+05 1.14E+05 2.55E+05 2.97E+05 1.22E+05 1.32E+05 1.02E+05 2.48E+05 4.85E+05 6.03E+04 2.38E+05 2.17E+05 1.2E+05 2.22E+05 1.15E+05 3.03E+05 4.41E+04 4.27E+05 1.15E+05 1.16E+05 5.78E+04 2.93E+05 6.19E+05 1.04E+05 1.18E+05 9.26E+04 1.52E+05 2.35E+05 1.07E+05 1.81E+05 1.72E+05 6.74E+05 D-Lysopine_2 1.85E+05 1.88E+04 1.04E+04 1.15E+04 3.57E+03 5.19E+04 1.71E+04 1.43E+04 1.71E+04 1.22E+04 3.35E+04 9.2E+04 1.53E+04 5.05E+04 6.45E+04 3.57E+03 9.64E+04 3.27E+05 1.36E+05 1.35E+04 6.77E+04 5.06E+04 3.77E+04 1.38E+04 6.38E+04 2.52E+04 3.42E+04 2.55E+04 6.65E+03 1.78E+05 1.81E+04 1.26E+04 4.69E+03 4.38E+03 7.37E+04 6.99E+03 9.8E+04 3.42E+04 2.64E+03 3.3E+04 6.46E+04 4.18E+04 7.09E+03 1.11E+04 3.12E+04 1.59E+04 1.01E+05 1.04E+04 7.34E+03 1.79E+04 1.47E+05 D-Lysopine_3 4.99E+04 3.2E+03 0 1.48E+03 3.63E+03 2.69E+04 3.98E+03 2.4E+03 0 3.03E+03 3.07E+03 2.6E+03 2.94E+03 2E+04 5.86E+04 0 1.92E+04 8.68E+04 3.17E+03 7.11E+03 2.3E+03 4.48E+04 2.22E+03 5.67E+03 5.38E+03 7.17E+03 0 2.03E+03 3.24E+03 7.15E+04 8.79E+04 3.01E+03 7.26E+03 0 2.73E+04 0 3.41E+03 6.07E+03 4.57E+03 0 5.01E+04 0 3.08E+03 1.76E+04 3.79E+03 4.13E+03 2.46E+03 2.01E+03 2.43E+03 1.6E+04 1.01E+05 D-Octopine_1 5.03E+05 5.18E+04 6.67E+04 1.49E+05 1.59E+05 8.25E+04 5.88E+04 1.22E+04 2.59E+04 1.62E+05 2.87E+05 3.06E+05 2.46E+03 1.01E+05 8.75E+03 4.22E+04 4.65E+04 8.63E+03 2.88E+03 1.48E+04 8.82E+04 9.88E+04 8.37E+03 3.36E+03 5.52E+03 2.57E+04 1.71E+04 3.04E+03 9.21E+03 7.96E+04 3.76E+04 3.04E+04 4.65E+04 7.28E+04 8.32E+03 3.7E+04 1.01E+04 1.6E+05 1.63E+05 1.81E+03 1.17E+05 9.3E+03 2.79E+04 1.87E+04 2E+04 1.03E+05 2.35E+06 1.89E+04 2.02E+03 1.72E+04 6.58E+04 D-Octopine_2 1.82E+03 7.26E+03 8.12E+03 8.29E+04 2.26E+04 6.88E+03 2.58E+03 1.7E+04 3.92E+04 1.41E+05 5.24E+04 8.17E+03 1.22E+04 1.4E+04 1.82E+05 7.91E+04 1.48E+05 3.88E+04 1.47E+03 4.79E+04 1.54E+03 1.36E+03 9.39E+03 1.85E+03 5.29E+03 2.09E+03 9.16E+03 1.3E+04 4.76E+03 1.53E+05 8.54E+04 2.77E+04 2.04E+05 9.47E+03 4.18E+04 2.18E+04 2.85E+03 1.37E+04 1.89E+04 5.7E+03 8.25E+04 1.83E+03 0 2.31E+05 0 8.44E+04 1.59E+04 2.61E+04 2.4E+03 1.21E+03 0 Dodecanamide 4.17E+08 4.24E+08 4.27E+08 4.2E+08 4.2E+08 4.31E+08 4.07E+08 4.21E+08 4.28E+08 4.16E+08 4.22E+08 4.2E+08 4.26E+08 4.18E+08 4.26E+08 4.08E+08 4.08E+08 4.15E+08 4.18E+08 4.19E+08 4.16E+08 4.13E+08 4.14E+08 4.13E+08 4.27E+08 4.3E+08 4.22E+08 4.18E+08 4.28E+08 4.22E+08 4.1E+08 4.23E+08 4.27E+08 4.19E+08 4E+08 4.26E+08 4.16E+08 4.23E+08 3.83E+08 4.16E+08 4.07E+08 3.97E+08 4.02E+08 4.05E+08 4.01E+08 4.11E+08 4.06E+08 4E+08 3.96E+08 4E+08 4.22E+08 Dodemorph 8.19E+06 8.02E+06 5.46E+06 7.49E+06 7.76E+06 7.85E+06 7.12E+06 7.81E+06 7.81E+06 7.7E+06 7.72E+06 7.68E+06 7.65E+06 7.77E+06 7.74E+06 7.54E+06 7.56E+06 7.59E+06 7.5E+06 7.84E+06 7.33E+06 8.34E+06 7.23E+06 7.35E+06 7.75E+06 7.81E+06 7.77E+06 8.49E+06 7.62E+06 7.39E+06 8.26E+06 7.72E+06 8.11E+06 8.12E+06 8.2E+06 8.07E+06 8.71E+06 8.4E+06 7.65E+06 8.16E+06 9.89E+06 7.87E+06 8.45E+06 8.17E+06 7.84E+06 8.61E+06 9.6E+06 7.38E+06 8.36E+06 8.13E+06 8.09E+06 D-Ribose 8.98E+05 1.46E+06 3.62E+05 1.39E+06 9.43E+05 9.79E+05 9.15E+05 9.17E+05 6.27E+05 3.35E+05 3.05E+05 2.66E+06 1.09E+06 2.52E+05 4.65E+05 3.51E+05 5.72E+05 2.36E+05 8.03E+05 6.67E+05 5.18E+05 1.22E+06 6.3E+05 1.25E+06 7.66E+05 1.09E+06 6.21E+05 1.45E+06 1.1E+06 3.98E+05 7.9E+05 3.87E+05 3.62E+05 3.84E+05 6.7E+05 1.04E+06 1.17E+06 6.49E+05 3.65E+05 1.45E+06 5.8E+05 7.02E+05 3.82E+05 2.96E+05 1.17E+06 3.13E+05 9.16E+05 3.46E+05 7.72E+05 6.43E+05 1.14E+06 D-SORBITOL 3.32E+06 1.21E+06 1.21E+06 1.07E+06 1.17E+06 3.13E+06 9.52E+05 4.7E+05 2.33E+06 1.16E+06 7.66E+06 1.63E+06 1.21E+06 4.62E+06 1.78E+06 5.22E+06 4.72E+06 4.68E+05 1.45E+06 3.59E+06 1.29E+06 1.86E+06 1.1E+06 2.39E+06 1.25E+07 4.29E+06 1.24E+06 1.04E+06 5.78E+06 1.5E+06 5.54E+05 5.92E+06 9.78E+05 1.04E+07 3.65E+06 1.05E+06 1.61E+06 9.37E+06 2.57E+06 3.71E+06 5.82E+06 1.49E+06 9.34E+05 1.34E+06 6.15E+05 5.69E+06 3.22E+07 2.09E+06 3.28E+06 9.3E+05 1.83E+06 dUMP 1.09E+07 1.08E+07 5.61E+06 9.05E+06 8.8E+06 7.74E+06 6.86E+06 8.98E+06 4.84E+06 7.78E+06 7.63E+06 9.62E+06 6.23E+06 1.13E+07 1.03E+07 5.55E+06 1.02E+07 5.03E+06 7.7E+06 1.16E+07 7.32E+06 7.98E+06 6.35E+06 6.26E+06 9.84E+06 1.14E+07 8.31E+06 6.44E+06 9.9E+06 6.47E+06 7.85E+06 1.13E+07 5.04E+06 8.71E+06 1.13E+07 5.72E+06 7.51E+06 1.25E+07 1.51E+07 1.01E+07 9.52E+06 8.16E+06 5.93E+06 6.19E+06 6.31E+06 9.28E+06 8.72E+06 7.06E+06 1.02E+07 7.55E+06 8.55E+06 D-Xylonate 5.28E+06 1.12E+05 1.1E+06 1.04E+05 6.86E+05 1.35E+06 1.21E+06 1.79E+03 2.97E+05 1.33E+06 2.5E+06 1.71E+06 6.32E+06 1.67E+06 8.07E+04 7.42E+03 1.6E+05 7.98E+05 4.71E+05 1.35E+06 2.14E+06 6.48E+05 3.51E+06 3.4E+06 2.4E+06 1.05E+06 8.32E+04 1.31E+06 3.75E+06 2.04E+05 2.08E+06 1.05E+06 1.72E+06 1.15E+06 1.56E+06 1.1E+06 3.88E+06 1.32E+05 4.66E+05 5.76E+05 3.54E+05 1.04E+05 1.85E+06 5.51E+05 9.79E+05 6.51E+04 9.81E+05 3.62E+05 1.1E+04 1.23E+06 3.28E+05 Ectoine 1.8E+06 1.33E+06 2.64E+06 7.79E+06 2.54E+06 3.58E+06 2.12E+06 1.5E+06 1.48E+06 2.63E+06 4.91E+05 1.88E+06 1.4E+06 1.28E+06 1.75E+06 1.36E+06 1.72E+06 3.56E+06 2.16E+06 2.94E+06 1.43E+07 2.97E+06 1.13E+06 2.09E+06 1.06E+06 2.75E+06 1.1E+06 3.52E+06 1.12E+06 1.74E+06 1.18E+06 1.51E+06 2.31E+06 1.59E+06 2.48E+06 1.66E+06 5.67E+06 3.8E+06 1.32E+06 3.3E+06 1.01E+06 1.08E+07 3.6E+06 1.76E+06 3.38E+06 8.21E+05 1.16E+06 5.51E+06 1.16E+07 2.76E+06 9.58E+06 EDTA 0 4E+03 3.4E+03 0 0 5.84E+03 3.96E+03 0 2.72E+03 1.37E+04 0 0 3.6E+03 0 0 3.16E+03 0 0 0 2.8E+03 5.03E+03 0 6.06E+03 2.02E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4.8E+03 0 0 0 2.34E+03 0 0 0 4.25E+03 0 Emedastine 0 0 1.06E+03 0 0 0 0 0 0 0 0 0 0 0 1.55E+03 0 0 0 1.06E+03 1.46E+03 0 0 0 0 0 0 0 0 1.43E+03 0 1.53E+03 0 0 7.6E+03 1.62E+03 0 0 0 0 0 0 0 0 0 0 0 1.2E+03 0 2.48E+03 0 0 epsilon-Caprolactam_1 1.99E+07 1.38E+07 1.93E+07 1.61E+07 1.82E+07 1.79E+07 1.58E+07 1.36E+07 1.81E+07 2.15E+07 2.59E+07 2.33E+07 1.59E+07 1.59E+07 1.52E+07 1.57E+07 1.55E+07 2.46E+07 1.65E+07 1.5E+07 1.46E+07 1.36E+07 1.74E+07 1.43E+07 2.77E+07 1.58E+07 1.55E+07 1.85E+07 1.64E+07 1.73E+07 1.36E+07 2.29E+07 1.72E+07 1.34E+07 1.26E+07 1.63E+07 1.53E+07 1.94E+07 1.42E+07 2.14E+07 2.66E+07 1.73E+07 1.4E+07 2.13E+07 1.38E+07 1.41E+07 2.94E+07 2.93E+07 1.91E+07 1.34E+07 1.8E+07 epsilon-Caprolactam_2 1.96E+06 1.98E+06 2.54E+06 1.74E+06 3.75E+06 1.44E+06 1.87E+06 5.3E+06 2.94E+06 2.16E+06 3.67E+06 1.78E+06 4.2E+06 1.91E+06 2.7E+06 2.62E+06 3.43E+06 3.1E+06 2.45E+06 2.77E+06 2.18E+06 2.03E+06 3.27E+06 2.34E+06 4.3E+06 1.23E+06 2.78E+06 2.03E+06 1.06E+06 2.55E+06 1.89E+06 2.5E+06 2.58E+06 2.16E+06 2.02E+06 2.67E+06 1.83E+06 1.86E+06 1.79E+06 1.29E+06 2.71E+06 2.6E+06 1.97E+06 2.69E+06 2.14E+06 4.2E+06 3.62E+06 2.2E+06 1.8E+06 2.46E+06 1.61E+06 Estradiol-17beta 3-sulfate 2.8E+04 3.96E+03 4.12E+03 1.28E+03 4.49E+03 6.25E+03 7.14E+03 4.85E+03 8.46E+03 3.2E+03 1.48E+04 4.71E+03 6.66E+03 4.38E+04 1.8E+04 8.77E+03 2.91E+03 7.86E+03 7.66E+03 5.19E+04 5.51E+03 1.25E+04 3.36E+03 1.09E+04 4.75E+03 4.06E+03 3.71E+03 1.36E+03 3.32E+03 2.08E+04 8.75E+03 3.11E+03 2.31E+03 1.05E+05 1.54E+04 3.53E+03 6.75E+03 7.72E+03 1.63E+03 2.96E+03 3.27E+03 3.65E+03 5.55E+03 7.66E+03 2.38E+04 7.29E+03 5.24E+03 1.26E+04 7.05E+04 5.33E+03 3.15E+04 Ethosuximide_1 1.8E+06 8.84E+05 2.09E+06 1.07E+06 1.6E+06 7.27E+05 1.23E+06 1.4E+06 1.83E+06 1.24E+06 1.8E+06 1.79E+06 1.26E+06 1.65E+06 1.26E+06 8.5E+05 6.66E+05 2.39E+06 6.85E+05 5.85E+05 7.26E+05 5.14E+05 7.58E+05 7.39E+05 1.76E+06 6.65E+05 1.36E+06 1.3E+06 1.15E+06 1.49E+06 1.48E+06 1.42E+06 1.53E+06 8.57E+05 8.2E+05 1.3E+06 8.13E+05 7.7E+05 9.21E+05 1.23E+06 1.04E+06 1.05E+06 5.46E+05 1.99E+06 6.79E+05 5.69E+05 1.6E+06 2.23E+06 1.35E+06 1.21E+06 9.59E+05 Ethosuximide_2 8.59E+05 8.95E+05 1.1E+06 7.4E+05 1.56E+06 6.09E+05 8.15E+05 2.3E+06 1.23E+06 8.6E+05 1.48E+06 7.74E+05 1.73E+06 8.17E+05 1.07E+06 1.03E+06 1.45E+06 1.24E+06 9.85E+05 1.15E+06 8.44E+05 8.05E+05 1.26E+06 1.04E+06 1.67E+06 5.18E+05 1.18E+06 8.22E+05 4.52E+05 1.07E+06 7.81E+05 9.51E+05 1.01E+06 8.56E+05 7.84E+05 1.07E+06 6.81E+05 6.98E+05 6.54E+05 4.97E+05 1.04E+06 1.02E+06 7.1E+05 1.06E+06 8.13E+05 1.74E+06 1.57E+06 8.67E+05 7.45E+05 9.97E+05 7.48E+05 Ethosuximide_3 9.55E+05 5.86E+05 1.69E+06 4.2E+05 9.06E+05 6.19E+05 3.55E+05 6.33E+05 5.66E+05 2.94E+05 7.24E+05 4.63E+05 9.7E+05 7.82E+05 6.56E+05 4.66E+05 9.89E+05 1.99E+06 4.75E+05 5.55E+05 5.57E+05 4.01E+05 1.46E+06 6.18E+05 1.33E+06 4.41E+05 6.01E+05 3.23E+05 7.3E+05 6.46E+05 6.06E+05 1.68E+06 1.08E+06 5.36E+05 6.34E+05 6.2E+05 6.47E+05 2.48E+05 3.43E+05 8.03E+05 7.44E+05 3.59E+05 7.42E+04 8.53E+05 4.47E+05 9.59E+05 7.34E+05 1.48E+06 1.62E+05 3.69E+05 1.07E+06 Ethosuximide_4 1.07E+05 4.71E+05 6.91E+05 2.07E+05 1.93E+05 6.37E+05 2.45E+05 4.48E+05 4.4E+05 2.99E+05 6.1E+05 8.18E+05 8.66E+05 7.5E+05 3.89E+05 3.61E+05 2.16E+05 6.3E+05 6.15E+04 2.87E+05 3.24E+05 1.49E+05 9.69E+05 3.22E+05 5.12E+05 3.26E+05 1.82E+05 2.25E+05 2.48E+05 3.94E+05 1.3E+05 3.2E+05 8.26E+05 9.79E+04 1.57E+05 2.33E+05 1.72E+05 6.52E+04 1.33E+05 1.96E+05 1.01E+06 1.86E+05 1.71E+05 3.61E+05 3.37E+05 1.01E+05 4.4E+05 9.17E+05 1.63E+05 2.81E+05 2.03E+05 Ethosuximide_5 5.59E+05 3.7E+05 3.48E+05 1.6E+05 3.12E+05 3.66E+05 3.83E+05 1.73E+05 2.63E+05 1.7E+05 1.18E+05 2.68E+05 4.3E+05 5.05E+05 1.76E+05 1.75E+05 3.82E+05 8.5E+04 2.39E+05 2.88E+05 2.06E+05 1.23E+05 1.29E+05 5.29E+05 1.33E+05 2.52E+05 2.75E+05 1.96E+05 1.87E+05 5.49E+05 4.72E+05 9.78E+04 7.45E+04 4.19E+05 5.86E+05 3.97E+05 3.86E+05 2.52E+05 3.72E+05 3E+05 1.79E+05 8.54E+05 2.4E+05 8.93E+04 3.45E+05 1.54E+05 1.44E+05 9.28E+04 2.05E+05 2.44E+05 5.75E+05 Ethyl cinnamate 1.17E+04 1.99E+03 2.32E+03 2.12E+03 3.18E+03 2.84E+03 6.32E+03 4.32E+03 2.72E+03 2.32E+03 2.63E+03 2.38E+03 2.26E+03 1.93E+03 2.74E+03 2.68E+03 3.47E+03 3.09E+03 6.37E+03 3.24E+03 2.4E+03 5.38E+03 2.39E+03 2.27E+03 3.31E+03 2.92E+03 2.92E+03 2.44E+03 2.26E+03 1.15E+04 7.6E+03 2.37E+03 1.96E+03 2.75E+03 2.91E+03 2.84E+03 3.15E+03 1.39E+03 5.79E+03 2.25E+03 3.39E+03 1.16E+03 2.55E+03 1.58E+03 4.33E+03 4E+03 2.26E+03 2.68E+03 2.3E+03 2.67E+03 1.15E+04 Ethyl tiglate 1.3E+05 2.23E+05 1.64E+05 1.3E+05 1.48E+05 2.04E+05 1.25E+05 2.03E+05 2.47E+05 2.06E+05 1.83E+05 2.76E+05 4.91E+05 1.42E+05 2.26E+05 1.34E+05 2.29E+05 1.84E+05 1.69E+05 1.32E+05 1.45E+05 2.04E+05 8.88E+04 1.96E+05 7.97E+04 1.41E+05 2.06E+05 1.81E+05 1.37E+05 1.49E+05 3.05E+05 9.06E+04 2.15E+05 2.13E+05 2.38E+05 1.49E+05 1.96E+05 2.13E+05 1.9E+05 1.18E+05 1.85E+05 3.55E+05 1.49E+05 6.88E+04 9.53E+04 8.58E+04 1.47E+05 2.04E+05 1.78E+05 1.18E+05 1.15E+05 Etidronic acid 1.12E+06 9.6E+05 1.08E+06 6.34E+05 6.54E+05 7.31E+05 1.89E+06 1.1E+06 7.7E+05 8.22E+05 3.22E+05 4.63E+05 5.15E+06 4.6E+05 6.51E+05 6.13E+05 5.69E+05 1.23E+06 5.89E+05 5.95E+05 5.43E+05 9.45E+05 6.7E+05 1.59E+06 4.08E+05 7.08E+05 9.83E+05 5.24E+05 5.51E+05 5.33E+05 9.24E+05 8.35E+05 1.68E+06 1.29E+06 9.89E+05 9.62E+05 1.2E+06 1.19E+06 1.18E+06 6.72E+05 4.46E+05 5E+06 9.15E+05 7.76E+05 1.07E+06 6.4E+05 5.58E+05 6.46E+05 5.08E+05 6.4E+05 6.96E+05 Etodolac 1.26E+07 4.92E+06 4.07E+06 4.75E+06 4.54E+06 4.07E+06 2.01E+06 8.46E+05 5.25E+06 4.7E+06 5.26E+06 6.59E+06 1.27E+06 6.23E+06 2.69E+06 8.54E+06 1.02E+07 4.26E+06 2.74E+06 4.18E+06 5.76E+06 4.73E+06 4.4E+06 3.5E+06 4.9E+06 3.99E+06 4.46E+06 3.94E+06 5.29E+06 5.51E+06 6.11E+06 3.99E+06 3.08E+06 5.59E+06 3.88E+06 5.11E+06 4.25E+06 9.1E+06 9.1E+06 3.02E+06 9.12E+06 3.03E+06 3.98E+06 2.63E+06 4.97E+06 8.04E+06 8.37E+06 4.92E+06 4.98E+06 1.03E+07 4.87E+06 Etomidate 3.52E+06 1.4E+04 6.81E+04 4.54E+04 5.9E+04 2.04E+05 6.57E+04 4.16E+03 4.9E+03 1.16E+05 1.3E+05 1.21E+04 7.72E+04 1.96E+06 8.36E+05 8.25E+04 1.41E+05 6.79E+05 5.93E+04 1.05E+05 1.02E+05 1.71E+06 4.6E+04 4.02E+05 1.01E+05 2.78E+04 3.23E+04 3.27E+04 1.47E+05 2.38E+06 1.58E+06 8.55E+04 7.86E+04 1.16E+05 2.11E+05 3.27E+04 1.93E+05 2.85E+05 7.65E+04 3.89E+05 7.9E+05 2.55E+05 5.14E+04 2.86E+05 1.37E+06 3.73E+04 7.16E+04 8.61E+04 1.11E+04 6.55E+04 2.44E+06 Euxanthone 3.29E+07 3.16E+07 2.25E+07 3.18E+07 3.35E+07 2.59E+07 2.44E+07 3.06E+07 1.98E+07 2.83E+07 2.83E+07 3.16E+07 2.5E+07 3.5E+07 3.1E+07 2.18E+07 3.34E+07 2.33E+07 2.75E+07 3.5E+07 2.75E+07 2.82E+07 2.57E+07 2.5E+07 3.2E+07 3.37E+07 3.28E+07 2.47E+07 3.14E+07 2.57E+07 2.82E+07 3.64E+07 2.18E+07 3.01E+07 3.38E+07 2.31E+07 2.77E+07 3.62E+07 3.88E+07 3.27E+07 3.16E+07 2.6E+07 2.28E+07 2.34E+07 2.69E+07 2.98E+07 2.66E+07 2.59E+07 3.27E+07 2.68E+07 2.7E+07 Fagomine_1 1.19E+07 1.14E+07 1.83E+07 1.84E+07 8.92E+06 1.43E+07 1.3E+07 1.22E+07 1.15E+07 1.62E+07 3.8E+06 1.38E+07 1.15E+07 8.17E+06 6.89E+06 1.25E+07 1.02E+07 3.41E+06 2.36E+07 1.01E+07 1.36E+07 8.32E+06 3E+06 1.16E+07 1.5E+06 9E+06 1.08E+07 1.96E+07 9.37E+06 1.09E+07 1.32E+07 1.64E+06 2.72E+06 1.18E+07 9.25E+06 2.64E+07 8.89E+06 9.48E+06 1.08E+07 9.97E+06 5.42E+06 1.09E+07 1.14E+07 4.96E+06 8.92E+06 2.27E+06 4.17E+06 1.89E+06 5.36E+06 1.34E+07 1.44E+07 Fagomine_2 8.66E+06 8.87E+06 1.16E+07 7.78E+06 7.65E+06 8.16E+06 7.71E+06 5.66E+06 1.09E+07 6.89E+06 8.79E+06 1.29E+07 5.9E+06 8.24E+06 8.89E+06 1.09E+07 9.59E+06 1.01E+07 7.93E+06 9.52E+06 7.25E+06 6.71E+06 7.38E+06 7.79E+06 7.92E+06 7.35E+06 7.99E+06 1.05E+07 7.68E+06 8.38E+06 8.32E+06 7.93E+06 1.16E+07 1.01E+07 8.49E+06 1.08E+07 7.93E+06 6.62E+06 1.05E+07 1.06E+07 9.76E+06 1.07E+07 6.66E+06 1.29E+07 7.04E+06 8.01E+06 7.9E+06 1.09E+07 1.14E+07 8.55E+06 1.03E+07 Fagomine_3 4.97E+06 3.04E+06 1.27E+07 4.69E+06 7E+06 3E+06 3.01E+06 3.56E+06 1.05E+07 3.78E+06 2.27E+06 4.08E+07 3.95E+06 5.81E+06 6.15E+06 8.87E+06 1.19E+07 1.4E+07 3.26E+06 7.41E+06 4.48E+06 4.33E+06 5.16E+06 2.9E+06 2.48E+06 3.23E+06 4.17E+06 2.41E+06 3.58E+06 9.41E+06 4.79E+06 4.55E+06 2.15E+07 3.07E+06 3.86E+06 3.05E+06 2.33E+06 1.51E+06 3.6E+06 7.2E+06 7.63E+06 3.03E+06 2.35E+06 4.09E+06 4.71E+06 1.68E+06 2.41E+06 5.13E+07 8.07E+06 2.44E+06 5.17E+06 Fagomine_4 4.7E+06 4.37E+06 6.3E+06 8.14E+06 2.68E+06 5.19E+06 4.4E+06 4.07E+06 3.97E+06 4.73E+06 1.31E+06 5.41E+06 3.1E+06 2.67E+06 2.24E+06 4.88E+06 3.72E+06 1.25E+06 9.57E+06 3.99E+06 4.14E+06 2.88E+06 8.8E+05 4.59E+06 6.15E+05 3.35E+06 4.3E+06 7.57E+06 3.14E+06 3.45E+06 5.07E+06 5.22E+05 1.18E+06 4.06E+06 3.98E+06 9.79E+06 3.58E+06 3.16E+06 3.79E+06 3.2E+06 1.62E+06 3.72E+06 3.74E+06 1.6E+06 3.37E+06 7.55E+05 1.14E+06 1.12E+06 1.86E+06 4.49E+06 4.73E+06 Fasoracetam 1.47E+07 1.23E+06 2.11E+06 1.48E+06 1.53E+06 3.13E+06 2.06E+06 8.62E+05 1.13E+06 1.81E+06 2.83E+06 1.21E+06 2.48E+06 6.63E+06 3.58E+06 1.38E+06 2.33E+06 2.68E+06 1.59E+06 2.21E+06 3.64E+06 4.67E+06 1.76E+06 3.12E+06 2.17E+06 2.15E+06 1.38E+06 1.53E+06 3.34E+06 5.76E+06 5.57E+06 1.51E+06 1.9E+06 3.09E+06 2.39E+06 1.83E+06 2.99E+06 1.82E+06 1.68E+06 2.7E+06 2.77E+06 1.9E+06 2.25E+06 8.9E+05 4.58E+06 1.14E+06 1.49E+06 2.48E+06 1.15E+06 2.97E+06 8.38E+06 Fenoldopam 4.25E+06 1.36E+05 8.53E+05 1.66E+05 2.86E+06 2.16E+06 2.35E+06 3.4E+05 7.65E+05 2.4E+05 2.27E+06 2.05E+05 3.32E+06 2.49E+05 2.43E+06 1.62E+06 4.06E+05 1.27E+06 1.26E+06 2.94E+05 7.99E+06 4.88E+05 2.81E+06 1.76E+06 5.61E+05 6.47E+04 1.95E+06 4.5E+05 1.2E+06 8.21E+05 1.98E+05 3.47E+05 4.45E+06 1.26E+05 4.56E+04 7.15E+06 3.59E+05 4.13E+04 5.93E+04 1.28E+07 6.46E+04 8.66E+04 8.37E+04 3.25E+05 7.19E+05 7.6E+05 1.69E+06 1.22E+06 1.11E+05 3.41E+05 4.85E+06 Fenpropathrin 3.44E+06 3.55E+05 2.28E+05 4.77E+04 2.67E+05 5.67E+04 4.89E+05 1.19E+05 4.69E+05 3.38E+05 7.55E+05 2.05E+05 2.06E+05 7.49E+04 2.12E+05 3.71E+04 5.84E+04 1.94E+05 1.29E+05 5.17E+03 1.83E+05 1.24E+06 1.84E+04 1.94E+05 2.75E+04 6.37E+04 1.39E+05 8.74E+03 2.45E+05 1.98E+04 5.22E+05 1.37E+04 3.12E+04 4.65E+05 1.37E+04 7.85E+04 6.08E+04 2.89E+05 1.68E+05 1.85E+03 3.69E+04 2E+05 3.73E+04 3.25E+04 2.14E+05 4.55E+04 2.43E+07 1.13E+04 5.58E+03 9.72E+04 2.96E+05 Feruloylputrescine 2.99E+05 1.91E+06 6.97E+04 2.41E+06 1.27E+06 1.37E+06 2.27E+06 2.29E+06 2.55E+05 9.07E+05 1.14E+06 3.05E+06 6.28E+05 2.32E+05 5.56E+04 4.88E+04 1.95E+06 6.2E+05 4.05E+05 6.64E+05 4.36E+05 3.25E+06 3.89E+06 2.27E+05 2.66E+05 5.2E+04 9.35E+05 1.95E+06 2.03E+05 9.35E+04 5.36E+05 1.52E+05 2.31E+05 5.26E+03 9.52E+05 8.16E+03 4.3E+05 7.62E+05 2.25E+04 3.24E+05 1.44E+06 2.59E+06 2.48E+04 4.63E+04 5.06E+05 3.18E+05 1.22E+05 5.81E+05 5.67E+05 1.25E+05 3.33E+06 Fexofenadine_1 3.66E+07 6.2E+06 4.11E+06 2.36E+07 7.17E+05 8.93E+05 1.08E+07 3.37E+06 8.15E+06 7.41E+05 4.21E+06 5.93E+06 8.63E+05 8.65E+06 1.09E+06 1.6E+07 7.87E+05 6.97E+06 1.43E+06 1.24E+06 1.12E+07 2.26E+07 7.53E+05 2.92E+06 1.34E+06 5.86E+06 2.06E+06 1.31E+06 6.08E+06 9.5E+06 1.03E+07 9.52E+05 1.44E+06 1.25E+07 4.96E+06 1.03E+07 8.2E+06 1.18E+06 2.01E+07 1.65E+06 1.12E+07 4.77E+06 7.57E+06 6.1E+06 9.97E+05 9.55E+06 5.01E+07 7.07E+06 9.87E+06 3.03E+07 1.01E+07 Fexofenadine_2 8.71E+06 1.84E+06 9.81E+06 7.21E+06 2.07E+06 2.44E+06 1.08E+07 1.97E+06 1.14E+06 3.34E+06 9.33E+06 7.87E+05 7.64E+05 2.31E+06 1.12E+06 2.56E+06 9.61E+05 1.49E+06 3E+06 3.18E+06 3.57E+06 3.58E+06 4.22E+06 3.35E+06 4.03E+06 1.52E+06 2.01E+06 3.06E+06 2.18E+06 1.04E+06 2.5E+06 2.9E+06 2.42E+06 3.03E+06 1.24E+06 2.56E+06 4.91E+06 1.78E+06 1.59E+06 2.82E+06 4.12E+06 2.42E+06 4.75E+06 4.26E+06 9.05E+05 2.79E+06 3.84E+06 6.73E+06 1.11E+06 2.7E+06 1.01E+07 Fexofenadine_3 9.01E+05 7.14E+06 1.69E+06 8.46E+06 8.68E+05 9.15E+05 1.87E+06 7.99E+05 1.29E+06 6.24E+05 8.77E+06 4.7E+05 1.01E+06 3.24E+05 1.02E+06 9.15E+05 9.43E+05 9.29E+05 2.31E+06 2.83E+05 5.01E+05 3.32E+05 7.25E+05 3.11E+06 1.11E+06 1.77E+06 1.49E+06 1.73E+06 3.08E+06 7.49E+05 4.88E+05 9.31E+05 1.66E+06 1.98E+06 3.16E+06 1.69E+06 3.7E+05 2.4E+06 1.02E+06 2.12E+06 2.45E+06 1.31E+06 1.79E+06 6.51E+05 1.07E+06 3.38E+06 1.15E+06 1.22E+06 2.16E+06 5.45E+05 1.89E+06 Fexofenadine_4 3.41E+05 2.26E+05 4.12E+06 3.43E+05 1.94E+05 5.29E+06 2.55E+05 2.07E+05 2.55E+05 1.21E+05 1.28E+06 3.54E+05 1.03E+05 5.22E+04 1.02E+06 1.41E+05 3.21E+05 8.71E+04 1.12E+05 1.42E+05 7.5E+05 3.63E+05 1.67E+05 1.7E+06 6.4E+05 1.82E+05 2.68E+05 7.71E+04 2.97E+04 5.52E+05 1.49E+06 4.78E+05 8.69E+04 2.52E+05 1.19E+05 2.29E+05 1.41E+06 9.53E+05 1.01E+06 5.09E+05 1.91E+05 1.33E+05 3.04E+05 4.36E+05 1.78E+05 2.01E+05 4.77E+05 4.88E+04 2.55E+05 1.58E+06 6.22E+05 Flumethasone 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.61E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.38E+03 0 0 0 0 0 0 0 0 0 0 0 1.39E+03 1.22E+03 0 0 0 Fluorene 8.3E+07 1.69E+04 7.17E+03 2.38E+03 5.62E+03 7.91E+03 7.7E+03 1.12E+04 2.56E+03 1.47E+04 1.03E+04 2.43E+05 6.8E+03 4.24E+03 4.82E+03 3.83E+03 3.97E+03 5.55E+03 2.15E+07 7.05E+03 3.38E+03 4.04E+03 1.77E+03 8.47E+03 3.29E+03 9.26E+03 9.72E+03 7.25E+03 7.25E+03 5.3E+03 1.31E+04 4.02E+03 5.85E+03 1.19E+04 5.19E+03 6.5E+03 4.85E+03 6.46E+03 1.05E+04 6.65E+03 8.01E+04 1.48E+04 3.43E+03 7.34E+03 5.79E+03 3.37E+04 5.11E+03 1.33E+05 2.28E+03 3.83E+03 880 Fuberidazole 6.12E+05 3.84E+05 3.3E+05 1.11E+06 6.96E+05 2.38E+05 1.72E+05 1.81E+05 4.69E+05 4.19E+05 5.79E+04 1.05E+06 2.03E+04 3.31E+05 1.64E+05 5.1E+05 7.56E+05 1.97E+05 5.85E+05 4E+05 5.16E+05 3.97E+05 9.1E+04 5.71E+05 9.28E+04 5.45E+05 5.44E+05 2.89E+06 2.12E+05 9.76E+05 7.51E+05 7.54E+04 9.39E+04 5.53E+05 9.91E+05 1.02E+06 4.97E+05 9.15E+05 8.34E+05 6.58E+05 2.31E+05 2.69E+05 5.74E+05 1.13E+05 5.51E+05 1.72E+05 1.37E+05 1.07E+05 9.61E+05 6.45E+05 6.61E+05 Fumarate 6.66E+05 1.06E+06 1.21E+06 5.53E+05 6.26E+05 6.56E+05 1.03E+06 2.67E+05 1.6E+05 6.41E+05 5.02E+05 4.24E+05 6.08E+05 4.66E+05 3.96E+05 3.49E+05 4.63E+05 1.39E+06 6.84E+05 5.98E+05 7.85E+05 6.47E+05 6.42E+05 9.58E+05 8E+05 6.36E+05 4.56E+05 9.84E+05 8.81E+05 5.99E+05 3.21E+05 5.53E+05 1.49E+06 7.07E+05 3.42E+05 7.26E+05 6.76E+05 7.05E+05 3.75E+05 1.05E+06 4.44E+05 1.07E+06 9.36E+05 6.65E+05 5.95E+05 8.11E+05 6.86E+05 3.74E+05 3.78E+05 8.41E+05 7.98E+05 Furathiocarb 1.46E+06 2.7E+05 4.45E+05 3.44E+05 4.69E+04 1.1E+05 1.66E+05 2.78E+04 1.13E+05 3.49E+05 4.07E+05 2.11E+05 1.1E+05 1.86E+05 1.46E+05 1.39E+05 1.18E+05 9.71E+04 2.08E+04 2.33E+04 6.09E+04 3.39E+05 7.61E+04 1.63E+05 3.08E+04 2.93E+04 7.26E+04 5.54E+04 8.27E+04 3.6E+04 1.56E+05 5.09E+04 2.9E+04 2.69E+05 2.47E+04 9.14E+04 1.46E+05 2.57E+05 1.95E+05 2.1E+03 1.25E+05 5.42E+04 3.45E+04 2.14E+04 1.53E+04 1.27E+05 3.38E+06 3.68E+04 3.36E+04 1.34E+05 7.89E+04 Furfural diethyl acetal_1 1.19E+06 7.61E+05 1.61E+06 7.65E+05 1.72E+06 9.1E+05 7.6E+05 1.62E+06 1.05E+06 1.55E+06 1.98E+06 8.93E+05 8.14E+05 9.58E+05 1.12E+06 1.54E+06 1.1E+06 1.09E+06 9.63E+05 2.91E+06 1.09E+06 1.23E+06 1.09E+06 7.85E+05 1.51E+06 1.05E+06 1.36E+06 7.7E+05 1.17E+06 8.79E+05 8.83E+05 9.17E+05 1.24E+06 1.79E+06 1.53E+06 1.72E+06 1.3E+06 1.21E+06 1.51E+06 1.11E+06 9.61E+05 9.05E+05 9.34E+05 8.66E+05 1.07E+06 2.1E+06 1.71E+06 1.66E+06 1.13E+06 1.07E+06 7.45E+05 Furfural diethyl acetal_2 1.45E+05 1.74E+05 1.66E+05 2.15E+05 1.06E+05 8.44E+04 2.27E+05 2.04E+05 1.55E+05 1.71E+05 1.8E+05 1.74E+05 1.69E+05 1.81E+05 1.89E+05 1.52E+05 1.43E+05 1.61E+05 1.14E+05 1.93E+05 1.59E+05 1.99E+05 1.96E+05 1.5E+05 1.66E+05 9.17E+04 1.69E+05 1.65E+05 1.92E+05 2.16E+05 1.45E+05 1.64E+05 1.58E+05 1.39E+05 1.1E+05 1.14E+05 1.15E+05 1.56E+05 8.5E+04 1.28E+05 1.76E+05 1.75E+05 1.4E+05 1.68E+05 1.83E+05 1.87E+05 6.09E+04 1.81E+05 2.03E+05 1.98E+05 2.68E+05 Furfuryl alcohol 2.78E+07 3.01E+07 2.17E+07 2.12E+07 2.2E+07 2.79E+07 2.86E+07 1.74E+07 2.28E+07 1.79E+07 2.49E+07 2.34E+07 1.93E+07 2.94E+07 2.73E+07 2.19E+07 2.45E+07 1.78E+07 1.95E+07 2.61E+07 1.79E+07 2.13E+07 1.87E+07 2.31E+07 2.38E+07 3.36E+07 2.43E+07 2.39E+07 2.48E+07 2.41E+07 2.65E+07 2.93E+07 1.89E+07 2.55E+07 2.54E+07 2.74E+07 2.37E+07 3.07E+07 3.16E+07 2.81E+07 2.18E+07 2.92E+07 1.78E+07 2.53E+07 1.9E+07 2.59E+07 2.56E+07 2.18E+07 2.54E+07 2.33E+07 2.42E+07 Furmecyclox 1.4E+06 0 1.63E+03 1.75E+03 1.54E+03 1.54E+03 0 0 0 0 0 0 3.37E+03 9.05E+05 3.11E+05 1.93E+03 6.93E+03 0 0 0 0 6.68E+05 0 1.63E+05 0 0 1.67E+03 0 0 9.5E+05 5.23E+05 0 1.63E+03 0 8.56E+04 1.67E+03 0 3.89E+04 5.57E+03 0 2.98E+05 0 0 6.36E+04 4.81E+05 1.73E+03 0 1.72E+03 0 1.66E+03 9.35E+05 gamma-Coniceine 6.39E+06 6.46E+06 6.48E+06 6.58E+06 6.71E+06 6.61E+06 6.34E+06 7.15E+06 6.92E+06 6.96E+06 6.3E+06 6.77E+06 6.76E+06 6.67E+06 6.64E+06 6.7E+06 6.87E+06 6.7E+06 6.7E+06 7.19E+06 6.89E+06 6.75E+06 6.51E+06 6.94E+06 6.91E+06 6.82E+06 6.75E+06 6.73E+06 6.66E+06 6.25E+06 6.57E+06 7.16E+06 6.16E+06 6.46E+06 6.51E+06 6.23E+06 6.5E+06 6.67E+06 6.39E+06 6.6E+06 2.72E+06 6.21E+06 6.64E+06 6.59E+06 6.37E+06 4.89E+06 6.48E+06 2.74E+06 6.45E+06 6.24E+06 6.18E+06 Glutarate_1 6.62E+06 7.35E+06 6.32E+06 6.18E+06 6.54E+06 7.84E+06 7.96E+06 5.74E+06 6.4E+06 5.69E+06 6.81E+06 6.43E+06 5.67E+06 8.8E+06 7.57E+06 6.05E+06 6.9E+06 5.35E+06 5.8E+06 7.91E+06 6.5E+06 6.73E+06 5.05E+06 7.24E+06 7.39E+06 1E+07 7.37E+06 6.86E+06 9.13E+06 7.14E+06 8.21E+06 7.48E+06 5.66E+06 6.44E+06 7.21E+06 9.42E+06 9.6E+06 1.06E+07 7.88E+06 3.83E+06 7.12E+06 9.73E+06 5.26E+06 6.21E+06 5.82E+06 8.2E+06 7.34E+06 5.47E+06 8.75E+06 6.11E+06 6.53E+06 Glutarate_2 1.81E+06 2.37E+06 1.08E+06 1.98E+06 1.61E+06 1.8E+06 1.73E+06 1.42E+06 1.13E+06 8.67E+05 9.23E+05 3.67E+06 1.8E+06 5.68E+05 1.15E+06 7.46E+05 1.43E+06 6.26E+05 1.38E+06 1.53E+06 8.45E+05 2.15E+06 1.16E+06 1.94E+06 1.46E+06 2.12E+06 1.23E+06 2.17E+06 1.87E+06 1.01E+06 1.57E+06 1.04E+06 7.67E+05 9.49E+05 1.55E+06 1.69E+06 1.89E+06 1.22E+06 1.12E+06 1.02E+07 1.58E+06 1.74E+06 9.65E+05 8.49E+05 1.81E+06 8.56E+05 1.48E+06 8E+05 1.91E+06 1.25E+06 1.87E+06 Glutarate_3 7.66E+05 8.37E+05 5.76E+05 9.7E+04 6.17E+05 7.47E+05 6.8E+05 4.44E+05 6.6E+05 2.17E+05 6.44E+05 8.65E+05 4.96E+05 1.25E+06 7.93E+05 6.98E+05 7.69E+05 5.45E+05 6.02E+05 7.71E+05 2.18E+05 7.46E+05 5.89E+05 3.09E+05 5.61E+05 7.87E+05 4.77E+05 7.89E+05 6.73E+05 1.12E+06 9.68E+05 7.59E+05 5.91E+05 6.32E+05 9.68E+05 7.59E+05 6E+05 5.56E+05 7.76E+05 8.73E+05 8.27E+05 9.56E+05 5.61E+05 8.21E+05 7.13E+05 5.97E+05 4.8E+05 6.13E+05 9.55E+05 7.28E+05 8.08E+05 Glutathione 7.97E+06 8.12E+06 8.28E+06 8.19E+06 7.94E+06 8.45E+06 7.98E+06 8.48E+06 8.54E+06 8.07E+06 8.25E+06 8.39E+06 8.54E+06 8.15E+06 8.45E+06 7.58E+06 7.98E+06 7.83E+06 7.68E+06 8.07E+06 8.09E+06 7.64E+06 8E+06 7.69E+06 7.81E+06 7.84E+06 7.5E+06 7.87E+06 7.98E+06 7.59E+06 7.74E+06 7.51E+06 7.85E+06 7.89E+06 7.44E+06 7.37E+06 7.51E+06 7.63E+06 7.03E+06 7.56E+06 7.4E+06 7.46E+06 7.39E+06 7.33E+06 7.21E+06 7.4E+06 8.34E+06 6.82E+06 7.67E+06 7.2E+06 8.02E+06 GLYCEROL 6.8E+07 1.28E+07 7.64E+06 9.85E+06 1.02E+07 4.37E+06 1.51E+07 1.01E+07 1.11E+07 1.16E+07 9.12E+06 6.02E+06 1.88E+07 4.31E+07 4.55E+07 1.03E+07 8.68E+06 1.01E+07 1.49E+07 7.06E+06 5.68E+06 6.17E+07 6.1E+06 1.23E+07 4.79E+06 6.93E+06 8.62E+06 5.65E+06 1.29E+07 6.85E+07 3.24E+07 7.69E+06 1.21E+07 1.57E+07 2.47E+07 7E+06 6.39E+06 1.43E+07 1.64E+07 5.93E+06 2.91E+07 2.32E+07 7.11E+06 8.14E+06 4.4E+07 5.96E+06 1.69E+07 4.23E+06 5.05E+06 7.83E+06 2.73E+07 Glycerol 3.41E+07 5.4E+06 3.44E+06 4.03E+06 4.69E+06 1.83E+06 6.78E+06 4.47E+06 4.74E+06 4.71E+06 4E+06 2.4E+06 8.96E+06 2.2E+07 2.36E+07 4.19E+06 3.15E+06 4.2E+06 6.84E+06 2.8E+06 2.37E+06 2.64E+07 1.97E+06 5.2E+06 1.72E+06 2.97E+06 3.71E+06 2.03E+06 5.67E+06 3.31E+07 1.58E+07 2.92E+06 4.85E+06 6.43E+06 1.09E+07 2.51E+06 2.31E+06 6.11E+06 6.94E+06 2.16E+06 1.22E+07 1E+07 2.73E+06 3.24E+06 1.95E+07 2.3E+06 7.64E+06 1.54E+06 2E+06 3.09E+06 1.4E+07 Glycerone_1 1.05E+06 8.99E+05 3.4E+05 8.3E+05 7.36E+05 4.22E+05 3.78E+05 4.75E+05 1.25E+05 1.9E+05 5.09E+05 7.89E+05 3.75E+05 9.25E+05 6.79E+05 1.6E+05 7.79E+05 2.67E+05 4.24E+05 9.15E+05 3.53E+05 5.22E+05 4.02E+05 3.65E+05 7.84E+05 9.01E+05 6.68E+05 4.48E+05 7.69E+05 4.72E+05 6.27E+05 9.79E+05 2.34E+05 5.06E+05 9.35E+05 3.17E+05 4.81E+05 1.02E+06 1.79E+06 8.7E+05 7.03E+05 4.42E+05 1.94E+05 2.1E+05 4E+05 6.08E+05 6.73E+05 3.96E+05 8.18E+05 3.75E+05 8.26E+05 Glycerone_2 5.58E+05 7.32E+05 8.22E+05 5.65E+05 4.81E+05 6.56E+05 8.07E+05 6.11E+05 4.46E+05 4.68E+05 4.25E+05 9.47E+05 1.73E+06 7.1E+05 8.75E+05 4.32E+05 5.47E+05 4.32E+05 8.91E+05 5.9E+05 3.58E+05 5.18E+05 8.36E+05 3.92E+05 1.74E+06 9.49E+05 5.96E+05 5.74E+05 6.02E+05 5.56E+05 1.16E+06 5.49E+05 4.85E+05 7.1E+05 6.2E+05 7.14E+05 5.98E+05 6.39E+05 1.31E+06 6.38E+05 1E+06 6.94E+05 4.15E+05 5.34E+05 4.59E+05 1.11E+06 1.18E+06 1.07E+06 5.24E+05 5.59E+05 5.98E+05 Glycidyl oleate 5.65E+05 1.65E+05 7.34E+04 1.66E+05 5.2E+05 2.34E+05 1.13E+05 3.06E+04 1.22E+05 4.15E+05 4.04E+05 5.65E+05 1.19E+05 4.51E+05 3.52E+05 9.33E+05 3.81E+05 2.3E+05 6.79E+04 7.21E+05 3.54E+05 6.4E+05 4.89E+04 1.71E+05 1.92E+05 3.68E+05 1.2E+06 5.86E+04 3.75E+05 4.53E+05 2.74E+05 3.24E+05 1.62E+05 2.53E+05 1.56E+05 3.9E+05 2.05E+05 1.02E+06 1.19E+06 4.03E+04 6.68E+05 1.88E+05 2.78E+05 3.11E+04 2.69E+05 9.08E+05 6.77E+05 2.54E+05 1.79E+05 3.9E+05 2.94E+05 GLYCINE 4.54E+06 4.17E+06 1.1E+06 2.55E+06 2.53E+06 3.54E+06 6.91E+06 1.49E+06 4.85E+06 2.5E+06 1.84E+06 3.55E+06 8.43E+05 4.31E+06 2.52E+06 4.51E+06 1.5E+06 2.61E+06 4.41E+06 2.94E+06 5.82E+06 4.6E+06 3.15E+06 2.12E+06 6.38E+06 5.76E+06 3.89E+06 1.17E+06 5.23E+06 3.68E+06 2.99E+06 3.87E+06 2.35E+06 1.2E+06 1.21E+06 8.92E+05 7.64E+05 7.07E+05 3.24E+06 4.07E+06 2.39E+06 1.02E+06 5.25E+06 3.8E+06 1.56E+06 9.36E+05 4.61E+06 1.61E+06 5.32E+06 3.5E+06 5.96E+06 Glycine 1.62E+06 1.57E+06 1.25E+06 2.17E+06 8.44E+05 1.44E+06 3.75E+06 6.03E+05 1.94E+06 9.77E+05 1.37E+06 1.53E+06 2.76E+06 1.79E+06 6.57E+05 9.09E+05 1.55E+06 9.76E+05 1.05E+06 7.8E+05 1.97E+06 2.25E+06 2.35E+06 8.11E+05 2.04E+06 2.92E+06 6.26E+05 6.6E+05 1.25E+06 6.44E+05 7.44E+05 2.85E+06 2.15E+06 9.48E+05 7.11E+05 5.47E+05 6.22E+05 1.2E+06 1.47E+06 2.15E+06 7.89E+05 2.07E+06 1.64E+06 6.61E+05 1.41E+06 8.6E+05 2.66E+06 5.37E+05 1.86E+06 5.14E+05 2.51E+06 Glycocholate 1.11E+06 1.91E+06 3.84E+06 4.28E+05 2.15E+06 3.86E+05 2.32E+06 3E+05 1.49E+06 9.07E+05 2.3E+05 3.18E+06 9.17E+05 1.55E+06 2.82E+06 4.12E+06 1.5E+06 1.04E+06 7.95E+05 1.71E+06 6.11E+05 2.35E+05 6.22E+05 9.48E+05 8.8E+03 6.16E+06 8.53E+04 7.75E+05 6.53E+05 4.68E+06 1.53E+05 4E+05 1.48E+06 3.54E+05 2.26E+05 9.69E+05 8.7E+05 3.44E+06 5.2E+06 2.06E+06 1.81E+06 2.99E+05 1.56E+06 7.73E+05 1.02E+05 2.78E+06 6.71E+05 1.22E+06 1.98E+06 1.98E+06 1.04E+06 Glycodeoxycholate_1 3.21E+06 5.49E+06 4.34E+06 6.01E+05 1.44E+06 1.29E+06 3.48E+06 6.31E+05 2.32E+06 6.29E+05 1.4E+06 2.81E+06 6.52E+05 3.38E+06 3.88E+06 8.49E+06 1.37E+06 1.51E+06 1.8E+06 1.67E+06 1.63E+06 2.84E+06 1.61E+06 1.85E+06 1.57E+06 4.7E+06 2.57E+05 2.01E+06 4.45E+06 5.56E+06 3.52E+05 3.67E+06 2.2E+06 5.05E+05 3.54E+05 1.92E+06 4.3E+06 1.08E+07 1.13E+07 2.89E+06 3.61E+06 4.52E+05 1.49E+06 1.2E+06 2.28E+05 6.58E+06 5.01E+06 5.13E+06 2.6E+06 7.81E+06 2.47E+06 Glycodeoxycholate_2 1.59E+04 3.56E+05 5.95E+05 1.15E+05 7.31E+05 3.42E+05 2.67E+05 1.27E+05 2.19E+06 2.87E+04 1.8E+05 3.05E+05 6.62E+04 2.43E+05 4.67E+05 2.89E+06 3.36E+05 2.12E+05 1.26E+05 1.6E+05 3.23E+05 1.23E+05 1.36E+05 3.51E+04 2.88E+05 2.71E+05 1.77E+04 3.08E+05 1.25E+05 7.64E+05 4.58E+04 9.32E+04 2.77E+05 6.89E+04 1.2E+04 2.79E+05 3.17E+04 3.99E+05 4.02E+05 7.16E+05 1.92E+05 6.4E+04 2E+05 2.03E+05 2.42E+04 8.61E+04 1.35E+06 1.55E+05 1.43E+06 1E+05 5.74E+05 Glycyl-leucine_1 5.62E+05 1.2E+06 7.29E+05 1E+06 3.08E+05 6.61E+05 6.23E+05 3.93E+04 6.5E+05 4.6E+05 4.41E+05 9.51E+05 8.61E+04 5.9E+05 2.17E+05 4.75E+05 4.44E+05 1.19E+04 6.41E+05 6.61E+04 5.54E+05 4.62E+05 4.88E+04 4.52E+05 2.06E+04 5.09E+05 4.48E+05 8.79E+05 8.64E+05 2.96E+05 7.86E+05 6.29E+03 6.66E+04 4.59E+05 3.53E+05 3.69E+05 3.73E+04 6.25E+05 8.73E+04 3.27E+05 8.76E+04 3.12E+05 2.51E+05 3.54E+04 3.09E+05 3.63E+04 3.88E+05 2.8E+04 3.29E+05 3.52E+05 1.17E+06 Glycyl-leucine_2 4.98E+05 7.19E+05 8.54E+04 4.46E+05 2.66E+05 2.97E+05 7.18E+05 5.89E+05 1.47E+05 2.37E+05 3.16E+05 6.35E+05 1.7E+05 4.01E+05 2.97E+05 8.86E+04 4.21E+05 4.68E+05 3.17E+05 2.2E+05 1.95E+05 5.03E+05 4.15E+05 2.41E+05 1.85E+05 1.07E+05 2.49E+05 5.2E+05 9.52E+04 5.41E+05 5.62E+05 1.03E+05 7.79E+04 1.38E+04 4.31E+05 1.68E+04 3.29E+05 2.6E+05 2.2E+04 1.86E+04 4.63E+05 5.66E+05 1.11E+05 1.62E+05 2.01E+05 5.28E+04 1.48E+05 1.93E+05 1.44E+05 2.11E+05 1.08E+06 Glycyl-leucine_3 4.05E+04 1.15E+05 4.52E+05 2.37E+05 8.85E+04 4.91E+05 6.44E+04 1.88E+05 1.21E+05 5.99E+05 5.2E+05 3.26E+05 4.54E+05 5.26E+05 2.73E+04 1.12E+05 6.33E+03 3.19E+04 2.17E+05 1.33E+05 3.56E+05 9.19E+04 5.39E+04 1.48E+04 3.66E+04 1.22E+05 8.62E+04 3.7E+04 5.51E+04 4.18E+05 2.73E+05 2.27E+04 3.88E+04 1.13E+05 2.97E+05 4.97E+04 2.62E+04 3.83E+04 6.78E+04 9.85E+03 1.19E+05 2.55E+04 1.33E+04 2.86E+04 1.49E+05 2.12E+04 4.56E+05 4.32E+03 1.27E+05 5.54E+04 1.39E+05 Glycyl-leucine_4 4.02E+05 3.93E+04 9.66E+04 2.45E+04 4.66E+04 3.39E+05 2.36E+05 5.02E+03 9.37E+04 1.5E+04 5.66E+04 8.66E+04 1.02E+05 3.55E+05 4.36E+05 8.03E+04 1.96E+05 6.6E+05 6.44E+04 9.89E+04 1.36E+04 3.68E+05 9.89E+04 8.17E+04 4.38E+04 2.82E+04 2.07E+04 1.55E+04 9.6E+04 3.86E+05 7.53E+05 2.9E+04 1.28E+05 2.72E+04 9.34E+04 1.65E+04 4.42E+04 9.56E+04 3.72E+04 9.38E+04 4.95E+05 4.67E+04 2.8E+04 5.79E+04 2.15E+05 2.8E+04 4.75E+04 8.1E+04 2.25E+04 2.89E+04 6.99E+05 Glycyl-leucine_5 4.43E+05 7.81E+04 7.39E+04 4.85E+03 2.62E+04 6.95E+04 8.76E+04 3.56E+04 5.66E+04 5.85E+04 2.33E+05 1.01E+04 2.25E+04 3.65E+05 4.6E+05 6.45E+04 2.22E+05 5.64E+04 7.5E+04 2.86E+04 1.62E+05 2.69E+05 1.52E+05 7.2E+04 3.73E+04 3.14E+04 8.69E+04 1.82E+04 1.09E+04 3.71E+05 5.4E+05 1.01E+04 4.08E+04 7.01E+04 3.48E+05 2.94E+04 3.77E+04 1.13E+05 6.74E+04 5.83E+03 6.29E+05 1.33E+05 1.14E+05 1.3E+05 1.01E+05 2.84E+04 2.55E+05 4.7E+04 4.1E+04 1.74E+05 4.38E+05 Glycyrrhetinate 1.25E+03 1.26E+04 967 1.04E+03 0 1.48E+03 1.53E+05 0 0 981 1.18E+03 2.16E+03 0 1.31E+03 2.05E+03 0 1.06E+03 1.22E+03 1.86E+03 0 0 3.92E+03 941 1.13E+03 0 1.3E+06 0 947 0 0 1.67E+03 0 856 1.72E+03 0 0 1.67E+03 0 0 0 1.17E+03 0 0 0 0 2.14E+06 3.81E+05 832 964 1.4E+03 1.3E+03 Guanfacine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GUANIDINOACETATE 3.85E+06 4.47E+06 4.01E+06 3.96E+06 4.39E+06 5.65E+06 5.37E+06 3.36E+06 4.77E+06 3.17E+06 6.65E+06 6.19E+06 3.66E+06 3.51E+06 3.69E+06 4.02E+06 4.41E+06 3.54E+06 3.15E+06 4.26E+06 3.33E+06 5.3E+06 5.6E+06 3.08E+06 6.41E+06 4.7E+06 4.47E+06 3.56E+06 8.05E+06 4.17E+06 3.89E+06 2.94E+06 4.21E+06 4.38E+06 3.62E+06 3.53E+06 3.26E+06 3.5E+06 4.89E+06 3.92E+06 5.72E+06 3.88E+06 3.81E+06 4.9E+06 4.85E+06 3.5E+06 5.3E+06 5.93E+06 3.33E+06 3.52E+06 5.21E+06 GUANINE 7.75E+06 3.65E+05 8.59E+06 2.33E+05 5.54E+06 2.2E+05 1.3E+06 2.52E+06 2.62E+06 6.44E+06 1.05E+07 1.18E+06 2.62E+05 3.3E+06 4.67E+06 9.86E+06 8.12E+06 2.3E+06 8.17E+06 4.55E+06 6.45E+06 5.42E+06 5.59E+06 4.88E+05 4.62E+06 5.72E+06 2.99E+06 2.71E+05 7.52E+06 7.03E+05 1.67E+06 5.57E+05 9.49E+06 8.36E+06 6.05E+06 2.89E+06 5.44E+06 8.7E+06 7.6E+06 2.96E+06 7.91E+06 4.32E+06 1.39E+07 5.7E+05 1.93E+06 6.6E+06 1.28E+07 5.86E+06 5.3E+06 6.4E+06 1.51E+06 GW 1929 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.15E+03 0 0 0 0 1.21E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 1.7E+03 0 0 0 0 0 0 0 0 0 0 0 1.11E+03 0 0 1.14E+03 0 0 Gymnodimine 2.3E+06 5.55E+05 9.23E+05 5.53E+05 4.07E+05 5.92E+05 3.77E+05 8.4E+03 6.2E+05 3.06E+05 1.68E+06 8.63E+05 4.33E+04 4.92E+05 2.02E+05 1.64E+06 8.85E+05 3.98E+05 2.03E+05 5.88E+05 6.1E+05 2.8E+06 3.02E+05 2.25E+05 1.5E+06 3.89E+05 2.8E+05 4.89E+05 5.53E+05 7.33E+05 5.17E+05 3.02E+05 2.63E+05 1.06E+06 4.34E+05 7.17E+05 6.27E+05 1.11E+06 2.43E+06 2.4E+05 1.85E+06 3.31E+05 4.86E+05 1.99E+05 7.56E+05 1.12E+06 8.62E+06 6.98E+05 8.27E+05 1.36E+06 6.4E+05 Hercynine 9.34E+05 1.33E+05 7.18E+05 1.24E+05 4.47E+05 1.67E+05 1.76E+05 8.09E+05 3.11E+05 4.09E+05 7.88E+05 1.67E+05 1.45E+05 2.13E+05 3.05E+05 5.29E+05 3.54E+05 2.78E+05 2.33E+05 1.12E+06 4.48E+05 3.52E+05 2.49E+05 1.63E+05 3.34E+05 2.71E+05 3.34E+05 1.45E+05 2.74E+05 1.63E+05 1.45E+05 1.53E+05 3.68E+05 7.02E+05 3.28E+05 8.72E+05 4.17E+05 4.23E+05 4.86E+05 2.49E+05 2.71E+05 2.44E+05 3.07E+05 1.64E+05 1.91E+05 7.47E+05 7.24E+05 2.26E+05 2.08E+05 4.15E+05 1.64E+05 Hetacillin 0 4.04E+06 0 0 0 1.62E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.56E+03 0 0 0 0 0 0 Hexylamine 9.77E+06 1.08E+07 1.06E+07 1.02E+07 1.1E+07 1.06E+07 9.85E+06 1.16E+07 1.13E+07 1.14E+07 1.01E+07 1.13E+07 1.12E+07 1.1E+07 1.09E+07 1.13E+07 1.16E+07 1.12E+07 1.12E+07 1.12E+07 1.16E+07 1.19E+07 1.13E+07 1.17E+07 1.13E+07 1.12E+07 1.1E+07 1.15E+07 1.14E+07 1.07E+07 1.11E+07 1.13E+07 9.76E+06 9.84E+06 1.09E+07 1.12E+07 1.14E+07 1.17E+07 1.11E+07 1.12E+07 9.89E+06 1.05E+07 1.14E+07 1.09E+07 1.11E+07 1.02E+07 1.06E+07 1.08E+07 1.01E+07 1.13E+07 9.81E+06 Hippurate 2.42E+07 1.19E+07 4.2E+07 6.57E+06 1.59E+07 3.41E+07 1.39E+08 5.82E+06 6.68E+06 5.98E+07 1.53E+08 4.62E+07 3.35E+07 2.88E+07 4.99E+07 7.22E+07 1.18E+07 2.41E+07 5.96E+07 2.42E+07 6.02E+06 1.23E+08 1.26E+08 7E+07 3.79E+07 7.96E+06 5.61E+06 1.05E+07 1.3E+07 1.63E+08 2.93E+07 3.59E+07 2.48E+07 2.04E+07 2.22E+07 1.75E+08 2.09E+08 7.39E+06 1.63E+07 1.84E+07 3.62E+07 2.44E+08 1.26E+07 1.78E+07 8.92E+06 2.28E+07 1.89E+07 2.05E+08 6.79E+06 1.33E+08 2.49E+08 Histamine 1E+07 7.75E+06 5.67E+06 9.42E+06 5.15E+06 6.06E+06 9.85E+06 5.56E+06 8.57E+06 4.44E+06 6.32E+06 1.04E+07 3.71E+06 4.18E+06 2.93E+06 6.9E+06 8.08E+06 3.68E+06 1.13E+07 5.89E+06 8.42E+06 1.18E+07 4.83E+06 1.02E+07 4.05E+06 5.13E+06 6.28E+06 1E+07 6.09E+06 5.1E+06 5.63E+06 2.44E+06 3.64E+06 7.03E+06 4.94E+06 5.94E+06 8.14E+06 9.87E+06 3.45E+06 2.95E+06 5.19E+06 8.89E+06 6.36E+06 4.24E+06 1.08E+07 4.47E+06 6.05E+06 3.67E+06 8.29E+06 4.78E+06 1.07E+07 HISTAMINE 4.16E+05 2.77E+05 3.57E+05 1.73E+05 3.89E+05 5.23E+05 1.51E+05 3.14E+05 3.81E+05 3.39E+05 4.44E+05 4.69E+05 2.1E+05 3.67E+05 2.43E+05 4.19E+05 5.64E+05 5.37E+05 2.21E+05 3.13E+05 2.69E+05 2.48E+05 5.01E+05 2.3E+05 5.11E+05 3.47E+05 3.15E+05 2.32E+05 3.22E+05 3.67E+05 2.58E+05 5.59E+05 4.4E+05 2.26E+05 2.38E+05 2.53E+05 2.13E+05 2.47E+05 3.36E+05 2.48E+05 4.31E+05 2.48E+05 2.29E+05 3.18E+05 2.28E+05 2.6E+05 6E+05 5.65E+05 2.4E+05 2.04E+05 2.37E+05 Homogentisate 3.59E+05 2.13E+06 2.72E+05 1.99E+05 5.95E+05 2.78E+04 9.65E+04 4.5E+03 1.35E+05 1.04E+05 0 5.68E+04 2.71E+03 2.52E+06 5.83E+03 1.9E+05 4.29E+05 4.3E+05 2.94E+05 3.19E+05 1.91E+05 2.51E+04 4.53E+03 2.14E+05 2.48E+03 2.07E+04 5.15E+06 4.74E+04 3.28E+03 2.8E+05 3.78E+06 2.51E+05 1.37E+06 3.34E+05 4.95E+07 1.23E+04 1.92E+05 1.82E+05 4.34E+05 9.43E+03 2.28E+03 4.45E+05 1.1E+04 1.94E+05 2.97E+04 1.61E+05 1.48E+03 1.43E+04 1.83E+05 1.64E+06 5.71E+04 Homostachydrine_1 2.47E+06 3.9E+06 2.57E+06 2.86E+06 1.69E+06 5.81E+06 4.67E+06 2.97E+06 6.23E+06 6.19E+06 4.38E+06 3.66E+06 4.38E+06 4.06E+06 3.56E+06 5.65E+06 3E+06 2.54E+06 1.39E+06 6.72E+06 1.15E+06 1.19E+06 5.96E+06 1.05E+06 1.85E+06 4.55E+06 2.01E+06 2.25E+06 2.05E+06 1.61E+06 1.33E+06 1.21E+06 1.81E+06 1.95E+06 7.3E+06 2.99E+06 1.4E+06 1.2E+06 3.54E+06 1.69E+06 4.55E+06 2.09E+06 5.67E+06 2.37E+06 1.24E+06 1.05E+06 4.18E+06 1.31E+07 4.06E+06 3.16E+06 1.33E+06 Homostachydrine_2 1.52E+06 9.95E+05 4.07E+06 1.68E+06 7.71E+05 9.35E+05 7.92E+05 5.48E+05 1.05E+06 2.27E+06 9.23E+05 1.22E+06 1.62E+06 1.63E+06 1.06E+06 1.15E+06 1.63E+06 3.29E+06 1.41E+06 8.92E+05 2E+06 2.12E+06 1.48E+06 1.71E+06 1.07E+06 5.37E+05 7.02E+05 1.68E+06 1.56E+06 1.11E+06 9.65E+05 1.51E+06 4.15E+06 1.4E+06 1.03E+06 1.51E+06 1.27E+06 1.14E+06 1.19E+06 2.69E+06 1.01E+06 1.16E+06 5.91E+05 1.1E+06 1.71E+06 9.99E+05 9.41E+05 1.46E+06 1.1E+06 1.14E+06 4.6E+06 Homostachydrine_3 3.43E+05 5.09E+05 3.25E+05 6.14E+05 7.16E+04 3.75E+05 5.3E+05 2.04E+05 1.92E+05 2.39E+05 1.77E+04 3.29E+05 1.1E+05 1.58E+05 3.72E+05 2.82E+04 1.42E+05 4.77E+05 2.2E+05 1.92E+05 4.19E+05 5.7E+04 1.95E+05 4.46E+04 1.46E+05 3.71E+05 2.5E+05 5.05E+04 4.17E+05 2.55E+03 2.43E+05 1.09E+05 2.24E+05 1.13E+05 3.35E+05 4.59E+04 2.42E+05 1.39E+04 4.87E+05 4.56E+05 8.4E+04 2.38E+05 8.13E+04 2.96E+05 1.57E+05 2.53E+04 5.12E+04 2.45E+05 1.13E+05 1.56E+05 7.28E+05 Homostachydrine_4 2.52E+05 5.89E+05 1.25E+05 3.61E+05 3.75E+04 3.63E+05 3.84E+04 8.23E+03 2.15E+05 3.69E+04 3.54E+04 3.27E+05 2.79E+04 2.85E+04 2.77E+04 3.63E+04 1.46E+05 2.85E+04 2.4E+05 1.53E+05 2.83E+05 1.88E+05 3.59E+04 1.32E+05 1.91E+04 5.76E+05 1.61E+05 7.21E+03 7.3E+05 1.87E+04 7.87E+04 2.09E+05 1.72E+04 1.25E+05 2.2E+05 4.97E+04 1.79E+05 7.93E+04 6.97E+05 8.03E+05 1.94E+04 2.05E+05 4.17E+04 5.58E+03 2.31E+05 3.55E+04 4.92E+04 2.04E+04 1.52E+05 7.41E+04 8.24E+05 Homostachydrine_5 7.28E+04 2.1E+04 1.18E+05 1.48E+05 6.95E+04 4.41E+05 1.24E+06 5.74E+04 1.52E+04 5.98E+05 1.08E+06 2.97E+04 1.36E+05 1.96E+05 6.3E+05 7.43E+05 7.02E+04 1.69E+04 7.06E+05 5.52E+05 5.33E+04 1.2E+06 1.91E+06 1.78E+04 3.58E+05 1.91E+04 3.56E+04 4.34E+04 1.36E+04 1.22E+06 1.12E+06 3.89E+04 2.56E+04 2.38E+05 1.04E+04 1.72E+05 1.24E+06 1.1E+05 2.46E+04 2.87E+05 3.09E+04 9.07E+05 7.04E+03 3.94E+04 1.03E+05 7.53E+03 2.15E+05 8E+05 1.6E+04 6.78E+05 1.57E+06 Hydrocortisone succinate 1.55E+06 0 1.09E+05 1.94E+04 1.11E+05 7.07E+04 4.16E+05 3.38E+03 2.09E+04 2.86E+05 9.07E+04 0 0 0 5.09E+04 6.88E+03 6.86E+03 1.58E+04 2.85E+05 1.29E+05 7.19E+05 9.26E+05 2.4E+04 1.89E+05 6.5E+03 1.96E+05 5.98E+04 0 9.46E+05 3.56E+05 1.78E+05 7.78E+05 0 5.21E+05 0 0 2E+05 1.62E+05 2.11E+06 4.29E+05 6.24E+04 2.56E+05 5.28E+05 4.28E+04 3.21E+05 5.1E+06 1.19E+06 1.48E+05 0 0 5.47E+05 Hypaphorine 8.41E+06 2.41E+06 2.96E+06 5.14E+06 3.94E+06 5.03E+07 1.46E+07 5.26E+06 2.5E+06 4.57E+06 1.2E+06 1.73E+07 4.11E+07 2.87E+06 5.61E+06 1.88E+06 5.52E+06 2.08E+06 8.19E+06 9.83E+05 4.25E+06 1.98E+07 4.42E+07 9.32E+06 9.95E+05 5.95E+06 5.11E+06 4.51E+06 8.53E+06 4.99E+06 5.71E+06 1.12E+07 2.04E+06 5.64E+06 7.22E+06 5.99E+06 8.94E+06 4.13E+06 3.98E+06 4.41E+06 1.05E+07 7.95E+06 8.92E+06 4.8E+06 1.71E+07 1.19E+07 1.14E+06 1.52E+07 3.72E+06 2.44E+06 1.01E+07 HYPOXANTHINE 1.63E+08 4.85E+07 6.78E+07 3.71E+07 5.8E+07 4.57E+07 5.78E+07 4.22E+07 2.98E+07 4.2E+07 6.17E+07 8.79E+07 5.97E+07 4.42E+07 3.56E+07 6.23E+07 8.02E+07 5.1E+07 5.91E+07 6.44E+07 5.86E+07 6.92E+07 4.21E+07 1.06E+08 6.05E+07 5.17E+07 4.43E+07 5.04E+07 7.66E+07 5.16E+07 7.53E+07 1.02E+08 9.13E+07 1.01E+08 1.01E+08 4.31E+07 8.42E+07 3.99E+07 1.25E+08 4.54E+07 8.86E+07 6.21E+07 8.27E+07 3.16E+07 7.34E+07 6.1E+07 8.14E+07 6.77E+07 4.46E+07 4.73E+07 4.55E+07 Hypoxanthine 4.27E+07 1.22E+07 4.93E+07 1.53E+07 2.42E+07 1.18E+07 1.94E+07 1.66E+07 1.41E+07 2.73E+07 4.89E+07 1.49E+07 1.13E+07 1.46E+07 1.26E+07 3.95E+07 4.49E+07 2.03E+07 1.81E+07 2.59E+07 2.71E+07 2.59E+07 1.68E+07 2.24E+07 2.88E+07 2.03E+07 2.41E+07 1.11E+07 3.98E+07 1.37E+07 8.13E+06 2.21E+07 4.65E+07 3.89E+07 2.31E+07 1.87E+07 3.24E+07 2.65E+07 2.66E+07 1.52E+07 2.78E+07 1.77E+07 2.61E+07 1.11E+07 2.55E+07 4.43E+07 5.14E+07 2.22E+07 1.67E+07 2.22E+07 1.46E+07 Imidacloprid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 IMP 0 0 0 0 0 0 0 0 0 0 0 0 0 2.33E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Indan-1-ol 3.26E+05 1.74E+05 1.67E+05 2.19E+05 1.85E+05 1.5E+05 2.65E+05 1.61E+05 1.8E+05 1.95E+05 1.88E+05 1.29E+05 2.12E+05 2.2E+05 1.55E+05 1.65E+05 1.14E+05 2.51E+05 2.11E+05 1.75E+05 1.86E+05 2.27E+05 8.16E+04 2.59E+05 2.14E+05 1.27E+05 1.35E+05 1.13E+05 2.01E+05 1.1E+05 1.74E+05 2E+05 1.89E+05 2.33E+05 1.15E+05 1.03E+05 2.1E+05 2.77E+05 1.6E+05 7.64E+04 2.07E+05 1.86E+05 1.94E+05 2.04E+05 2.37E+05 1.95E+05 2.58E+05 1.85E+05 1.76E+05 1.2E+05 2.79E+05 Indole_1 1.57E+06 1.78E+06 1.85E+06 1.59E+06 1.1E+06 1.4E+06 1.6E+06 7.59E+05 1.37E+06 1.3E+06 1.36E+06 2.17E+06 9.95E+05 1.44E+06 1.39E+06 1.07E+06 1.2E+06 1.38E+06 1.29E+06 1.63E+06 1.32E+06 1.37E+06 1.82E+06 1.47E+06 1.04E+06 1.47E+06 1.09E+06 1.27E+06 1.47E+06 9.98E+05 1.23E+06 1.15E+06 1.33E+06 1.53E+06 1.34E+06 1.21E+06 1.36E+06 1.06E+06 1.25E+06 1.82E+06 1.34E+06 1.46E+06 1.54E+06 1.31E+06 1.14E+06 1.3E+06 1.51E+06 1.06E+06 1.42E+06 1.45E+06 1.62E+06 Indole_2 5.57E+05 1.26E+06 7.91E+05 1.12E+06 4.98E+03 5.27E+05 1.03E+06 5.23E+05 1.68E+05 6.53E+05 6.28E+04 8.01E+05 4.97E+04 4.98E+05 8.01E+05 1.83E+05 9.78E+03 1.15E+06 1.4E+05 2.33E+04 7.73E+05 1.55E+06 5.34E+05 7.48E+05 3.06E+05 2.06E+04 2.76E+04 1.55E+05 2.65E+05 1.56E+04 5.48E+05 4.01E+05 7.26E+05 7.09E+05 3.39E+04 2.85E+04 2.4E+05 9.49E+03 1.42E+04 3.91E+04 3.42E+05 7.92E+03 4.93E+05 5.79E+05 7.74E+04 2.27E+05 3.71E+05 4.18E+05 9.57E+03 3.45E+05 1.05E+06 Indole_3 3.59E+05 1.59E+05 6.77E+05 6.25E+04 2.49E+05 6.22E+05 2.51E+06 5.62E+04 9.55E+04 1.24E+06 2.8E+06 8.72E+05 6.75E+05 5.8E+05 9.35E+05 1.39E+06 1.92E+05 4.06E+05 1.07E+06 3.89E+05 5.6E+04 2.36E+06 2.61E+06 1.42E+06 6.63E+05 8.44E+04 7.25E+04 1.72E+05 2.72E+05 3.16E+06 5.28E+05 6.45E+05 4.4E+05 2.99E+05 4.31E+05 3.35E+06 4.18E+06 1.06E+05 2.89E+05 3.4E+05 7.25E+05 5.37E+06 2.81E+05 3.3E+05 1.05E+05 4.73E+05 2.85E+05 4.3E+06 5.08E+04 2.82E+06 4.63E+06 Indole_4 2.55E+05 2.89E+05 1.91E+05 8.86E+04 2.19E+05 2.48E+05 1.54E+05 1.57E+05 2.22E+05 2.31E+05 2.07E+05 7.83E+04 1.99E+05 2.33E+05 2.29E+05 1.12E+05 7.49E+04 1.68E+05 1.94E+05 2.04E+05 2.38E+05 1.22E+05 2.62E+05 2.2E+05 6.4E+04 8.63E+04 2.54E+05 1.49E+05 7.73E+04 9.33E+04 1.3E+05 1.41E+05 1.26E+05 3E+05 6.1E+04 2.52E+05 1.57E+05 2.09E+04 1.4E+05 2.23E+04 2.32E+05 2.59E+05 1.5E+05 9.91E+04 2.25E+05 8.38E+04 2.3E+05 1.85E+05 1.53E+05 9.57E+04 4.09E+05 Indole-3-acetaldehyde_1 1.48E+06 1.45E+06 1.66E+06 1.5E+06 1.09E+06 1.3E+06 1.5E+06 7.81E+05 1.29E+06 1.25E+06 1.21E+06 2.13E+06 8.69E+05 1.3E+06 1.3E+06 1.06E+06 1.12E+06 1.5E+06 1.28E+06 1.42E+06 1.24E+06 1.37E+06 1.86E+06 1.36E+06 1.08E+06 1.64E+06 1.07E+06 1.16E+06 1.4E+06 9.82E+05 1.2E+06 1.14E+06 1.42E+06 1.34E+06 1.32E+06 1.16E+06 1.27E+06 1.11E+06 1.38E+06 1.76E+06 1.48E+06 1.27E+06 1.54E+06 1.33E+06 1.14E+06 1.3E+06 1.44E+06 1.07E+06 1.34E+06 1.29E+06 1.48E+06 Indole-3-acetaldehyde_2 2.52E+06 1.95E+06 3.61E+05 6.86E+06 8.9E+04 2.68E+05 1.51E+06 1.78E+05 9.99E+04 8.31E+05 4.17E+05 2.21E+06 1.79E+05 3.03E+05 9.27E+05 8.48E+05 6.15E+05 9.83E+04 4.91E+06 1.94E+06 1.8E+06 6.1E+06 2.34E+05 7.37E+06 2.93E+04 1.28E+05 9.56E+04 6.64E+06 4.72E+05 1.72E+05 1.69E+06 4.15E+04 2.56E+05 2.09E+06 8.03E+05 1.02E+06 6.27E+06 8.87E+05 2.21E+05 1.98E+05 4.11E+05 3.33E+06 1.5E+06 9.37E+04 3.85E+06 6.17E+04 2.28E+05 9.39E+04 1.06E+06 2.08E+06 5.6E+06 Indole-3-acetaldehyde_3 1.2E+05 2.47E+05 6.72E+05 2.74E+05 2.29E+05 2.17E+05 3.32E+05 6.72E+05 2.1E+05 3.57E+05 6.6E+05 2.11E+05 4.94E+05 3.71E+05 8.16E+05 3.78E+05 2.98E+05 1.03E+06 2.42E+05 2.36E+05 1.34E+05 1.44E+05 7.46E+05 1.23E+05 3.68E+05 2.09E+05 2.29E+05 1.79E+05 2.19E+05 5.69E+05 2.82E+05 5.09E+05 1.23E+06 1.92E+05 2.59E+05 3.01E+05 1.04E+05 1.18E+05 3.44E+05 1.7E+05 6.85E+05 1.59E+05 1.44E+05 6.7E+05 1.27E+05 5.07E+05 4.05E+05 6.28E+05 1.59E+05 2.9E+05 5.96E+04 Indole-3-acetate_1 1.25E+07 1.43E+07 1.52E+07 9.26E+06 8.25E+06 1.26E+07 1.22E+07 7.37E+06 1.34E+07 1.93E+07 6.22E+06 1.6E+07 9.01E+06 9.49E+06 1.07E+07 1.04E+07 9.33E+06 1.5E+07 7.55E+06 9.3E+06 9.34E+06 1.83E+07 1.38E+07 1.35E+07 7.04E+06 1.55E+07 8.5E+06 1.16E+07 1.36E+07 9.25E+06 9.11E+06 7.64E+06 1.06E+07 1.1E+07 1.02E+07 8.92E+06 1.77E+07 8.82E+06 1.24E+07 9.88E+06 1.25E+07 8.57E+06 1.24E+07 1.45E+07 1.1E+07 1.28E+07 1.27E+07 1.56E+07 1.32E+07 1.23E+07 1.7E+07 Indole-3-acetate_2 2.43E+05 5.07E+05 8.91E+05 4.7E+05 4.53E+05 3.4E+05 7.11E+05 1.3E+06 4.93E+05 6.85E+05 1.32E+06 2.66E+05 1.06E+06 7.14E+05 1.36E+06 7.61E+05 4.78E+05 1.07E+06 4.06E+05 4.62E+05 2.39E+05 1.48E+05 1.06E+06 1.87E+05 6.38E+05 2.96E+05 4.95E+05 3.87E+05 2.99E+05 1.04E+06 5.72E+05 8.31E+05 1.12E+06 3.11E+05 3.02E+05 5.35E+05 1.2E+05 5.41E+04 4.52E+05 2.13E+05 7.97E+05 1.78E+05 2.95E+05 9.88E+05 1.41E+05 3.97E+05 7.23E+05 9.31E+05 8.11E+04 4.7E+05 1.43E+05 Indole-5,6-quinone 4.09E+06 5.06E+05 1.31E+05 2.96E+06 3.94E+05 3.87E+04 2.82E+06 4.6E+06 4.87E+05 3.89E+05 3.69E+05 3.09E+04 6.95E+05 3.9E+06 1.35E+06 2.31E+05 3.51E+05 3.13E+05 7.88E+05 1.86E+05 3.76E+05 1.11E+06 2.53E+05 4.47E+05 2.19E+05 2.79E+05 1.24E+06 2.44E+05 3.2E+05 1.19E+06 6.76E+05 4.13E+05 3.95E+05 6.31E+05 2.77E+06 3.15E+05 1.2E+06 3E+05 6.72E+05 2.21E+05 3.55E+06 9.61E+05 2.52E+05 2.74E+05 9.99E+05 2.13E+05 1.72E+06 1.79E+05 1.37E+05 3.83E+05 3.88E+06 Indolelactate_1 6.19E+06 2.45E+06 3.16E+06 3.66E+06 2.64E+06 7.81E+06 3.54E+06 1.34E+06 2.25E+06 2.94E+06 3.07E+06 3.3E+06 5.74E+06 3.5E+06 3.19E+06 2.03E+06 2.98E+06 2.83E+06 2.63E+06 2.37E+06 3.55E+06 5.16E+06 8.98E+06 4.53E+06 4.13E+06 3.24E+06 2.44E+06 2.27E+06 4.17E+06 5.09E+06 4.14E+06 2.94E+06 2.54E+06 3.21E+06 3.26E+06 2.56E+06 4.47E+06 3.43E+06 4.12E+06 5.71E+06 3.59E+06 2.91E+06 3.19E+06 2.37E+06 3.72E+06 3.22E+06 5.46E+06 2.55E+06 2.41E+06 2.36E+06 7.44E+06 Indolelactate_2 9.64E+05 1.94E+06 6.34E+06 1.95E+06 2E+06 1.69E+06 3.06E+06 6.07E+06 1.77E+06 3.01E+06 6.01E+06 1.01E+06 3.71E+06 3.49E+06 6.41E+06 3.35E+06 2.05E+06 7.71E+06 1.63E+06 1.95E+06 9.94E+05 1.04E+06 5.79E+06 1.12E+06 3.61E+06 1.24E+06 1.95E+06 1.73E+06 1.92E+06 4.92E+06 2.31E+06 4.9E+06 1.06E+07 1.28E+06 1.94E+06 3.07E+06 9.58E+05 8.16E+05 2.35E+06 1.44E+06 5.91E+06 8.77E+05 1.02E+06 5.03E+06 7.82E+05 3.73E+06 3.33E+06 5.44E+06 7.44E+05 2.08E+06 7.37E+05 Indospicine_1 6.81E+06 3.56E+06 1.66E+06 2.3E+06 1.76E+06 2.08E+06 1.47E+06 7.71E+05 3.74E+05 1.4E+06 3.51E+06 2.56E+05 6.5E+05 3E+06 1.23E+06 3.45E+05 2.23E+06 1.21E+06 5.33E+06 1.37E+06 4.43E+06 1.87E+06 3.12E+06 1.51E+06 3.57E+06 1.26E+06 2.84E+06 1.81E+06 2.32E+06 1.52E+06 2.6E+06 4.05E+06 1.05E+06 3.17E+06 2.93E+06 1.82E+06 1.76E+06 1.49E+06 3.52E+06 6.38E+06 2.15E+05 1.85E+06 1.15E+06 1.29E+06 1.68E+06 1.98E+06 3.65E+06 2.61E+05 3.91E+05 2.91E+06 7.58E+06 Indospicine_2 1.01E+05 2.06E+05 7.46E+05 7.76E+04 1.02E+05 3.48E+05 4.91E+05 1.33E+04 4.63E+05 1.45E+05 2.85E+04 3.09E+05 4.69E+04 2.12E+05 2.94E+03 1.47E+05 3.44E+05 0 6.18E+05 6.33E+04 3.65E+04 2.24E+05 1.74E+03 5.32E+04 0 3.05E+05 2.11E+05 4.32E+05 2.45E+05 4.51E+04 4.35E+05 0 1.43E+03 5.58E+04 1.46E+05 6.06E+05 1.76E+05 1.27E+05 1.63E+05 3.52E+05 5.38E+04 1.65E+05 1.51E+04 6.95E+03 1.02E+05 2.59E+04 9.33E+04 0 3.94E+04 1.7E+05 2.68E+05 Inosine 1.59E+07 4.28E+06 1.76E+07 5.41E+06 8.52E+06 4.04E+06 6.88E+06 6.05E+06 4.85E+06 9.7E+06 1.75E+07 5.55E+06 4.06E+06 5.25E+06 4.47E+06 1.44E+07 1.66E+07 7.35E+06 6.52E+06 9.62E+06 9.85E+06 8.68E+06 5.9E+06 8.2E+06 9.87E+06 7.05E+06 8.31E+06 3.51E+06 1.33E+07 4.51E+06 2.69E+06 7.32E+06 1.54E+07 1.3E+07 8.06E+06 6.29E+06 1.16E+07 9.05E+06 8.88E+06 5.24E+06 9.57E+06 6.03E+06 9.23E+06 3.78E+06 8.86E+06 1.55E+07 1.91E+07 8.05E+06 5.75E+06 7.83E+06 5.32E+06 Isobutyronitrile_1 9.37E+06 1.2E+07 1.19E+07 7.86E+06 8.24E+06 1.03E+07 1.2E+07 5.56E+06 8.15E+06 5.1E+06 9.89E+06 1.07E+07 6.86E+06 1.04E+07 9.67E+06 9.07E+06 1.01E+07 1.42E+07 6.42E+06 1.09E+07 6.11E+06 5.78E+06 1.29E+07 5.58E+06 1.06E+07 1.14E+07 8.76E+06 9.21E+06 1.04E+07 8.34E+06 7.17E+06 8.82E+06 1.36E+07 8.85E+06 9.26E+06 9.06E+06 5.21E+06 5.63E+06 1.83E+07 1.13E+07 9.28E+06 9.04E+06 9.11E+06 1.37E+07 5E+06 7.09E+06 7.75E+06 9.61E+06 9.4E+06 1.08E+07 1.38E+07 Isobutyronitrile_2 2.45E+06 2.02E+06 1.59E+06 2.19E+06 1.39E+06 1.69E+06 2.55E+06 1.29E+06 2.28E+06 1.18E+06 1.63E+06 2.7E+06 9.7E+05 1.07E+06 8.45E+05 1.79E+06 2.06E+06 9.69E+05 3.72E+06 1.56E+06 2.17E+06 3.3E+06 1.29E+06 2.61E+06 1.11E+06 1.32E+06 1.76E+06 2.79E+06 1.71E+06 1.52E+06 1.54E+06 7.14E+05 9.33E+05 1.91E+06 1.51E+06 1.61E+06 2.27E+06 2.6E+06 9.97E+05 8.28E+05 1.45E+06 2.75E+06 1.96E+06 1.31E+06 3.26E+06 1.31E+06 1.38E+06 1.07E+06 2.68E+06 1.42E+06 2.47E+06 Isobutyronitrile_3 4.93E+05 1.22E+05 3.47E+04 2.56E+05 5.6E+04 4.06E+05 3.19E+05 8.78E+04 1.4E+05 9.27E+03 9.41E+04 1.22E+05 3.57E+05 7.37E+03 3.26E+04 2.06E+05 1.39E+05 9.93E+04 2.9E+05 1.18E+05 1.77E+05 4.56E+05 7.3E+04 2.01E+05 6.25E+04 1.56E+05 1.38E+05 6.48E+05 5.61E+04 1.08E+05 1.17E+05 1.83E+04 1.06E+05 5.13E+05 1.29E+05 3.12E+05 1.88E+05 2.7E+05 1.87E+05 6.03E+04 5.09E+04 3.47E+05 4.17E+05 7.22E+04 9.43E+05 2.21E+04 8.27E+04 1.12E+05 2.47E+05 1.91E+05 2.15E+04 Isoquinoline_1 2.27E+06 2.41E+06 2.54E+06 2.38E+06 1.91E+06 1.9E+06 2.57E+06 1.5E+06 2.25E+06 1.9E+06 2.27E+06 2.93E+06 1.4E+06 2.28E+06 1.91E+06 1.7E+06 2.09E+06 2.25E+06 1.91E+06 2.49E+06 1.96E+06 1.9E+06 2.87E+06 2.15E+06 2.1E+06 2.58E+06 1.93E+06 1.98E+06 2.11E+06 1.56E+06 1.74E+06 2.08E+06 1.93E+06 2.22E+06 1.99E+06 1.89E+06 1.93E+06 1.58E+06 1.89E+06 2.48E+06 2.03E+06 1.98E+06 2.15E+06 2.11E+06 1.73E+06 2.13E+06 2.19E+06 1.97E+06 1.99E+06 1.94E+06 2.4E+06 Isoquinoline_2 2.73E+06 2.93E+06 8.06E+06 5.4E+05 5.79E+04 1.69E+06 1.4E+05 1.32E+06 8.57E+05 2.89E+05 2.25E+06 1.24E+06 2.05E+06 4.25E+05 6.87E+05 7.72E+05 2.48E+04 2.31E+06 1.34E+06 1.76E+06 4.75E+05 7.41E+06 1.13E+06 3.42E+06 3.41E+06 1.65E+05 1.5E+05 3.2E+06 3.85E+06 1.4E+05 5.89E+04 2.35E+06 4.09E+06 2.22E+06 6.73E+03 3.76E+06 5.36E+06 1.27E+06 2.25E+06 5.57E+05 5.55E+06 1.62E+06 2.48E+05 2.05E+06 2.64E+06 1.97E+06 1.24E+07 3.07E+06 2.56E+06 5.6E+05 6.45E+05 Isoquinoline_3 1.54E+06 1.67E+06 1.7E+06 1.05E+06 9.71E+05 1.48E+06 1.44E+06 8.71E+05 1.53E+06 2.2E+06 7.9E+05 1.8E+06 9.79E+05 1.15E+06 1.19E+06 1.25E+06 1.1E+06 1.77E+06 8.75E+05 1.11E+06 1.07E+06 2.22E+06 1.61E+06 1.61E+06 8.47E+05 1.81E+06 1E+06 1.4E+06 1.67E+06 1.17E+06 1.09E+06 9.79E+05 1.4E+06 1.45E+06 1.24E+06 1.16E+06 2.32E+06 1.14E+06 1.54E+06 1.19E+06 1.58E+06 1.07E+06 1.53E+06 1.8E+06 1.37E+06 1.58E+06 1.55E+06 1.81E+06 1.6E+06 1.6E+06 2.11E+06 Isoquinoline_4 9.51E+05 9.12E+05 7.1E+05 8.13E+05 1.03E+06 9.68E+05 7.51E+05 8.64E+05 1.27E+06 7.89E+05 7.67E+05 2.51E+05 8.49E+05 8.56E+05 6.39E+05 7.87E+05 1.08E+06 8.81E+05 8.22E+05 8.23E+05 8.5E+05 1.46E+06 6.86E+05 6.23E+05 8.86E+05 9.19E+05 1.04E+06 2.05E+06 1.71E+06 1.03E+06 8.56E+05 1E+06 7.96E+05 8.1E+05 8.7E+05 9.75E+05 8.1E+05 8.52E+05 7.29E+05 8.97E+05 7.09E+05 8.1E+05 8.27E+05 1.4E+06 1.73E+06 7.41E+05 7.49E+05 8.22E+05 1.73E+06 7.67E+05 8.64E+05 Isoquinoline_5 3.71E+05 3.66E+05 9.08E+05 4.87E+05 5.27E+05 4.31E+05 3.56E+05 3.13E+05 4.35E+05 4.33E+05 6.39E+05 5.04E+05 5.95E+05 3.18E+05 2.52E+05 5.44E+05 3.94E+05 3.11E+05 5.02E+05 4.94E+05 4.07E+05 1.82E+05 4.58E+05 5.26E+05 1.78E+05 4.99E+05 4.21E+05 4.84E+05 2.54E+05 4.65E+05 2.64E+05 1.65E+05 3.59E+05 3.88E+05 2.78E+05 7.96E+05 4.28E+05 3.84E+05 2.05E+05 6.29E+05 4.29E+05 2.8E+05 4.52E+05 1.99E+05 2.81E+05 5.84E+05 5.65E+05 4.15E+05 8.3E+05 4.62E+05 4.23E+05 Isoquinoline_6 3.73E+05 2.69E+05 4.48E+05 3.94E+05 3.41E+05 4.33E+05 3E+05 4.54E+05 2.67E+05 2.78E+05 4.48E+05 3.43E+05 3.86E+05 6.07E+05 3.03E+05 3.28E+05 2.76E+05 3.9E+05 3.25E+05 3.06E+05 3.08E+05 5.54E+05 7.47E+05 3.31E+05 3.41E+05 1.94E+05 2.74E+05 3.09E+05 2.72E+05 7.34E+05 5.47E+05 2.73E+05 3.77E+05 1.77E+05 2.76E+05 3.74E+05 2.84E+05 2.59E+05 2.81E+05 5.48E+05 4.11E+05 9.33E+04 2.86E+05 2.26E+05 3.58E+05 5.49E+05 5.07E+05 3.27E+05 2.66E+05 3.28E+05 6.77E+05 Isoquinoline_7 1.39E+05 1.71E+05 3.08E+05 1.05E+05 1.51E+05 9.66E+04 2.04E+05 9.45E+04 2.08E+05 1.99E+05 3.94E+05 2.7E+05 3.24E+05 3.02E+05 1.06E+05 3.02E+05 2.21E+05 2.93E+05 2.36E+05 3.17E+05 1.62E+05 2.09E+05 4.18E+05 1.76E+05 6.23E+05 3.31E+05 2.99E+05 2.62E+05 5.89E+04 1.2E+05 1.29E+05 1.84E+05 2.67E+05 1.32E+05 2.68E+05 3.46E+05 1.79E+05 1.48E+05 7.62E+04 4.23E+05 1.72E+05 8.79E+04 1.47E+05 1.15E+05 1.37E+05 3.35E+05 2.36E+05 4.29E+05 3.04E+05 2.76E+05 3.09E+05 Isovalerylcarnitine 5.65E+06 7.44E+06 6.95E+06 3.55E+06 4.48E+06 4.59E+06 2.97E+06 2.34E+06 5.85E+06 5.53E+06 1.73E+06 2.31E+06 1.96E+06 4.89E+06 6.25E+06 6.49E+06 5.71E+06 3.3E+06 4.44E+06 5.27E+06 2.75E+06 1.38E+06 8.35E+06 5.4E+06 1.37E+06 2.23E+06 1.99E+06 4.43E+06 1.9E+06 4.72E+06 5.94E+06 2.38E+06 2.15E+06 5.37E+06 5.53E+06 3.95E+06 4E+06 2.81E+06 3.05E+06 6.78E+06 4.17E+06 5.72E+06 1.54E+06 4.42E+06 1.07E+06 1.68E+06 2.3E+06 6.23E+06 6.45E+06 5.23E+06 9.22E+06 Istamycin C1 5.33E+06 2.42E+06 1.84E+06 2.43E+06 3.13E+06 2.4E+06 2.68E+06 8.43E+05 2.31E+06 1.16E+06 4.43E+06 1.06E+06 2.28E+06 2.44E+06 1.45E+06 1.08E+06 2.23E+06 1.88E+06 9.27E+05 1.11E+06 8.91E+05 1.14E+06 1.34E+06 2.12E+06 7.7E+05 1.96E+06 2.04E+06 8.86E+05 3.76E+06 1.03E+06 1.98E+06 1.53E+06 1.31E+06 1.96E+06 8.07E+05 1.19E+06 1.87E+06 2.03E+06 1.16E+06 1.63E+06 1.3E+06 1.62E+06 2.04E+06 3.79E+06 1.44E+06 1.93E+06 2.47E+06 2.02E+06 1.92E+06 1.76E+06 1.11E+06 Janthitrem C_1 5.14E+06 1.46E+06 7.5E+05 8.24E+05 8.11E+05 6.68E+05 7.58E+05 5.91E+04 9.06E+05 4.97E+05 1.15E+06 1.92E+06 1.75E+05 1.84E+06 2.99E+05 1.99E+06 2.36E+06 5.52E+05 4.24E+05 5.67E+05 6.48E+05 5.47E+06 1.12E+06 2.94E+05 8.25E+05 7.87E+05 7.24E+05 6.91E+05 5.83E+05 1.8E+06 2.44E+06 5.01E+05 4.02E+05 3.07E+06 9.46E+05 7.33E+05 6.13E+05 1.19E+06 5.03E+06 3.39E+05 5.79E+06 8.33E+05 8.65E+05 4.91E+05 8.18E+05 1.14E+06 6.65E+06 3.2E+06 1.73E+06 5.19E+06 1.2E+06 Janthitrem C_2 6.83E+05 5.97E+04 7.74E+04 5.09E+05 1.74E+04 5.74E+04 3.6E+05 1.24E+05 7.97E+03 7.24E+04 2.16E+05 3.71E+04 2.37E+04 6.83E+04 7.9E+04 4.17E+04 4.33E+04 9.09E+04 7.41E+04 3.16E+04 1.14E+05 2.77E+04 9.36E+04 2.93E+04 2.58E+05 9.32E+04 1.9E+05 1.1E+04 1.27E+05 2.89E+04 1.21E+05 1.9E+04 5.13E+04 2.9E+05 7.16E+04 6.75E+04 1.2E+05 4.09E+04 1.55E+04 1.58E+05 9.2E+04 1.68E+05 1.16E+05 9.98E+04 1.02E+05 9.1E+04 6.52E+04 6.83E+04 7.09E+04 2.07E+04 7.59E+05 L-2,3-Dihydrodipicolinate 9.94E+03 1.36E+05 2.07E+04 1.75E+04 1.99E+03 1.65E+06 1.08E+05 2.01E+03 0 1.54E+05 1.63E+05 9.58E+03 0 2.11E+06 2.07E+05 2.41E+05 2.25E+06 2.94E+03 1.08E+05 1.36E+06 2.96E+03 2.18E+05 1.5E+05 4.62E+04 2.1E+06 1.94E+06 5E+03 1.79E+03 1.53E+06 3.07E+05 1.64E+05 2.5E+06 6.32E+03 8.82E+03 1.25E+06 1.37E+05 2.38E+05 1.49E+06 1.93E+06 2.83E+06 1.53E+06 8.21E+04 5.24E+03 1.6E+05 1.72E+03 2.27E+06 7.26E+04 2.53E+05 1.9E+06 1.77E+06 3.73E+05 L-2,4-Diaminobutanoate 1.39E+06 2.98E+05 1.29E+05 7.72E+05 1.95E+05 6.98E+05 3.35E+06 5.58E+05 4.22E+05 1.09E+05 6.48E+05 6.26E+05 4.87E+05 4.34E+05 1.08E+05 4.06E+05 4.37E+05 5.3E+05 9.69E+05 3.49E+05 1.24E+06 1.88E+06 3.4E+05 1.68E+06 5.32E+05 3.44E+05 4.05E+05 6.94E+05 9.36E+04 1.69E+05 3.3E+05 3.08E+05 4.63E+05 4.92E+05 3.06E+05 3.08E+05 1.47E+06 1.7E+06 1.07E+05 2.21E+05 3.07E+05 1.56E+06 4.61E+05 4.32E+05 1.57E+06 4.04E+05 5.37E+05 6.25E+05 1.25E+06 3.08E+05 2.18E+06 L-2-Aminoadipate_1 3.01E+06 1.2E+06 3.05E+06 4E+06 2.21E+06 2.68E+06 2.03E+06 8.09E+06 1.88E+06 1.18E+06 1.24E+06 5.34E+06 3.63E+07 2.35E+06 8.35E+05 1.02E+06 4.06E+06 1.34E+06 3.65E+06 1.77E+06 1.94E+06 1.82E+06 1.44E+06 1.3E+06 1.27E+06 1.18E+06 4.56E+06 4.61E+06 2.53E+06 5.15E+06 3.7E+06 9.59E+06 2.05E+06 1.97E+06 4.5E+06 1.22E+06 1.65E+06 1.08E+06 1.23E+07 2.05E+06 3.24E+06 1.36E+06 1.34E+06 1.13E+06 1.32E+06 1.1E+06 1.54E+06 9.22E+05 1.15E+06 1.64E+06 4.08E+06 L-2-Aminoadipate_2 3.06E+06 1.2E+06 2.14E+06 1.41E+06 1.25E+06 1.88E+06 2.03E+06 7.33E+05 1.54E+06 1.18E+06 1.24E+06 1.22E+06 2.04E+06 4.34E+06 1.17E+06 1.2E+06 1.83E+06 1.55E+06 1.72E+06 1.04E+06 1.94E+06 1.82E+06 1.59E+06 1.34E+06 1.27E+06 1.57E+06 1.21E+06 1.07E+06 1.8E+06 3.18E+06 2.03E+06 1.94E+06 1.51E+06 1.12E+06 2.65E+06 1.08E+06 1.28E+06 1.16E+06 1.18E+06 2.05E+06 2.22E+06 1.36E+06 1.24E+06 1.13E+06 1.32E+06 1.1E+06 1.54E+06 9.22E+05 1.15E+06 9.49E+05 4.46E+06 L-Alanine 6.37E+06 9.53E+06 4.82E+06 7.78E+06 3.71E+06 4.46E+06 5.38E+06 3.19E+06 5.72E+06 5.62E+06 9.48E+06 2.87E+06 2.52E+06 1.06E+07 6.07E+06 3.84E+06 9.33E+06 4.51E+06 5.12E+06 3.8E+06 6.92E+06 2.46E+06 6.51E+06 2.79E+06 6.85E+06 6.52E+06 6.73E+06 4.46E+06 7.72E+06 4.97E+06 5.31E+06 4.28E+06 4.37E+06 4.57E+06 6.04E+06 2.19E+06 2.14E+06 5.34E+06 7.33E+06 4.5E+06 4.23E+06 2.56E+06 3.51E+06 5.01E+06 2.9E+06 4.61E+06 4.94E+06 3.48E+06 6.5E+06 3.35E+06 1.01E+07 L-Albizziine_1 1.34E+06 1.36E+06 1.38E+06 1.1E+06 1.13E+06 1.34E+06 1.51E+06 8.55E+05 1.19E+06 8.57E+05 1.56E+06 1.42E+06 1.2E+06 1.34E+06 1.09E+06 1.12E+06 1.37E+06 1.17E+06 1.06E+06 1.05E+06 9.97E+05 1.24E+06 1.1E+06 9.68E+05 1.49E+06 1.34E+06 1.19E+06 1.05E+06 1.42E+06 1.23E+06 1.28E+06 1.1E+06 1.34E+06 1.2E+06 1.11E+06 1.1E+06 1.09E+06 9.41E+05 1.26E+06 1.3E+06 1.13E+06 1.3E+06 9.56E+05 1.21E+06 1.13E+06 1.2E+06 1.94E+06 1.23E+06 1.1E+06 1.18E+06 1.74E+06 L-Albizziine_2 2.02E+05 3.27E+05 6.32E+05 4.62E+05 2.41E+05 3.97E+05 5.13E+05 9.26E+05 3.99E+05 7.08E+05 3.36E+05 1.16E+05 4.12E+05 2.35E+05 2.51E+05 6.31E+05 2.49E+05 1.95E+05 5.64E+05 3.08E+05 3.13E+05 3.98E+05 1.83E+05 4.11E+05 2.27E+05 2.54E+05 5.1E+05 5.33E+05 3.95E+05 1.25E+06 5.06E+05 1.61E+05 2.8E+05 4.19E+05 1.4E+05 2.28E+05 3.96E+05 5.49E+05 2.25E+05 2.47E+05 4.54E+05 3.93E+05 5.36E+05 3.02E+05 4E+05 1.51E+05 3E+05 9.21E+04 1.9E+05 6.02E+05 1.48E+05 L-ALLOTHREONINE 1.03E+07 5.59E+06 6.15E+06 4.64E+06 4.07E+06 5.45E+06 7.14E+06 3.9E+06 6.95E+06 5.39E+06 8.14E+06 5.95E+06 4.01E+06 5.86E+06 5.91E+06 7.18E+06 6.41E+06 5.13E+06 1.78E+07 5.25E+06 1.05E+07 7.21E+06 9.37E+06 6.97E+06 9.52E+06 5.23E+06 6.73E+06 4.25E+06 9.02E+06 5.26E+06 5.81E+06 1.07E+07 5.74E+06 5.7E+06 6.1E+06 3.78E+06 8.25E+06 4.62E+06 6.32E+06 1.04E+07 5.05E+06 4.58E+06 6E+06 7.73E+06 7.39E+06 6.24E+06 6.92E+06 4.35E+06 7.97E+06 4.82E+06 2.56E+07 L-ARGININE 8.18E+07 7.12E+07 6.52E+07 6.67E+07 6.98E+07 7.25E+07 8.22E+07 4E+07 9.01E+07 4.59E+07 8.58E+07 9.39E+07 4.87E+07 6.31E+07 5.37E+07 7.26E+07 8.27E+07 6.05E+07 6.03E+07 5.81E+07 4.26E+07 6.01E+07 7.52E+07 5.36E+07 6.66E+07 7.03E+07 6.18E+07 5.44E+07 7.81E+07 6.22E+07 5.57E+07 5.58E+07 5.7E+07 4.92E+07 5.63E+07 3.71E+07 4.57E+07 5.07E+07 6.08E+07 5.56E+07 5.95E+07 6.01E+07 4.39E+07 7.53E+07 5.48E+07 5.04E+07 8.27E+07 6.32E+07 6.82E+07 4.66E+07 8.37E+07 L-ASPARAGINE 4.42E+06 2.28E+06 2.84E+06 2.47E+06 1.72E+06 2.18E+06 4.48E+06 2.71E+06 2.69E+06 4.43E+06 5.31E+06 2.18E+06 3.11E+06 2.26E+06 1.87E+06 2.6E+06 3.71E+06 2.65E+06 2.88E+06 1.8E+06 5.93E+06 1.91E+06 2.29E+06 3.95E+06 5.3E+06 3.51E+06 4.4E+06 2.38E+06 4.12E+06 1.96E+06 2.25E+06 3.8E+06 2.45E+06 2.04E+06 3.19E+06 1.98E+06 2.53E+06 4.77E+06 2.28E+06 3.72E+06 2.4E+06 1.7E+06 2.39E+06 2.58E+06 3.55E+06 2.9E+06 4.48E+06 2.31E+06 4.31E+06 1.99E+06 5.48E+06 L-Asparagine 1.21E+04 3.81E+05 1.17E+04 4.57E+05 1.27E+04 6.48E+04 1.3E+04 4.66E+03 6.09E+04 1.72E+04 1.87E+03 2.29E+05 1.03E+04 5.19E+04 2.37E+03 3.68E+03 5.09E+04 8.58E+03 8.48E+03 2.62E+03 4.25E+04 1.37E+05 2.45E+03 8.72E+04 2E+03 1.18E+05 1.64E+04 5.74E+05 8.02E+04 1.14E+04 1.52E+05 1.45E+03 3.73E+03 1.19E+05 2.98E+05 2.63E+04 4.47E+03 4.1E+03 1.08E+05 2.34E+03 3.65E+03 1.4E+04 2.5E+04 999 9.04E+04 2.99E+03 2.21E+03 2E+03 3.81E+05 4.07E+04 6.16E+04 L-Aspartate 4.36E+05 4.12E+05 4.41E+05 1.21E+05 7.24E+05 3.44E+05 4.14E+05 8.58E+05 8.81E+05 3.45E+05 5.32E+05 2.44E+05 2.1E+05 3.21E+05 2.57E+05 5.65E+05 9.06E+05 6.09E+05 5.14E+05 6.58E+05 5.2E+05 5.57E+05 6.31E+05 5.64E+05 1.4E+06 4.5E+05 6.26E+05 3.9E+05 2.98E+05 2.49E+05 2.94E+05 5.89E+05 1.96E+05 3.44E+05 5.35E+05 4.5E+05 4.83E+05 3.39E+05 1.95E+05 3.94E+05 1.49E+05 3.09E+05 1.74E+05 3.45E+05 6.8E+05 1.01E+06 3.97E+05 3.33E+05 3.25E+05 4.16E+05 4.27E+05 L-Aspartate 4-semialdehyde_1 8.93E+06 1.91E+05 8.28E+06 8.37E+06 6.41E+06 8.41E+06 1.13E+07 4.72E+06 7E+06 6.53E+06 4.01E+06 1.86E+06 9.19E+06 2.28E+06 7E+06 6.27E+06 2.41E+05 7.34E+06 2.66E+06 7.03E+06 6.35E+06 6.88E+06 2.61E+06 6.46E+06 9.92E+06 1.09E+07 2.5E+05 4.16E+05 2.6E+06 2.39E+05 1.79E+06 7.78E+06 7.71E+06 7.21E+06 6.48E+06 2.2E+05 5.52E+06 6.85E+06 7.75E+06 7.13E+06 3.75E+05 8.11E+06 8.61E+06 6.49E+05 7.62E+06 5.91E+06 8.11E+06 1.2E+06 6.5E+06 5.49E+06 7.81E+06 L-Aspartate 4-semialdehyde_2 3.76E+06 4.16E+06 4.81E+06 3.66E+06 6.24E+06 2.38E+06 3.57E+06 7.81E+06 4.8E+06 4.59E+06 8.21E+06 2.51E+06 3.44E+06 5.45E+06 3.25E+06 4.07E+06 9.22E+06 3.73E+06 5.07E+06 4.79E+06 5.92E+06 4.43E+06 4.79E+06 3.23E+06 1.42E+07 3.02E+06 5.69E+06 3.19E+06 2.95E+06 3.52E+06 3.85E+06 4.86E+06 2.67E+06 2.76E+06 4.45E+06 3.16E+06 3.09E+06 4.7E+06 2.62E+06 3.06E+06 4.09E+06 2.92E+06 3.33E+06 2.94E+06 4.13E+06 1E+07 7.28E+06 2.55E+06 4.49E+06 4.96E+06 4.83E+06 L-Aspartate 4-semialdehyde_3 1.33E+06 2.94E+05 1.49E+05 5.16E+04 8.46E+04 3.34E+05 4.85E+05 1.09E+06 2.1E+05 1.39E+06 8.47E+05 2E+05 3.31E+05 6.47E+05 2.48E+05 4.34E+05 3.43E+05 1.38E+05 4.67E+05 1.6E+05 1.3E+06 1.29E+05 2.3E+05 8.12E+05 1.8E+05 1.32E+05 5.38E+04 8.96E+04 1.17E+06 7.33E+04 1.9E+05 7.19E+05 2.28E+06 2.02E+06 3.15E+05 1.08E+05 2.38E+05 8.65E+04 2.02E+05 5.14E+04 4.43E+04 3.95E+05 1.67E+06 2.41E+05 1.3E+06 6.48E+05 6.82E+04 6.79E+05 2.09E+05 1.03E+05 1.17E+05 L-CARNITINE 3.63E+08 5.67E+08 6.61E+08 4.87E+08 4.69E+08 4.16E+08 6.16E+08 4.31E+08 5.29E+08 5.42E+08 3.32E+08 7.2E+08 3.08E+08 5.32E+08 6.36E+08 5.11E+08 5.84E+08 5.76E+08 4.8E+08 5.54E+08 4.28E+08 3.51E+08 4.4E+08 3.28E+08 3.73E+08 6.09E+08 5.85E+08 4.51E+08 3.89E+08 4.58E+08 7.94E+08 4.55E+08 4.54E+08 5.01E+08 7.2E+08 4.73E+08 3.13E+08 3.28E+08 5.95E+08 5.13E+08 6.07E+08 5.71E+08 4.4E+08 4.41E+08 3.13E+08 3.75E+08 3.29E+08 6.41E+08 4.88E+08 5.65E+08 6.11E+08 L-Cysteate 8.14E+06 7.9E+06 5.32E+06 7.74E+06 8.12E+06 6.38E+06 5.95E+06 7.3E+06 4.86E+06 6.8E+06 6.8E+06 7.65E+06 5.84E+06 8.33E+06 7.63E+06 4.83E+06 7.76E+06 4.98E+06 6.4E+06 8.23E+06 6.14E+06 6.58E+06 5.48E+06 5.64E+06 7.5E+06 7.51E+06 7.62E+06 5.72E+06 7.52E+06 5.98E+06 6.52E+06 8.76E+06 5.12E+06 7.26E+06 8.27E+06 5.57E+06 6.31E+06 8.69E+06 9.59E+06 7.8E+06 7.54E+06 6.29E+06 5.69E+06 5.58E+06 6.42E+06 7.13E+06 6.89E+06 6.04E+06 7.89E+06 6.46E+06 6.84E+06 L-CYSTEIC ACID 1.23E+06 7.99E+05 8.75E+05 5.02E+05 6.84E+05 1.02E+06 1.06E+06 9.31E+05 7.15E+05 7.44E+05 5.09E+05 6E+05 1.05E+06 7.19E+05 9.28E+05 8.4E+05 7.48E+05 4.24E+05 1.03E+06 4.99E+05 6.81E+05 4.91E+05 2.29E+05 9.49E+05 6.63E+05 8.8E+05 1.58E+05 4.49E+05 7.52E+05 3.18E+05 6.92E+05 7.13E+05 1.67E+05 9.59E+05 3.72E+05 6.2E+05 8.59E+05 5.11E+05 6.23E+05 8.47E+05 5.32E+05 8.17E+05 1.05E+06 4.64E+05 8.06E+05 6.8E+05 9.19E+05 8.27E+05 6.62E+05 9.05E+05 9.74E+05 LEUCINE 2.05E+09 2.05E+09 2.02E+09 1.63E+09 1.66E+09 1.61E+09 2E+09 1.26E+09 1.87E+09 1.6E+09 1.81E+09 2.23E+09 1.85E+09 1.66E+09 1.85E+09 1.61E+09 1.67E+09 1.93E+09 1.56E+09 1.75E+09 1.43E+09 1.33E+09 1.99E+09 1.52E+09 1.57E+09 1.66E+09 1.81E+09 1.66E+09 1.65E+09 1.72E+09 1.67E+09 1.63E+09 1.65E+09 1.93E+09 1.4E+09 1.58E+09 1.24E+09 1.26E+09 2.09E+09 1.84E+09 1.53E+09 2.15E+09 1.57E+09 2.02E+09 1.27E+09 1.23E+09 1.74E+09 1.76E+09 1.48E+09 1.65E+09 1.99E+09 Levetiracetam_1 5.06E+06 6.77E+06 7.35E+06 1.06E+07 3.53E+06 7.47E+06 3.03E+06 3.83E+06 7.52E+06 1.1E+07 9.06E+06 5.63E+06 2.32E+07 7.04E+06 5.53E+06 4.6E+06 1.85E+06 2.76E+06 3.56E+06 3.23E+06 5.21E+06 3.22E+06 1.11E+07 3.03E+06 2.6E+06 5.65E+06 6.25E+06 2.04E+06 9.02E+06 2.98E+06 5.4E+06 4.09E+06 3.81E+06 7.42E+06 3.35E+06 2.32E+06 4.58E+06 1.42E+06 6.99E+06 1.11E+07 3.07E+06 6.53E+06 2.16E+06 4.59E+06 3.07E+06 2.66E+06 1.37E+07 1.64E+06 3.25E+06 5.06E+06 6.25E+06 Levetiracetam_2 4.95E+06 5.08E+06 5.76E+06 9.05E+06 2.61E+06 5.54E+06 3.93E+06 3.6E+06 5.5E+06 8E+06 7.91E+06 5.22E+06 1.47E+07 6.48E+06 5.27E+06 4.36E+06 1.75E+06 2.89E+06 3.42E+06 3.07E+06 4.82E+06 2.94E+06 8.88E+06 3.08E+06 2.58E+06 4.7E+06 5.42E+06 1.82E+06 6.31E+06 3.82E+06 5.25E+06 3.39E+06 3.78E+06 5.39E+06 3.17E+06 1.89E+06 3.98E+06 1.69E+06 5.82E+06 7.67E+06 3.67E+06 4.88E+06 2.74E+06 4.35E+06 3.21E+06 2.15E+06 9.22E+06 2.5E+06 2.68E+06 3.66E+06 5.3E+06 Levetiracetam_3 1.71E+06 7.61E+05 2.85E+05 1.03E+06 2.14E+05 9.48E+05 2.38E+05 6.54E+04 4.46E+05 1.49E+05 1.15E+05 6.48E+05 3.93E+05 9.83E+05 5.11E+05 1.63E+05 5.19E+05 2.02E+05 4.16E+05 4.92E+05 7.97E+05 9.88E+05 6.31E+04 4.13E+05 1.66E+04 9.43E+05 5.02E+05 1.72E+05 1.05E+06 1.09E+06 1.12E+06 1.7E+04 5.35E+04 4.92E+05 7.63E+05 2.07E+05 4.78E+05 7.6E+04 1.03E+06 1.16E+06 5.99E+05 4.67E+05 2.73E+05 1.08E+05 8.76E+05 6.6E+03 3.24E+05 1.31E+05 4.58E+05 4.21E+05 2.14E+06 Levetiracetam_4 8.81E+05 7.59E+05 1.23E+06 2.2E+05 1.24E+05 8.82E+05 3.14E+06 5.98E+05 3.08E+05 5.95E+04 4.24E+05 1.88E+06 4.82E+05 3.17E+05 1.49E+05 1.14E+05 1.73E+05 1.05E+06 5.47E+05 4.16E+05 1.64E+06 1.76E+06 3.93E+05 1.36E+06 3.84E+05 1.77E+05 7.58E+04 4.27E+05 9.93E+04 2.01E+05 6.6E+04 9.12E+03 9.11E+05 9.68E+05 5.84E+04 2.09E+05 1.27E+06 6.25E+05 4.87E+04 3.73E+04 1.34E+06 1.15E+06 1.99E+06 4.57E+04 1.87E+06 1.1E+05 4.58E+05 1.89E+06 9.79E+05 5.18E+05 1.88E+06 L-Glutamate 2.4E+05 1.97E+05 3.27E+05 1.01E+05 5.11E+04 2.96E+05 2.7E+05 4.51E+04 1.11E+05 5.16E+04 2.43E+04 1.47E+05 1.99E+04 7.16E+03 5.57E+03 1.26E+05 1.92E+04 4.54E+03 8.59E+05 1.77E+04 8.03E+05 1.35E+05 1.38E+04 1E+05 8.08E+03 1.31E+04 1.52E+05 6.18E+04 7.46E+04 8.16E+04 2.36E+05 7.2E+03 4.63E+03 3.24E+04 1.83E+05 1.26E+05 2.84E+05 7.02E+04 3.28E+04 2.04E+05 1.47E+04 8.99E+04 1.96E+05 1.92E+04 5.05E+05 1.21E+04 3.1E+04 2.3E+03 6.63E+03 2.58E+04 8.38E+05 L-GLUTAMINE 2.14E+08 2.45E+08 2.31E+08 1.71E+08 1.95E+08 2.28E+08 2.45E+08 1.51E+08 2.09E+08 1.49E+08 2.6E+08 2.36E+08 2.15E+08 2.28E+08 2E+08 2.1E+08 2.26E+08 2.01E+08 1.78E+08 1.79E+08 1.75E+08 1.97E+08 2.17E+08 1.78E+08 2.68E+08 2.34E+08 2.05E+08 1.68E+08 2.31E+08 2.07E+08 2.19E+08 1.79E+08 2.11E+08 2E+08 1.86E+08 1.73E+08 1.79E+08 1.56E+08 2.32E+08 2.21E+08 1.94E+08 2.22E+08 1.68E+08 2.11E+08 1.95E+08 1.97E+08 2.79E+08 2.05E+08 1.92E+08 1.94E+08 2.63E+08 L-HISTIDINE 4.92E+07 5.56E+07 4.17E+07 4.16E+07 4.93E+07 4.03E+07 4.42E+07 3.29E+07 4.84E+07 4.36E+07 5.95E+07 5.36E+07 3.74E+07 4.78E+07 3.99E+07 4.28E+07 4.94E+07 3.7E+07 4.33E+07 7.04E+07 5E+07 4.94E+07 3.71E+07 5.21E+07 5.09E+07 4.22E+07 3.98E+07 4.46E+07 5.24E+07 4.71E+07 3.69E+07 4.69E+07 3.89E+07 5.75E+07 3.72E+07 4.58E+07 4.73E+07 4.22E+07 4.83E+07 6.23E+07 4.46E+07 5.62E+07 4.05E+07 4.72E+07 4.65E+07 4.98E+07 5.92E+07 4.36E+07 4.57E+07 4.12E+07 6.45E+07 L-Histidine 1.36E+06 1.35E+06 3.13E+07 2.76E+06 4.75E+06 3.67E+05 1.11E+06 1.82E+06 1.26E+06 1.5E+06 9.41E+06 1.88E+06 1.09E+06 9.52E+05 3.42E+06 9.36E+05 1.24E+06 4.5E+07 3.72E+05 2.65E+07 2.75E+05 5.16E+06 6.87E+05 2.67E+06 2.69E+06 1.33E+06 1.36E+06 6.11E+05 2.83E+06 2.18E+06 9.23E+05 3.06E+05 4.46E+06 1.45E+07 2.86E+06 6.54E+05 2.94E+06 1.42E+06 1.39E+06 5.58E+05 1.06E+06 9.04E+06 1.48E+06 3.97E+05 3.66E+06 7.83E+06 1.34E+06 1.36E+06 2.46E+06 4.1E+05 1.35E+06 L-Histidinol_1 4.53E+06 6.23E+06 1.53E+07 7.41E+06 7.49E+06 6.2E+06 6.59E+06 9.46E+06 8.31E+06 8.16E+06 2.53E+06 5.6E+06 5.28E+06 8.48E+06 4.59E+06 9.83E+06 6.65E+06 9.22E+05 7.68E+06 4.76E+06 5.01E+06 3.07E+06 2.57E+06 3.12E+06 7.28E+04 6.07E+06 9.19E+06 9.24E+06 8.87E+06 9.8E+06 8.54E+06 8.3E+05 2.07E+06 4.37E+06 3.45E+06 8.49E+06 2.98E+06 3.44E+06 9.74E+06 9.18E+06 4.33E+06 2.99E+06 4.99E+06 3.89E+06 2.41E+06 2.6E+06 3.05E+06 1.09E+05 4.66E+06 1.04E+07 8.4E+06 L-Histidinol_2 7E+05 7.69E+05 5.17E+05 7.05E+05 9.93E+03 6.4E+05 1.26E+06 5.77E+04 3.05E+05 2.89E+05 6.76E+05 8.12E+05 1.03E+05 2.46E+05 1.9E+05 3.99E+05 5.45E+04 1.08E+06 4.05E+05 2.49E+05 6.99E+05 4.28E+05 6.28E+05 6.48E+05 4.6E+05 2E+05 1.59E+05 4.1E+04 1.2E+05 3.14E+05 3.41E+04 4E+04 7.3E+05 7.13E+05 1.23E+05 9.78E+04 3.99E+05 5.03E+05 6.98E+04 1.25E+05 2.51E+05 5.2E+05 7.63E+05 5.29E+05 4.97E+05 2.62E+05 2.84E+05 8.91E+05 1.8E+05 7.9E+04 1.07E+06 Lichenin 4.92E+07 5.22E+07 4.18E+07 4.08E+07 4.02E+07 5.32E+07 5.82E+07 3.12E+07 3.76E+07 3.15E+07 4.64E+07 3.85E+07 3.28E+07 4.46E+07 5.07E+07 3.61E+07 4.02E+07 3.26E+07 2.9E+07 4.57E+07 2.82E+07 3.86E+07 3.11E+07 4.03E+07 4.41E+07 6.74E+07 4.44E+07 4.06E+07 4.79E+07 4.14E+07 4.62E+07 4.91E+07 3.48E+07 3.96E+07 4.1E+07 4.73E+07 4.2E+07 5.67E+07 5.11E+07 4.48E+07 2.95E+07 4.75E+07 2.97E+07 4E+07 3.16E+07 4.58E+07 5.21E+07 3.1E+07 3.82E+07 3.26E+07 4.69E+07 Linamarin_1 5.99E+05 1.05E+06 2.05E+06 1.05E+06 1.01E+06 1.02E+06 1.51E+06 4.17E+06 9.4E+05 1.69E+06 3.41E+06 4.58E+05 2.33E+06 2.42E+06 3.1E+06 2.14E+06 1.24E+06 2.56E+06 8.53E+05 9.97E+05 6.25E+05 5.1E+05 2.06E+06 6.29E+05 1.57E+06 8.2E+05 1.12E+06 7.62E+05 9.02E+05 2.9E+06 1.47E+06 2.12E+06 2.98E+06 6.1E+05 1.12E+06 1.34E+06 4.89E+05 5.14E+05 9.48E+05 6E+05 2.45E+06 3.77E+05 6.43E+05 2.05E+06 3.62E+05 2.34E+06 2.29E+06 2.29E+06 3.16E+05 1.17E+06 3.86E+05 Linamarin_2 1.55E+05 3.21E+05 7.97E+05 2.92E+05 2.92E+05 3.2E+05 4.51E+05 1.54E+06 3.01E+05 3.4E+05 1.12E+06 1.39E+05 8.94E+05 5.9E+05 1.48E+06 7.82E+05 4.95E+05 2.29E+06 1.74E+05 2.91E+05 1.08E+05 8.4E+04 1.35E+06 9.8E+04 1.13E+06 3.15E+05 3.19E+05 1.95E+05 2.78E+05 8.83E+05 3.22E+05 1.54E+06 1.81E+06 8.19E+04 3.34E+05 3.74E+05 7.01E+04 6.91E+04 3.15E+05 1.7E+05 1.11E+06 2.13E+04 1.39E+05 1.07E+06 8.73E+04 8.97E+05 4.93E+05 1.97E+06 5.07E+04 2.29E+05 8.16E+04 Linoleate_1 7.24E+06 3.33E+06 1.53E+06 1.94E+06 2.01E+06 7.97E+05 2.55E+06 7.01E+05 3.21E+06 3.15E+06 9.12E+05 1.99E+06 9.51E+05 1.53E+06 1.78E+06 3.34E+06 1.34E+06 2.87E+06 1.23E+06 7.87E+05 2.17E+06 1.69E+07 8.64E+05 2.54E+06 4.96E+05 1.18E+06 3.21E+06 2.02E+06 3.32E+06 1.99E+06 5.96E+06 1.07E+06 2.01E+06 6.97E+06 1.14E+06 3.99E+06 2.19E+06 5.82E+06 6.49E+06 7.75E+05 1.62E+06 4.06E+06 2.35E+06 1.34E+06 4.25E+06 2.36E+06 1.95E+07 2.02E+06 1.29E+06 5.49E+06 1.99E+06 Linoleate_2 1.25E+06 1.19E+06 1.33E+06 2.15E+06 1.15E+06 1.28E+06 1.13E+06 1.17E+06 1.11E+06 1.11E+06 1.31E+06 1.06E+06 1.22E+06 1.06E+06 1.25E+06 8.94E+05 1.07E+06 8.89E+05 9.23E+05 1.01E+06 8.5E+05 8.22E+05 9.23E+05 8.45E+05 8.48E+05 8.72E+05 1.06E+06 8.7E+05 7.93E+05 7.62E+05 7.97E+05 9.42E+05 8.47E+05 6.95E+05 7.13E+05 7.02E+05 9.41E+05 6.85E+05 7.17E+05 8.55E+05 7.84E+05 6.5E+05 8.88E+05 6.76E+05 8.52E+05 5.68E+05 1.27E+06 6.7E+05 7.29E+05 8.28E+05 1.31E+06 Linoleate_3 1.08E+06 4.99E+05 2.53E+05 1.41E+05 3.21E+05 7.27E+04 5.35E+05 9.12E+04 2.29E+05 2.78E+05 1.61E+05 2.67E+05 2.48E+05 1.63E+05 3.61E+05 2.05E+05 1.47E+05 3.1E+05 2.02E+05 1.64E+05 5.96E+04 1.58E+06 1.09E+05 2.47E+05 6.5E+04 2.1E+05 4.38E+05 1.88E+05 1.8E+05 2.57E+05 2.65E+05 1.65E+05 2.67E+05 4.2E+05 8.33E+04 3.86E+05 1.24E+05 2.84E+05 4.15E+05 1.01E+05 2.61E+05 5.29E+05 2.16E+05 2.14E+05 1.21E+06 1.06E+05 2.55E+06 4.63E+05 1.39E+05 7.42E+05 3.27E+05 L-ISOLEUCINE 1.17E+09 1.16E+09 1.08E+09 1.04E+09 9.04E+08 9.07E+08 1.06E+09 6.94E+08 1E+09 7.97E+08 1.05E+09 1.31E+09 9.18E+08 9.32E+08 1.1E+09 1.03E+09 9.25E+08 1.09E+09 8.75E+08 1.03E+09 6.93E+08 6.61E+08 1.09E+09 8.66E+08 8.99E+08 9.56E+08 1.14E+09 8.98E+08 8.82E+08 9.53E+08 9.89E+08 8.56E+08 9.51E+08 1.07E+09 8.61E+08 8.23E+08 7.12E+08 6.7E+08 1.21E+09 9.36E+08 7.07E+08 1.16E+09 7.83E+08 1.17E+09 6.91E+08 5.98E+08 7.96E+08 1.04E+09 8.2E+08 8.8E+08 1E+09 L-Kynurenine 1.59E+07 1.43E+07 1.54E+07 1.12E+07 9.53E+06 1.24E+07 1.09E+07 6.54E+06 1.27E+07 9.01E+06 8.66E+06 1.4E+07 9.37E+06 1.12E+07 1.19E+07 1.05E+07 8.79E+06 1.33E+07 1.13E+07 1.46E+07 1.06E+07 1.15E+07 1.78E+07 1.07E+07 8.27E+06 1.27E+07 1.12E+07 1.1E+07 1.28E+07 7.51E+06 1.3E+07 1.41E+07 1.08E+07 1.03E+07 1.2E+07 1.04E+07 9.87E+06 6.61E+06 1.1E+07 1.64E+07 6.81E+06 1.1E+07 9.31E+06 1.15E+07 1.04E+07 8.05E+06 1.25E+07 1.07E+07 9.86E+06 1.08E+07 1.91E+07 L-Leucine_1 7.19E+06 1.26E+05 2.85E+06 3.34E+06 7.98E+05 5.87E+06 9.23E+05 7.29E+04 1.84E+06 1.51E+06 1.37E+06 2.13E+06 2.69E+06 9.53E+05 8.73E+05 2.08E+06 5.03E+05 8.23E+05 3.95E+06 2.76E+04 8.53E+05 5.61E+05 2.48E+06 7.26E+05 7.65E+05 1.43E+06 4.7E+06 2.25E+06 2.07E+06 2.04E+06 3.32E+06 5.64E+05 1.42E+06 8.98E+05 6.4E+06 2.75E+06 6.46E+05 1.79E+06 8.21E+05 2.11E+05 3.56E+06 4.11E+06 1.33E+06 2.17E+07 1.24E+05 7.88E+05 2.11E+06 1.28E+06 2.54E+06 4.77E+05 1.45E+06 L-Leucine_2 4.66E+05 3.52E+05 2.11E+05 6.62E+05 2.99E+05 1.88E+05 1.62E+05 2.35E+05 5.18E+05 2.23E+05 1.03E+05 3.04E+05 1.29E+05 8.68E+05 2.98E+05 5.96E+04 1.41E+05 2.46E+05 3.3E+05 2.95E+05 2.91E+05 2.25E+05 4.38E+05 2.43E+05 4.12E+05 2.95E+05 2.82E+05 3.24E+05 2.06E+05 1.26E+06 5.36E+05 4.73E+05 2.78E+05 1.6E+05 9.53E+05 3.73E+04 2.36E+05 1.56E+05 3.08E+04 7.48E+04 7.5E+05 6.21E+05 3.14E+05 1.22E+06 1.92E+05 6.01E+08 9.95E+04 1.74E+05 8.25E+04 4.43E+04 6.57E+05 L-Lysine 1,6-lactam 2.53E+06 3.81E+05 5.05E+05 4.03E+05 3.72E+05 4.9E+05 3.26E+05 2.05E+05 4.25E+05 3.06E+05 9.64E+05 4.32E+05 3.48E+05 6.99E+06 1.43E+06 7.21E+05 1.27E+06 4.79E+05 4.46E+05 4.41E+05 7.14E+05 1.24E+06 4.83E+05 5.87E+05 3.54E+05 4.11E+05 3.46E+05 3.39E+05 4.61E+05 7.67E+06 3.08E+06 4.84E+05 3.91E+05 4.24E+05 6.5E+05 3.25E+05 5.01E+05 6.58E+05 4.44E+05 5.16E+05 3.22E+06 8.89E+05 3.48E+05 9.8E+05 1.89E+06 4.66E+05 7.06E+05 6.55E+05 4.15E+05 3.82E+05 3.25E+06 L-Methionine 2.98E+06 1.34E+06 1.92E+06 1E+06 1.04E+06 2.85E+06 1.39E+06 8.25E+05 1.12E+06 1.21E+06 1.65E+06 1.43E+06 2.09E+06 1.18E+06 9.31E+05 9.47E+05 1.03E+06 1.94E+06 2.07E+06 9.89E+05 1.22E+06 3.19E+06 1.59E+06 2.06E+06 1.97E+06 1.34E+06 1.25E+06 1.2E+06 2.95E+06 1.3E+06 1.13E+06 2.73E+06 1.87E+06 1.07E+06 9.15E+05 1.49E+06 1.51E+06 1.05E+06 9.18E+05 2.34E+06 1.22E+06 1.11E+06 1.33E+06 2.19E+06 3.03E+06 1.76E+06 2.19E+06 1.22E+06 1.14E+06 8.15E+05 1.91E+06 L-Methionine S-oxide_1 6.05E+07 6.51E+07 5.63E+07 4.67E+07 4.54E+07 3.83E+07 6.13E+07 3.43E+07 6.03E+07 3.22E+07 6.04E+07 5.96E+07 3.07E+07 5.49E+07 4.94E+07 4.84E+07 4.94E+07 5.28E+07 4.23E+07 3.99E+07 4.34E+07 3.38E+07 6.22E+07 3.3E+07 5.49E+07 5.23E+07 4.59E+07 4.05E+07 5.01E+07 4.45E+07 4.6E+07 5.22E+07 4.87E+07 4.58E+07 3.47E+07 3.47E+07 3.3E+07 2.93E+07 5.46E+07 6.66E+07 5.25E+07 4.6E+07 4.3E+07 5.54E+07 2.7E+07 3.89E+07 5.56E+07 4.54E+07 5.42E+07 4.37E+07 6.51E+07 L-Methionine S-oxide_2 5.81E+05 5.63E+05 1.6E+05 3.25E+05 8.03E+05 1.15E+06 5.27E+05 1.23E+04 1.05E+06 1.24E+05 1.45E+04 7.43E+05 3E+05 1.69E+05 1.26E+04 9.65E+04 1.46E+06 1.65E+05 3.35E+05 1.48E+06 1.82E+04 1.14E+05 1.82E+05 1.49E+05 8.39E+05 3.36E+06 6.03E+05 1.28E+05 8.12E+05 4.16E+04 2.12E+05 7.46E+05 2.19E+04 2.82E+05 1.46E+06 3.44E+05 1.39E+05 7.81E+04 4.81E+06 1.98E+06 7.44E+04 3.47E+05 1.88E+05 6.89E+03 6.62E+04 3.3E+05 1.11E+06 6.56E+04 1.05E+06 1.18E+05 4.31E+05 L-Octanoylcarnitine 7.32E+06 4.43E+06 1.3E+07 6.66E+06 5.94E+06 3.33E+06 1.43E+07 3.59E+06 2.16E+07 1.48E+07 4.56E+06 6.22E+06 7.13E+06 4.51E+06 5.95E+06 2.09E+07 4.05E+06 9.87E+06 4.7E+06 1.87E+06 2.81E+06 3.11E+06 4.43E+06 5.31E+06 4.09E+05 5.98E+06 5.53E+06 3.3E+06 1.32E+06 3.58E+06 9.35E+06 3.53E+06 1.3E+07 8.09E+06 3.24E+06 4.64E+06 2.35E+06 6.23E+06 4.14E+06 2.12E+06 1.08E+06 1.46E+07 3.77E+06 4.69E+06 2.19E+06 4.2E+06 9.17E+06 8.58E+06 4.53E+06 6.52E+06 3.63E+06 Lophocerine 7.13E+06 1.09E+03 0 1.61E+03 0 1.33E+03 0 0 0 0 0 0 0 4.66E+05 7.71E+05 0 1.4E+04 0 0 0 0 1.94E+06 1.69E+03 6.71E+04 0 0 0 0 0 1.77E+06 1.38E+06 716 0 0 1.91E+04 0 1.49E+03 1.65E+04 0 0 9.67E+05 0 0 1E+05 5.12E+05 0 0 0 0 0 2.74E+06 Lophophorine 1.16E+06 4.96E+05 1.25E+06 3.88E+05 6.46E+05 6.05E+05 1.39E+06 8.57E+05 4.52E+05 5.2E+05 3.01E+05 3.54E+05 3.3E+06 3.37E+05 1.15E+06 3.99E+05 4.72E+05 1.03E+06 3.74E+05 4.72E+05 3.75E+05 3.49E+05 7.33E+05 6.98E+05 2.57E+05 3.58E+05 3.63E+05 2.58E+05 2.63E+05 5.46E+05 4.47E+05 7.14E+05 1.66E+06 1.09E+06 5.17E+05 5.1E+05 6.46E+05 3.52E+05 7.78E+05 4.19E+05 4.12E+05 2.01E+06 4.96E+05 5.59E+05 2.38E+05 4.04E+05 4.08E+05 4.41E+05 3.87E+05 2.87E+05 7.32E+05 L-Phenylalanine 1.12E+09 1.08E+09 1.58E+09 1.18E+09 9.52E+08 8.97E+08 1.16E+09 6.8E+08 9.39E+08 9.52E+08 1E+09 1.15E+09 7.67E+08 9.99E+08 1.07E+09 8.42E+08 9.45E+08 1.43E+09 9.22E+08 9.97E+08 9.12E+08 8.48E+08 1.21E+09 8.71E+08 7.73E+08 8.28E+08 8.87E+08 9.16E+08 9.31E+08 8.72E+08 9.21E+08 9.28E+08 1.29E+09 1.02E+09 7.41E+08 8.86E+08 8.1E+08 7.27E+08 1.04E+09 1.09E+09 9.58E+08 1.1E+09 7.74E+08 9.97E+08 7.48E+08 7.39E+08 1.1E+09 8.6E+08 8.95E+08 7.87E+08 1.41E+09 L-Pipecolate_1 6.77E+06 8.42E+06 1.13E+07 1.45E+07 5.14E+06 1.2E+07 5.42E+06 6.68E+06 1.09E+07 1.84E+07 1.23E+07 1.1E+07 2.96E+07 1.21E+07 8.94E+06 8.12E+06 4.18E+06 1E+07 5.73E+06 6.07E+06 7.31E+06 3.65E+06 1.94E+07 4.76E+06 5.35E+06 9.05E+06 1.12E+07 3.3E+06 1.29E+07 5.79E+06 8.05E+06 7.33E+06 8.94E+06 1.1E+07 7.02E+06 3.95E+06 9.38E+06 2.69E+06 1.11E+07 1.83E+07 6.95E+06 8.86E+06 3.94E+06 8.39E+06 4.67E+06 5.53E+06 1.58E+07 6.79E+06 5.7E+06 8.58E+06 1.17E+07 L-Pipecolate_2 2.6E+06 3.17E+06 5.17E+06 2.78E+06 2.78E+06 3.59E+06 5.37E+06 1.74E+06 2.71E+06 2.6E+06 3.78E+06 4E+06 2.46E+06 2.48E+06 2.21E+06 3.29E+06 3.13E+06 3.21E+06 3.46E+06 3.09E+06 2.81E+06 2.51E+06 2.78E+06 4.57E+06 2.39E+06 2.81E+06 3.17E+06 3.33E+06 1.86E+06 3.05E+06 2.57E+06 2.13E+06 3.22E+06 2.8E+06 1.95E+06 2.73E+06 4.93E+06 3.83E+06 1.6E+06 1.85E+06 4.39E+06 2.65E+06 2.87E+06 2.75E+06 2.72E+06 3.37E+06 2.93E+06 3.23E+06 2.9E+06 2.28E+06 4.42E+06 L-Pipecolate_3 3.15E+06 4.62E+05 4.65E+06 5.51E+05 1.49E+07 4.17E+06 5.9E+06 2.08E+06 6.66E+06 5.77E+05 3.55E+06 1.99E+06 1.67E+06 3.74E+06 3.91E+06 1.31E+07 1.65E+06 4.14E+07 5.21E+05 3.29E+06 6.51E+05 6.95E+05 2.06E+06 3.98E+05 1.08E+06 2.34E+06 1.61E+07 1.09E+06 7.83E+05 8.02E+06 5.02E+06 5.32E+06 2.76E+07 5.96E+05 1.87E+06 2.89E+06 3.95E+05 7.05E+05 1.01E+06 1.16E+07 2.76E+06 5.13E+05 4.78E+05 4.27E+06 1.18E+06 1.97E+06 1.93E+06 2.73E+07 2.26E+05 4.24E+05 3.49E+06 L-Pipecolate_4 1.11E+06 1.23E+06 2.12E+06 1.13E+06 1.06E+06 1.17E+06 1.68E+06 2.34E+06 8.18E+05 1.61E+06 2.23E+06 1.03E+06 2.17E+06 1.73E+06 2.99E+06 1.68E+06 1.04E+06 3.17E+06 8.29E+05 1.11E+06 9.07E+05 6.73E+05 2.53E+06 8.12E+05 1.42E+06 8.89E+05 1.41E+06 8.41E+05 1.11E+06 2.13E+06 1.56E+06 2.09E+06 2.64E+06 1.14E+06 1.22E+06 1.41E+06 6.28E+05 6.04E+05 1.18E+06 1E+06 2.07E+06 6.3E+05 7.57E+05 2.35E+06 5.8E+05 1.73E+06 1.48E+06 3.18E+06 5.53E+05 1.22E+06 1.13E+06 L-PIPECOLIC ACID 7.8E+07 8.84E+07 1.55E+08 5.77E+07 7.87E+07 1.92E+08 1.1E+08 4.5E+07 7.49E+07 5.8E+07 1.28E+08 2.77E+08 1.02E+08 1.07E+08 9.36E+07 7.57E+07 8.93E+07 1.53E+08 4.33E+07 9.28E+07 5.91E+07 4.93E+07 1.39E+08 9.33E+07 1.3E+08 1.82E+08 5.33E+07 6.76E+07 9.17E+07 8.38E+07 5.14E+07 1.09E+08 1.55E+08 5.02E+07 6.22E+07 6.11E+07 1.8E+08 5.9E+07 7.3E+07 1.22E+08 2.47E+08 5.41E+07 5.7E+07 8.61E+07 5.16E+07 1.05E+08 1.27E+08 2.83E+08 7.81E+07 7.11E+07 1.95E+08 L-PROLINE 6.19E+08 8.53E+08 8.69E+08 5.45E+08 6.29E+08 7.67E+08 8.4E+08 4.3E+08 6.18E+08 4.18E+08 7.17E+08 8.08E+08 5.58E+08 7.81E+08 7.52E+08 7E+08 8.09E+08 1.12E+09 4.95E+08 8.59E+08 4.91E+08 4.6E+08 1E+09 4.08E+08 8.81E+08 9.1E+08 7.23E+08 6.87E+08 8.37E+08 6.77E+08 5.5E+08 7.71E+08 1.1E+09 7.15E+08 7.34E+08 6.92E+08 4.12E+08 4.42E+08 1.38E+09 9.36E+08 7.53E+08 7.09E+08 6.97E+08 1.09E+09 3.94E+08 5.82E+08 5.33E+08 7.9E+08 7.51E+08 8.27E+08 9.03E+08 L-Rhamnose 7.4E+06 7.6E+06 3.7E+06 3.68E+06 4.39E+06 4.77E+06 4.18E+06 2.7E+06 4.69E+06 3.07E+06 5.71E+06 5.88E+06 4.07E+06 7.53E+06 4.24E+06 4.73E+06 5.64E+06 2.87E+06 5.37E+06 4.39E+06 3.94E+06 3.3E+06 3.87E+06 3.5E+06 5.6E+06 3.86E+06 3.98E+06 4.41E+06 4.07E+06 5.58E+06 5.72E+06 5.78E+06 2.32E+06 5.62E+06 4.43E+06 4.15E+06 3.25E+06 3.18E+06 4.68E+06 4.87E+06 4.76E+06 4.7E+06 2.6E+06 4.42E+06 2.83E+06 3.55E+06 7.66E+06 4.95E+06 4.02E+06 5.43E+06 7.36E+06 L-SERINE 6.82E+06 9.41E+06 8.07E+06 7.97E+06 2.11E+06 7.82E+06 9.4E+06 6.53E+06 9.32E+06 6.72E+06 4.43E+06 6.36E+06 2.29E+06 9.36E+06 2.64E+06 9.28E+06 8.66E+06 5.78E+06 1.05E+07 2.68E+06 8.56E+06 2.78E+06 6.59E+06 5.29E+06 5.2E+06 4.58E+06 9.17E+06 8.53E+06 9.4E+06 5.66E+06 1.07E+07 5.29E+06 5.63E+06 6.85E+06 9.44E+06 7.41E+06 2.19E+06 6.83E+06 3.25E+06 9.01E+06 4.39E+06 6.95E+06 3.7E+06 6.35E+06 7.04E+06 2.41E+06 4.45E+06 2.58E+06 8.17E+06 9.31E+06 9.15E+06 L-THREONINE 1.09E+08 6.61E+07 6.77E+07 4.7E+07 4.74E+07 7.01E+07 8.68E+07 4.76E+07 7.61E+07 5.2E+07 9.98E+07 6.01E+07 4.1E+07 6.59E+07 6.99E+07 7.45E+07 7.42E+07 5.64E+07 8.11E+07 5.96E+07 1.03E+08 6.81E+07 9.15E+07 7.22E+07 1.13E+08 8.36E+07 7.65E+07 4.63E+07 1E+08 5.41E+07 6.3E+07 1.23E+08 6.03E+07 6.14E+07 6.95E+07 4.58E+07 8.56E+07 6.25E+07 8.02E+07 1.25E+08 4.86E+07 5.56E+07 6.34E+07 8.3E+07 7.27E+07 7.47E+07 9.27E+07 4.58E+07 8.91E+07 5.23E+07 1.58E+08 L-Tryptophan_1 5.82E+08 5.92E+08 6.31E+08 5.94E+08 3.58E+08 4.54E+08 5.79E+08 2.56E+08 4.5E+08 4.34E+08 4.66E+08 7.47E+08 3.01E+08 4.88E+08 4.6E+08 3.65E+08 4.04E+08 4.57E+08 4.18E+08 5.18E+08 4.29E+08 4.52E+08 5.77E+08 4.98E+08 3.4E+08 5.19E+08 3.56E+08 4.39E+08 4.79E+08 3.21E+08 4.25E+08 3.63E+08 4.35E+08 4.87E+08 4.11E+08 3.76E+08 4.22E+08 3.4E+08 3.87E+08 5.42E+08 4.33E+08 4.32E+08 4.84E+08 4.08E+08 3.9E+08 4.11E+08 5.67E+08 3.44E+08 4.42E+08 4.31E+08 6.22E+08 L-Tryptophan_2 2.33E+05 1.36E+05 1.96E+05 1.16E+05 1.85E+05 1.41E+04 1.46E+05 1.9E+05 1.15E+05 1.29E+05 1.83E+05 2.07E+05 9.51E+04 1.61E+05 1.13E+05 1.08E+05 1.49E+05 1.31E+05 1.83E+05 1.56E+05 8.01E+04 1.91E+05 1.78E+05 2.84E+05 1.85E+05 7.94E+04 1.03E+05 1.15E+05 7.76E+04 2.21E+05 8.44E+04 1.11E+05 1.76E+05 6.01E+04 6.09E+04 1.34E+05 1.84E+05 1.53E+05 7.04E+04 1.05E+05 2.5E+05 1.1E+05 1.09E+05 7.71E+04 1.26E+05 2.92E+05 3.44E+05 1.04E+05 1.48E+05 1.65E+05 3E+05 L-Tyrosine_1 5.85E+08 4.2E+08 5.36E+08 3.78E+08 3.53E+08 3.41E+08 5.97E+08 2.82E+08 4.64E+08 2.65E+08 4.6E+08 5.06E+08 2.45E+08 4.19E+08 4.24E+08 3.52E+08 3.78E+08 4.43E+08 3.72E+08 3.94E+08 2.76E+08 2.22E+08 4.92E+08 2.67E+08 3.67E+08 5.5E+08 3.53E+08 3.3E+08 3.62E+08 3.47E+08 3.54E+08 3.3E+08 3.55E+08 4.24E+08 2.93E+08 3.05E+08 2.01E+08 2.07E+08 4.83E+08 3.96E+08 3.89E+08 4.19E+08 4.78E+08 4.84E+08 2.23E+08 2.4E+08 4.93E+08 4E+08 3.46E+08 3.89E+08 4.66E+08 L-Tyrosine_2 3.42E+06 3.58E+06 8.77E+06 6.94E+06 3E+06 5.39E+06 3.64E+06 3.31E+06 3.46E+06 5.09E+06 1.26E+06 3.8E+06 2.57E+06 2.79E+06 2.77E+06 3.74E+06 3.38E+06 1.6E+06 7.58E+06 3.76E+06 4.39E+06 3.64E+06 1.07E+06 3.25E+06 6.25E+05 2.95E+06 2.87E+06 6.36E+06 3.25E+06 3.86E+06 3.85E+06 6.42E+05 1.4E+06 3.72E+06 3.41E+06 7.79E+06 3.52E+06 3.09E+06 3.25E+06 3.41E+06 2.14E+06 3.39E+06 3.09E+06 1.47E+06 3.03E+06 8.29E+05 1.35E+06 7.95E+05 1.7E+06 3.4E+06 5.3E+06 L-Tyrosine_3 3.47E+05 2.19E+05 4.17E+05 2.9E+05 3E+05 1.38E+05 2.58E+05 4.67E+05 3.61E+05 1.32E+05 3E+05 2.36E+05 1.97E+05 1.45E+05 2.53E+05 2.77E+05 3.53E+05 3.06E+05 3.83E+05 2.94E+05 2.7E+05 2.28E+05 2.72E+05 2.44E+05 4.22E+05 2.78E+05 2.71E+05 2.73E+05 1.63E+05 4.36E+05 2.34E+05 2.11E+05 2.35E+05 2.91E+05 1.54E+05 3.49E+04 1.58E+05 1.76E+05 2.51E+05 1.74E+05 2.77E+05 1.87E+05 3.21E+05 2.02E+05 2.17E+05 3.04E+05 3.8E+05 1.91E+05 2.1E+05 3.02E+05 3.74E+05 L-Tyrosine methyl ester 2.8E+06 4.47E+04 2.18E+05 2.61E+05 4.29E+05 4.44E+05 6.86E+04 5.68E+04 1.62E+05 2.15E+05 2.1E+05 6.79E+04 1.04E+05 1.12E+05 1.33E+06 2.22E+06 2.83E+04 4.16E+05 7.43E+05 1.68E+05 6.38E+04 2.49E+04 8.24E+04 4.7E+05 1.42E+05 9.8E+04 6.11E+04 5.73E+06 5.01E+05 3.18E+06 1.27E+06 1.18E+05 2.61E+05 1.11E+05 1.67E+05 5.24E+05 8.34E+04 6.22E+05 4.96E+05 4.8E+05 7.59E+04 5.77E+04 5.67E+04 1.42E+05 5.46E+04 1.23E+05 2.22E+05 6.02E+04 1.67E+05 5.86E+04 4.19E+05 Lycodine 1.85E+05 6.91E+05 8.39E+05 4.19E+05 9.06E+05 8.29E+05 5.06E+05 4.34E+05 3.93E+05 4.73E+05 8.19E+05 1.33E+06 3.21E+05 7.43E+03 4.88E+04 6.7E+05 1.08E+06 1.27E+06 6.38E+05 1.4E+06 4.03E+05 3.05E+04 7.77E+05 8.58E+04 3.9E+05 9.98E+05 2.85E+05 4.25E+05 9.21E+05 0 0 8.65E+05 8.59E+05 1.07E+06 3.24E+05 4.58E+05 2.76E+05 4.42E+05 1.34E+06 1.54E+06 7.58E+04 5.78E+05 2.11E+05 5.39E+05 4.5E+04 5.68E+05 7.17E+05 9.53E+05 8.01E+05 6.56E+05 4.73E+04 Maculosin 5.58E+06 9.42E+06 2.49E+06 9.13E+06 7.96E+05 3.27E+06 7.29E+06 3.33E+06 1.47E+06 2.81E+06 1.33E+06 3.15E+06 6.05E+05 4.41E+06 5.09E+06 7.17E+05 4.5E+05 7.84E+06 2.06E+06 6.03E+05 2.96E+06 5.93E+06 1.62E+06 6.33E+06 1.22E+06 7.82E+05 9.01E+05 3.23E+06 1.6E+06 1.12E+06 2.35E+06 1.61E+06 2.23E+06 2.94E+06 8.74E+05 1.08E+06 2.03E+06 2.06E+06 5.42E+05 3.95E+05 1.52E+06 2.36E+06 3.43E+06 2.29E+06 4.88E+06 1.21E+06 1.57E+06 1.68E+06 2.42E+06 4.23E+06 7.67E+06 Maleamate 3.03E+05 4.85E+05 3.11E+06 3.32E+05 2.3E+06 4.8E+05 8.59E+05 7.94E+05 6.01E+05 3.86E+05 1.38E+06 2.59E+05 8.2E+05 7.85E+05 8E+05 9.25E+05 6.51E+05 4.28E+06 4.69E+05 3.85E+05 1.75E+06 3.32E+05 1.11E+06 2.42E+05 3.28E+06 7.2E+05 5.34E+05 2.6E+06 6.8E+05 9.04E+05 6.46E+05 2.65E+06 1.21E+06 2.53E+05 5.61E+05 5.04E+05 1.58E+06 2.43E+05 4.56E+05 3.48E+05 8.15E+05 3.53E+04 4.56E+05 8.74E+05 3.47E+05 6.58E+05 6.6E+05 2.32E+06 2.54E+05 4.67E+05 2.77E+05 Mandelonitrile_1 6.42E+05 9.66E+05 6.95E+05 8.52E+05 1.88E+05 4.71E+05 1.26E+06 3.96E+05 3.97E+05 3.02E+05 6.77E+04 5.11E+05 1.4E+05 3.44E+05 5.33E+05 2.27E+05 1.78E+05 6.18E+05 6.82E+04 1.38E+05 4.92E+05 4.27E+05 3.06E+05 4.75E+05 2.43E+05 1.9E+05 2.69E+05 1.47E+05 3.56E+05 1.26E+05 2.84E+05 2.57E+05 3.49E+05 6.5E+05 2.55E+05 1.44E+05 2.27E+05 1.19E+05 1.23E+05 3.24E+05 2.38E+05 3.04E+05 8.04E+05 4.67E+05 3.62E+05 2.59E+05 3.04E+05 3.45E+05 2.23E+05 3.13E+05 1.06E+06 Mandelonitrile_2 1.55E+06 4.15E+05 4.39E+05 1.42E+05 3.33E+05 8.56E+05 5.3E+05 2.13E+05 5.02E+05 1.08E+05 2.77E+05 7.16E+05 1.57E+05 6.07E+04 9.77E+04 3.34E+05 4.19E+05 5.7E+05 7.19E+04 2.44E+05 2.38E+05 7.62E+05 2.08E+05 5.09E+05 1.4E+05 5.13E+05 3.22E+05 3.02E+05 1.09E+06 2.91E+05 6.02E+04 5.06E+05 3.22E+05 2.09E+05 1.84E+05 3.32E+05 4.05E+05 5.68E+04 1.86E+05 1.08E+06 3.17E+05 4.25E+05 4.31E+05 2.01E+05 3.01E+05 8.65E+05 4.47E+04 3.78E+05 1.53E+05 2.84E+05 3.76E+05 Mannitol_1 2.91E+05 2.66E+05 5.3E+05 5.2E+05 1.87E+05 3.87E+05 2.53E+05 2.16E+05 2.29E+05 3.48E+05 8.12E+04 3.11E+05 8.07E+04 1.44E+05 1.47E+05 2.88E+05 2.27E+05 1.13E+05 5.31E+05 2.21E+05 3.03E+05 1.86E+05 7.14E+04 2.69E+05 1.39E+04 1.9E+05 2.05E+05 4.92E+05 1.97E+05 2.31E+05 3.11E+05 2.03E+04 4.65E+04 3E+05 2.4E+05 6.55E+05 1.73E+05 2.18E+05 1.62E+05 2.73E+05 1.59E+05 2.11E+05 1.22E+05 9.71E+04 2.28E+05 4.88E+04 7.55E+04 2.21E+04 8.31E+04 6.07E+04 3.88E+05 Mannitol_2 1.31E+05 2.74E+04 3.2E+04 3.64E+04 1.28E+05 2.93E+05 6.92E+04 1.15E+04 2.58E+05 3.98E+04 8.38E+05 9.44E+04 1.13E+05 4.36E+05 1.65E+05 5.48E+05 5.33E+05 1.59E+04 1.32E+05 3.87E+05 1.23E+05 1.73E+05 3.95E+04 2.21E+05 1.36E+06 3.84E+05 8.08E+04 7.46E+04 5.04E+05 1.05E+05 9.2E+04 5.64E+05 9.47E+04 1.06E+06 2.61E+05 1.56E+04 1.33E+05 1.16E+06 3.33E+05 7.36E+04 4.7E+05 1.19E+05 3.06E+04 1.63E+05 1.39E+04 6.11E+05 3.84E+06 2.18E+05 2.98E+05 5.43E+04 9.65E+04 Mannopine 3.98E+03 2.41E+03 7.7E+03 4.99E+03 1.53E+03 2.28E+03 1.04E+04 5.26E+03 8.03E+03 1.04E+03 4.06E+03 6.36E+03 4.97E+03 5.06E+03 5.61E+03 3.66E+03 882 4.21E+03 3.81E+03 946 3.4E+03 4.35E+03 3.3E+03 2.45E+03 1.68E+03 792 2.36E+03 1.9E+03 2.04E+03 3.58E+03 4.76E+03 1.06E+03 2.07E+03 1.99E+03 2.87E+03 1.94E+03 1.75E+03 5.03E+03 1.04E+03 989 1.67E+03 4.15E+03 4.26E+03 1.9E+03 2.66E+03 1.98E+03 4.64E+03 1.85E+03 4.8E+03 3.95E+03 1.1E+04 MANNOSE 9.03E+08 9.47E+08 8.34E+08 8.9E+08 8.24E+08 9.74E+08 1.05E+09 7.29E+08 7.74E+08 7.96E+08 7.87E+08 7.73E+08 6.9E+08 9.64E+08 9.91E+08 7.76E+08 8.78E+08 7.33E+08 6.97E+08 9.69E+08 6.43E+08 7.63E+08 6.8E+08 8.95E+08 7.57E+08 1.26E+09 8.44E+08 8E+08 9.1E+08 7.72E+08 8.86E+08 9.7E+08 6.8E+08 7.56E+08 8.32E+08 8.99E+08 8.39E+08 1.15E+09 1.02E+09 9.39E+08 6.49E+08 9.27E+08 6.95E+08 8.27E+08 7.24E+08 9.43E+08 9.28E+08 6.57E+08 8.33E+08 7.19E+08 8.51E+08 Meloxicam 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 534 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Metaxalone 2.19E+06 1.04E+04 6.5E+04 1.15E+04 1.37E+04 3.79E+04 2.54E+04 1.41E+04 3.94E+03 1.3E+04 8.25E+03 2E+04 3.74E+04 5.36E+06 9.72E+05 8.68E+04 4.05E+05 4.49E+03 2.71E+04 1E+04 1.61E+05 1.16E+06 2.38E+04 4.1E+05 2.51E+04 2.91E+04 1.31E+04 1.34E+04 1.34E+04 6.45E+06 2.22E+06 1.5E+04 1.8E+04 3.8E+04 9.93E+05 2.65E+04 6.33E+04 3.99E+05 1.08E+04 8.09E+04 1.31E+06 2.93E+05 3.4E+04 3.96E+05 2.96E+06 1.49E+04 9.19E+04 9.66E+04 1.07E+04 2.86E+04 2.27E+06 Metformin 0 0 0 0 0 9.49E+03 0 0 0 2.76E+03 0 1.72E+03 1.77E+03 0 0 0 0 0 2.06E+03 2.45E+03 0 0 3.72E+03 0 1.93E+03 0 7.41E+05 0 0 1.05E+03 0 0 0 2.91E+04 0 0 1.09E+04 0 1.13E+04 0 0 0 0 0 0 4.14E+03 0 4.39E+05 6.75E+03 0 0 Methaphenilene 1.18E+06 9.98E+05 1.3E+06 8.11E+05 8.39E+05 1.12E+06 1.22E+06 4.95E+05 1.22E+06 7.76E+05 9.68E+05 1.27E+06 1.11E+06 7.79E+05 8.55E+05 9.24E+05 9.39E+05 1.07E+06 9.52E+05 9.28E+05 6.75E+05 6.61E+05 1.15E+06 8.05E+05 7.23E+05 8.11E+05 8.71E+05 7.98E+05 7.98E+05 7.63E+05 9.86E+05 8.14E+05 9.66E+05 7.66E+05 8.03E+05 8.14E+05 5.22E+05 5.6E+05 8.61E+05 8.51E+05 7.55E+05 7.19E+05 5.47E+05 9.82E+05 5.35E+05 5.83E+05 1.18E+06 9.38E+05 7.84E+05 7.59E+05 1.35E+06 Methyl 2-diazoacetamidohexonate_1 8.19E+04 1.07E+05 1.26E+05 1.63E+05 1.06E+05 1.42E+05 2.15E+05 1.29E+05 8.56E+03 7.78E+04 8.28E+04 1.59E+05 5.59E+04 1.85E+05 8.12E+04 7.47E+04 6.73E+04 9.66E+04 5.16E+05 1.29E+05 5.96E+04 8.73E+04 4.73E+04 9.59E+04 5.57E+04 1.07E+05 4.62E+05 7.19E+04 1.12E+05 7.57E+04 4.82E+05 4.06E+04 8.03E+04 1.56E+06 3.27E+05 7.49E+04 2.64E+05 1.32E+05 3.75E+05 1.29E+05 4.1E+04 2.42E+06 9.53E+04 6.26E+04 1.89E+05 1.74E+05 2.3E+05 1.81E+05 8.31E+04 6.83E+04 2.84E+04 Methyl 2-diazoacetamidohexonate_2 1.58E+05 4.13E+04 1.06E+05 6.74E+04 1.18E+05 1.57E+05 1.13E+05 8.52E+04 1.15E+05 7.91E+04 1.33E+05 6.12E+04 1.68E+05 1.06E+05 1.03E+05 1.17E+05 1.07E+05 8.1E+04 8.82E+04 1.59E+05 7.65E+04 9.43E+04 8.37E+04 3.16E+04 1.35E+04 6.12E+04 7.87E+04 3.18E+04 8.27E+04 9.28E+04 4.13E+04 5.57E+04 8.83E+04 1.22E+05 9.97E+04 6.64E+04 8.33E+04 8.41E+04 9.78E+04 5.73E+04 8.84E+04 6.67E+04 5.67E+04 5.43E+04 1.7E+04 8.54E+04 9.69E+04 8.95E+04 1.22E+05 9.91E+04 1.01E+05 Methyl 2-diazoacetamidohexonate_3 9.5E+04 9.14E+03 2.03E+04 8.99E+03 1.52E+04 1.48E+04 1.07E+04 9.66E+03 1.07E+04 1.96E+04 2.89E+04 1.93E+04 2.71E+04 5.35E+04 2.24E+04 1.13E+04 1.59E+04 1.49E+04 1.87E+04 1.61E+04 6.57E+03 1.62E+04 1.11E+04 1.3E+04 1.53E+04 2.02E+04 6.87E+03 2.98E+03 2.14E+04 7.46E+04 4.05E+04 1.13E+04 2.92E+04 1.78E+05 6.62E+04 1.82E+04 1.14E+04 1.38E+04 1.74E+04 1.1E+04 5.01E+04 3.58E+03 1.4E+04 2.18E+04 1.38E+04 7.75E+03 2.35E+04 1.54E+04 1.13E+05 1.04E+04 6.83E+04 Methyl acetyl ricinoleate 1.17E+06 5.78E+05 6.54E+05 4.93E+05 7.4E+05 3.95E+05 3.01E+05 5.77E+04 3.35E+05 1.02E+06 2.44E+05 1.14E+06 1.17E+05 1.02E+06 2.08E+05 5.54E+05 1.09E+06 9.14E+05 2.18E+05 2.44E+05 8.77E+05 1.49E+06 2.3E+05 2.54E+05 5.62E+04 9.34E+05 1.03E+06 5.88E+05 3.82E+05 1.06E+06 5.35E+05 7.45E+05 6.65E+05 1.12E+06 2.59E+05 7.25E+05 4.2E+05 2.81E+06 2.66E+06 1.77E+05 1.24E+06 4.65E+05 8.02E+05 2.26E+05 5.96E+05 2.17E+06 3.48E+06 9.98E+05 6.08E+05 1.07E+06 1.12E+06 METHYL INDOLE-3-ACETATE 1.43E+07 1.59E+07 4.34E+07 2.89E+06 2.24E+05 9.46E+06 4.71E+05 6.98E+06 4.22E+06 1.25E+06 1.21E+07 6.8E+06 1.1E+07 1.86E+06 3.43E+06 3.98E+06 1.29E+05 1.22E+07 7.31E+06 9.18E+06 2.09E+06 3.68E+07 6.2E+06 1.79E+07 1.73E+07 5.38E+05 5.82E+05 1.67E+07 1.97E+07 4.44E+05 2.01E+05 1.15E+07 1.95E+07 1.03E+07 4.05E+04 1.78E+07 2.46E+07 6.01E+06 1.07E+07 2.56E+06 2.63E+07 8.02E+06 8.91E+05 1.04E+07 1.34E+07 9.9E+06 6.28E+07 1.51E+07 1.27E+07 2.86E+06 3.22E+06 Methyleugenol_1 2.51E+06 1.28E+06 1.62E+06 1.37E+06 1.88E+06 1.29E+06 1.93E+06 1.5E+06 1.38E+06 1.95E+06 1.44E+06 1.33E+06 1.86E+06 1.71E+06 1.36E+06 1.61E+06 1.44E+06 1.93E+06 1.23E+06 1.18E+06 1.71E+06 1.94E+06 1.79E+06 1.89E+06 1.83E+06 1.08E+06 1.41E+06 1.22E+06 1.32E+06 1.21E+06 1.39E+06 2.13E+06 1.36E+06 2.02E+06 1.16E+06 1.21E+06 1.94E+06 2.55E+06 1.26E+06 1.36E+06 1.33E+06 1.65E+06 1.76E+06 1.67E+06 1.78E+06 1.91E+06 2.66E+06 1.92E+06 1.49E+06 1.42E+06 1.91E+06 Methyleugenol_2 8.75E+05 7.46E+05 9.27E+05 7.14E+05 8.05E+05 7.67E+05 8.07E+05 8.62E+05 7.03E+05 1.02E+06 7.66E+05 7E+05 9.34E+05 9.18E+05 7.75E+05 8.08E+05 7.05E+05 9.54E+05 7.85E+05 8.13E+05 9.42E+05 8.12E+05 9.93E+05 1.01E+06 1E+06 7.54E+05 7.04E+05 8.39E+05 7.95E+05 7.39E+05 7.24E+05 1.1E+06 1.16E+06 1.17E+06 1.16E+06 1.03E+06 1.44E+06 1.35E+06 8.92E+05 1.23E+06 1.12E+06 1.62E+06 1.59E+06 1.54E+06 1.35E+06 1.31E+06 7.6E+05 1.25E+06 8.95E+05 8.16E+05 9.02E+05 Methyleugenol_3 2.13E+05 1.93E+05 2.24E+05 2.17E+05 1.24E+05 2.29E+05 2.42E+05 1.18E+05 2.1E+05 2.44E+05 1.63E+05 2.26E+05 2.5E+05 2.35E+05 1.96E+05 2.27E+05 1.86E+05 1.45E+05 2.37E+05 2.18E+05 2.34E+05 2.65E+05 1.48E+05 1.43E+05 2.22E+05 2.43E+05 2.12E+05 2.17E+05 2.07E+05 2.43E+05 1.99E+05 1.46E+05 2.44E+05 2.49E+05 2.54E+05 2.63E+05 2.21E+05 2.37E+05 3.26E+05 2.55E+05 2.17E+05 2.93E+05 1.36E+05 2.31E+05 2.26E+05 2.71E+05 2.56E+05 2E+05 2.22E+05 2.53E+05 2.07E+05 Methyleugenol_4 1.95E+05 1.66E+05 1.55E+05 1.57E+05 1.2E+05 1.56E+05 1.48E+05 1.35E+05 9.5E+04 1.54E+05 1.3E+05 1.28E+05 1.58E+05 1.39E+05 1.71E+05 1.46E+05 1.63E+05 7.38E+04 1.29E+05 1.63E+05 1.19E+05 1.22E+05 8.74E+04 1.55E+05 1.47E+05 1.44E+05 1.09E+05 1.68E+05 1.5E+05 1.38E+05 1.41E+05 1.68E+05 1.34E+05 1.32E+05 1.55E+05 1.17E+05 7.74E+04 1.59E+05 1.32E+05 1.77E+05 1.76E+05 1.55E+05 1.36E+05 1.46E+05 1.63E+05 1.67E+05 1.5E+05 1.51E+05 1.7E+05 1.31E+05 1.25E+05 Methylguanidine 4.03E+05 0 1.36E+06 2.01E+03 8.5E+05 2.01E+04 4.59E+04 7.66E+05 1.46E+06 1.51E+06 2.34E+06 1.54E+03 3.17E+03 1.95E+05 2E+05 2.4E+06 1.3E+06 5.24E+05 4E+05 1.43E+06 4E+05 1.96E+05 5.79E+05 1.23E+04 1.7E+06 6.64E+05 1.15E+06 1.2E+03 6.61E+05 1.2E+05 8.28E+04 8.82E+04 1.13E+06 4.13E+05 1.22E+06 9.33E+05 5.56E+05 9.57E+05 8.15E+05 3.24E+05 4.07E+05 4.81E+04 7.45E+05 3.64E+03 1.28E+05 1.81E+06 8.49E+05 1.26E+06 1.32E+05 6.3E+05 2.29E+04 Methylimidazoleacetic acid_1 2.61E+06 1.65E+06 2.74E+06 1.27E+07 9.37E+06 1.59E+07 5.99E+06 1.54E+06 2.35E+06 1.13E+07 1.39E+06 9.92E+05 4.35E+06 5.88E+06 7.2E+06 1.36E+06 6.99E+06 1.33E+07 9.1E+05 1.89E+06 2.13E+07 1.63E+06 6.35E+06 2.06E+06 2.26E+06 7.19E+06 1.06E+06 5.4E+06 1.02E+06 3.68E+06 7.26E+05 6.92E+06 6.53E+06 5.57E+06 1.09E+07 1.02E+06 8.27E+06 2.67E+06 4.06E+06 8.66E+06 1.3E+06 1.47E+07 7.16E+06 6.13E+05 2.11E+06 2.21E+06 2.13E+06 5.38E+05 1.09E+07 7.32E+06 1.2E+07 Methylimidazoleacetic acid_2 1.05E+06 1.27E+06 1.84E+06 8.56E+05 7.43E+05 1.28E+06 1.52E+06 8.23E+05 1.29E+06 6.56E+05 6.97E+05 1.19E+06 8.94E+05 1.28E+06 1.22E+06 1.66E+06 8.03E+05 1.17E+06 7.98E+05 4.42E+05 1.34E+06 1E+06 1.96E+06 9.78E+05 7.85E+05 8.3E+05 7.67E+05 5.06E+05 9.35E+05 1.17E+06 1.02E+06 6.44E+05 1.67E+06 1.82E+06 5.59E+05 4.9E+05 5.47E+05 5.52E+05 5.88E+05 5.54E+05 9.79E+05 9.16E+05 9.61E+05 1.23E+06 5.13E+05 8.84E+05 1.05E+06 8.16E+05 1E+06 9.59E+05 1.59E+06 Methylimidazoleacetic acid_3 2.99E+05 2.05E+05 1.77E+05 3.36E+05 6.85E+05 1.72E+05 1.7E+05 1.09E+05 1.93E+05 2.83E+05 1.32E+05 3.01E+05 2.34E+05 4.24E+05 2.83E+05 2.02E+05 4.62E+05 1.36E+05 1.36E+05 1.35E+05 3.32E+05 1.86E+05 4.11E+05 2.75E+05 6.15E+04 2.22E+05 1.6E+05 4.62E+05 1.52E+05 4.22E+05 3.45E+05 9.84E+04 2.15E+05 3.85E+05 3.2E+05 4.34E+05 2.1E+05 3E+05 3.26E+05 4.53E+05 3.45E+05 2.32E+05 6.41E+04 2.68E+05 2.31E+05 2.83E+05 1.93E+05 2.77E+05 5.08E+05 2.44E+05 4.76E+05 Metipranolol 3.32E+05 0 0 0 0 0 0 0 0 0 0 0 0 3.02E+05 3.38E+05 0 4.36E+04 0 0 0 0 5.36E+05 0 5.16E+04 0 0 0 0 0 3.7E+05 5.57E+05 0 0 0 8.42E+04 0 0 2.15E+04 0 0 2.36E+05 0 0 9.73E+04 3.02E+05 0 0 0 0 0 7.05E+05 Monodehydroascorbate 1.31E+06 2.13E+06 1.43E+06 2.21E+06 2.18E+06 1.64E+06 1.63E+06 1.91E+06 1.26E+06 1.75E+06 1.89E+06 1.98E+06 1.54E+06 2.2E+06 2.01E+06 1.31E+06 2.11E+06 1.25E+06 1.62E+06 2.14E+06 1.68E+06 1.87E+06 1.46E+06 7.27E+05 1.93E+06 2.05E+06 2.08E+06 1.54E+06 9.25E+05 1.55E+06 1.72E+06 2.35E+06 1.41E+06 1.9E+06 2.34E+06 1.46E+06 1.85E+06 2.4E+06 2.76E+06 2.26E+06 2.18E+06 1.84E+06 1.55E+06 1.59E+06 1.7E+06 1.94E+06 1.86E+06 1.59E+06 2.27E+06 1.72E+06 1.84E+06 Montanin A 9.61E+05 4.64E+05 5.26E+05 4.59E+05 6.98E+05 6.16E+05 3.54E+05 5.72E+05 7.47E+05 8.49E+05 6.7E+05 5.48E+05 5.55E+05 5.8E+05 5.75E+05 7.79E+05 7.31E+05 6.99E+05 5.23E+05 7.14E+05 5.45E+05 1.13E+06 5.64E+05 6.71E+05 6.69E+05 5.86E+05 6.18E+05 4.34E+05 6.17E+05 4.5E+05 8.04E+05 6.44E+05 5.68E+05 5.81E+05 5.91E+05 7.59E+05 7.59E+05 7.24E+05 6.85E+05 5.3E+05 6.3E+05 4.48E+05 5.81E+05 5.01E+05 4.61E+05 8.36E+05 9.14E+06 5.82E+05 5.15E+05 7.24E+05 6.14E+05 Morphine 2.07E+07 1.24E+06 2.31E+07 1.36E+07 3.01E+07 5.42E+07 1.67E+06 9.91E+06 2.62E+07 3.24E+07 9.11E+05 1.04E+06 3E+07 6.32E+06 1.49E+07 2.68E+07 2.27E+07 1.17E+07 3.5E+06 4.17E+06 7.67E+06 2.65E+07 3.02E+07 1.52E+07 1.01E+07 1.1E+06 2.24E+06 4.76E+07 5.85E+06 1.2E+07 1.63E+07 6.22E+06 9.23E+06 1.13E+07 6.39E+07 2.55E+07 3.95E+07 3.02E+07 3.32E+07 3.51E+07 1.56E+05 2.2E+06 1.01E+07 3.78E+06 3.66E+07 2.77E+06 2.41E+06 4.31E+05 5.55E+07 2.35E+07 2.03E+07 Murrayanine 0 0 0 0 0 0 0 0 1.02E+07 0 0 0 0 0 0 1.05E+06 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2.23E+03 0 0 0 0 0 0 4.75E+03 0 0 0 0 0 0 Myxalamid A 3.38E+05 1.37E+06 8.2E+05 2.9E+06 8.59E+03 8.77E+05 5.87E+05 5.67E+03 4.88E+04 1.31E+06 2.63E+05 1.02E+06 1.77E+05 6.94E+05 9.46E+03 3.65E+03 5.7E+04 1.39E+06 2.9E+03 1.17E+05 1.17E+06 5.41E+06 1.43E+06 7.48E+05 4.14E+05 8.18E+05 4.43E+04 3.06E+05 1.49E+06 1.11E+06 1.76E+03 7.69E+05 1.8E+05 1.75E+05 4.59E+03 2.75E+05 8.99E+05 4.59E+06 1.15E+06 3.94E+04 2.62E+06 6.98E+05 4.37E+05 1.3E+06 1.04E+05 9.18E+05 2.16E+06 1.4E+06 1.44E+04 4.19E+05 4.6E+05 N-(2-Methoxyphenyl)-N'-(2-naphtyl)urea 0 0 0 0 0 0 0 0 1.19E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-(6-Aminohexanoyl)-6-aminohexanoate 9.38E+05 2.85E+06 6.02E+05 1.37E+06 8.68E+05 5.96E+05 2.16E+06 1.8E+06 5.01E+05 5.65E+05 9.49E+05 2.26E+06 4.96E+05 7.25E+05 7.08E+05 5.1E+05 7.9E+05 7.97E+05 1.58E+06 5.95E+05 4.34E+05 1.02E+06 9.22E+05 4.98E+05 4.54E+05 4.44E+05 6.04E+05 1.8E+06 4.17E+05 6.82E+05 6.45E+05 5.57E+05 4.88E+05 3.43E+05 5.07E+05 3.68E+05 1.12E+06 4.15E+05 2.78E+05 5.21E+05 8.42E+05 1.55E+06 3.84E+05 4.62E+05 5.19E+05 5.18E+05 6.89E+05 4.04E+05 4.4E+05 5.8E+05 2.84E+06 N-(Acetyloxy)benzenamine_1 9.29E+06 7.17E+05 3.38E+05 3.09E+05 1.09E+05 2.97E+05 2.74E+05 2.17E+05 1.66E+05 2.03E+05 6.46E+04 2.63E+05 6.3E+04 1.62E+05 1.12E+05 2.68E+05 1.58E+05 3.64E+04 4.24E+05 1.99E+05 1.78E+05 8.83E+04 3.99E+04 2.19E+05 2.97E+04 3.24E+05 1.4E+05 1.33E+06 2.03E+05 1.99E+05 2.48E+05 4.34E+04 4.93E+04 1.44E+05 2.18E+05 4.22E+05 1.13E+05 1.03E+05 2.71E+05 1.47E+05 1.58E+05 2.01E+05 1.82E+05 1.15E+05 1.04E+05 1.27E+04 9.37E+04 5.81E+04 1.69E+05 2.53E+05 2.38E+05 N-(Acetyloxy)benzenamine_2 5.2E+07 4.56E+06 4.33E+04 6.51E+04 7.09E+04 6.95E+04 9.63E+04 3.12E+04 4.3E+05 3.13E+04 1.29E+05 7.64E+04 4.4E+04 1.03E+05 1.03E+05 1.97E+06 4.72E+04 7.1E+04 7.74E+04 1.39E+04 8.25E+04 2.96E+05 6.64E+04 7.78E+05 1.99E+05 6.94E+04 4.3E+05 6.61E+06 1E+05 6.73E+04 2.16E+06 1.34E+05 6.34E+04 6.38E+03 8.61E+04 1.46E+05 1.74E+04 2.04E+04 7.9E+04 5.1E+04 1.85E+04 1.96E+04 1.77E+04 7.28E+04 2.81E+04 2.77E+04 8.55E+04 5.41E+04 5.03E+04 8.39E+03 7.59E+04 N(PAI)-METHYL-L-HISTIDINE 7.38E+07 4.26E+07 7.6E+07 6.36E+07 6.07E+07 1.02E+08 7.07E+07 2.98E+07 4.87E+07 6.54E+07 3.68E+07 4.15E+07 4.66E+07 5.16E+07 5.48E+07 3.6E+07 5.07E+07 8.77E+07 4.65E+07 4.14E+07 1.08E+08 3.86E+07 6.01E+07 3.37E+07 3.34E+07 5.84E+07 4.41E+07 4.81E+07 4.88E+07 3.53E+07 4.53E+07 6.12E+07 6E+07 5.68E+07 6.09E+07 3.74E+07 4.54E+07 4.45E+07 6.36E+07 1.05E+08 3.76E+07 8.24E+07 5.16E+07 3.88E+07 4.29E+07 2.65E+07 4.62E+07 3.8E+07 6.69E+07 4.78E+07 1.26E+08 N,N'-Diacetylhydrazine 1.05E+07 3.58E+06 4.98E+06 2.82E+06 3.38E+06 3.16E+06 1.67E+07 4.05E+06 4.5E+06 1E+06 6.33E+06 2.54E+06 2.09E+06 1.91E+06 1.42E+06 2.19E+06 1.97E+06 2.32E+06 6.89E+06 1.85E+06 1.24E+07 1.3E+07 3.69E+05 7.12E+06 6.19E+06 2.43E+06 1.84E+06 3.23E+06 2.72E+06 1.63E+06 1.96E+06 1.4E+06 1.86E+06 5.01E+06 1.34E+06 2.54E+05 6.39E+06 7.02E+06 8.66E+05 1.47E+06 1.51E+06 5.66E+06 1.59E+07 1.73E+06 1.48E+07 3.41E+06 2.47E+06 1.76E+06 5.36E+06 1.8E+06 1.39E+07 N,N-Dimethylhistidine 7.63E+05 1.35E+05 2.07E+06 9.49E+04 2.68E+05 2.34E+05 1.95E+06 1.43E+05 4.33E+05 7.19E+05 9.06E+04 4.73E+04 1.75E+07 1.4E+05 5.83E+05 3.5E+05 4.73E+05 4.04E+05 4.54E+05 4.02E+05 2.36E+05 4.36E+05 7.84E+05 2.47E+06 8.43E+04 9.14E+04 4.75E+05 2.73E+04 1.2E+05 4.42E+05 5.99E+05 9.63E+05 1.85E+06 5.46E+05 5.34E+05 3.75E+05 1.43E+06 8.52E+05 9.89E+04 1.65E+05 8.93E+05 9.95E+06 2.33E+05 1.32E+05 3.55E+05 1.36E+06 1.01E+06 6.11E+05 1.99E+05 4.12E+05 1.75E+05 N1-Acetylspermidine 1.55E+06 6.39E+05 4.15E+05 5.17E+05 6.57E+05 1.6E+06 1.34E+06 4.16E+05 8.92E+05 3.78E+05 7.68E+05 9.65E+05 5.58E+05 4.44E+05 1.24E+06 8.12E+05 8.42E+05 1.07E+06 6.06E+05 6.27E+05 4.24E+05 3.74E+05 1.22E+06 9.75E+05 1.03E+06 1.17E+06 6.33E+05 7E+05 6.08E+05 4.62E+05 4.17E+05 1.84E+06 1.06E+06 5.36E+05 5.99E+05 3.89E+05 8.63E+05 3.72E+05 6.9E+05 5.46E+05 9.29E+05 1.06E+06 7.93E+05 2.12E+06 4.39E+05 6.53E+05 8.97E+05 1.42E+06 8.55E+05 3.45E+05 3.78E+05 N1-Methyl-2-pyridone-5-carboxamide 2.98E+07 1.48E+07 3.06E+07 1.23E+07 1.17E+07 1.66E+07 1.62E+07 9.75E+06 1.64E+07 3.25E+07 1.77E+07 1.51E+07 9.21E+06 3.3E+07 1.21E+07 1.29E+07 2.64E+07 2.8E+07 2.2E+07 9.45E+06 1.28E+07 6.42E+06 7.68E+06 7.72E+06 1.81E+07 2.93E+07 1.43E+07 9.96E+06 1.63E+07 2.47E+07 2.51E+07 2.88E+07 1.17E+07 2.32E+07 1.55E+07 1.81E+07 1.05E+07 1.65E+07 2.04E+07 2.61E+07 8.07E+06 2.83E+07 2.37E+07 2.68E+07 1.11E+07 1.03E+07 2.44E+07 1.66E+07 2.08E+07 3.31E+07 3.41E+07 N2-Acetyl-L-aminoadipate 1.18E+05 2.37E+05 5.26E+05 1.11E+05 2.45E+04 3.29E+04 2.55E+05 1.83E+05 1.21E+05 2.04E+05 3.04E+05 2.16E+05 1.41E+05 1.77E+05 3.39E+05 3.33E+05 9.34E+04 1.51E+05 1.39E+05 5.57E+04 1.39E+05 1.39E+05 3.28E+05 2E+05 3.21E+04 1.3E+05 2.02E+05 2.52E+05 1.43E+05 4.45E+05 4.12E+05 6.12E+04 2.76E+05 1.53E+05 3.85E+04 1.08E+05 1.41E+05 1.11E+05 2.58E+04 2E+05 2.84E+05 5.52E+04 4.61E+04 3.37E+05 8.47E+04 2.37E+05 2.49E+05 1.1E+05 7.42E+04 3.66E+05 9.81E+04 N5-Phenyl-L-glutamine_1 1.5E+07 2.92E+06 3.83E+05 1.04E+07 3.92E+06 9.55E+06 2.67E+06 2.32E+06 5.97E+05 1E+07 1.55E+07 9.72E+06 9.26E+06 2.37E+06 4.55E+05 4.93E+04 3.5E+06 3.96E+06 1.07E+07 7.11E+06 1.01E+07 7.76E+06 7.3E+06 6.31E+06 1.02E+07 9.83E+04 4.26E+06 2.37E+06 7.18E+06 1.04E+05 5.25E+06 9.91E+06 2.72E+06 1.29E+05 5.71E+06 9.92E+03 7.69E+06 7.8E+06 1.14E+05 9.79E+06 5.75E+06 3.2E+06 6.9E+05 5.07E+04 8.26E+06 5.38E+06 1.03E+07 6.77E+06 6.29E+05 1.66E+04 1.39E+07 N5-Phenyl-L-glutamine_2 1.99E+06 4.45E+05 4.45E+05 4.54E+05 1.86E+05 2.82E+05 2.99E+06 3.41E+05 2.97E+05 1.64E+05 3.92E+05 3.98E+05 1.6E+05 1.6E+05 2.32E+05 2.15E+05 9.11E+04 3.44E+05 5.83E+05 1.03E+05 1.01E+06 8.11E+05 2.59E+05 7.89E+05 2.29E+05 2.62E+05 1.97E+05 3.7E+05 1.57E+05 1.84E+05 1.79E+05 9.74E+04 2.32E+05 8.78E+05 1.41E+05 1.83E+05 4.51E+05 7.04E+05 1.47E+05 8.72E+04 7.28E+04 9.39E+05 2.07E+06 2.18E+05 8.83E+05 1.43E+05 3.17E+05 2.57E+05 5.64E+05 2.79E+05 1.46E+06 N6-(delta2-Isopentenyl)-adenine 3.43E+08 3.56E+08 2.77E+08 2.91E+08 2.79E+08 2.58E+08 4.3E+08 2.43E+08 2.73E+08 2.89E+08 2.71E+08 3.73E+08 7.29E+08 2.57E+08 3.35E+08 2.39E+08 2.76E+08 3.01E+08 2.79E+08 3.33E+08 1.94E+08 2.5E+08 2.83E+08 1.9E+08 2.05E+08 3.68E+08 3.51E+08 2.11E+08 2.22E+08 2.01E+08 4.76E+08 2.59E+08 2.56E+08 3.02E+08 3.69E+08 2.66E+08 1.84E+08 1.4E+08 4.21E+08 2.46E+08 2.65E+08 5.25E+08 1.74E+08 1.87E+08 2.32E+08 1.75E+08 4.25E+08 2.97E+08 2.41E+08 2.75E+08 3.23E+08 N6-Acetyl-N6-hydroxy-L-lysine 1.19E+07 1.61E+07 3.51E+07 1.59E+07 1.79E+07 1.36E+07 2.14E+07 1.63E+07 2.15E+07 2.58E+07 3.34E+07 1.12E+07 1.74E+07 2.63E+07 2.66E+07 2.67E+07 1.99E+07 2.42E+07 1.33E+07 1.38E+07 1.07E+07 7.53E+06 2.49E+07 1.03E+07 1.4E+07 1.34E+07 2.12E+07 1.09E+07 1.39E+07 2.67E+07 2.2E+07 2.34E+07 3.25E+07 1.34E+07 1.45E+07 1.38E+07 7.7E+06 1.21E+07 1.63E+07 1.25E+07 2.57E+07 9.77E+06 8.89E+06 2.82E+07 6.91E+06 2.48E+07 2.78E+07 2.01E+07 9.66E+06 1.61E+07 9.59E+06 N6-Methyl-L-lysine 1.33E+06 4.82E+05 8.3E+05 5.69E+05 4.71E+05 8.46E+05 1.24E+06 3.96E+05 1.02E+06 4.18E+05 1.2E+06 2.55E+06 3.57E+05 5.92E+05 9.62E+05 8.42E+05 6.09E+05 1.55E+06 5.09E+05 9.31E+05 4.17E+05 4.89E+05 4.71E+05 3.79E+05 2.68E+06 1.72E+06 3.17E+05 5.33E+05 7.86E+05 5.13E+05 3.71E+05 1.51E+06 1.14E+06 4.13E+05 5.26E+05 7.56E+05 3.47E+05 6.34E+05 5.39E+05 7.19E+05 2.19E+06 2.92E+05 9.14E+05 1.38E+06 3.86E+05 5.06E+05 1.46E+06 3.67E+06 8.65E+05 2.69E+05 8.61E+05 N-Acetoxy-4-aminobiphenyl 0 0 0 1.3E+03 0 0 0 0 0 0 1.34E+03 1.2E+03 0 0 0 0 0 0 0 1.12E+03 0 0 0 0 1.46E+03 0 0 0 0 0 0 0 0 3.36E+03 1.31E+03 0 0 0 0 0 0 0 0 1.13E+03 0 2.95E+03 0 0 911 0 1.42E+03 N-ACETYL-D-GALACTOSAMINE 3.28E+06 1.82E+06 2.12E+06 1.77E+06 1.1E+06 1.94E+06 2.04E+06 9.41E+05 1.03E+06 1.09E+06 1.89E+06 9.84E+05 9.45E+05 3.16E+06 2.49E+06 8.92E+05 1.04E+06 9.23E+05 1.84E+06 1.49E+06 8.71E+05 1.94E+06 7.65E+05 1.87E+06 9.41E+05 1.89E+06 8.11E+05 1.49E+06 1.02E+06 3.24E+06 2.5E+06 2.41E+06 1.41E+06 7.26E+05 2.04E+06 1.57E+06 1.53E+06 1.74E+06 8.64E+05 1.75E+06 1.79E+06 1.45E+06 7E+05 1.42E+06 1.84E+06 1.7E+06 2.5E+06 6.86E+05 7.64E+05 7.52E+05 2.91E+06 N-Acetyl-D-tryptophan 2.01E+06 3.08E+05 3.4E+05 1.67E+05 2.28E+05 2.24E+05 2.99E+05 1.62E+05 2.19E+05 1.32E+05 1.31E+05 3.25E+05 2.17E+05 3.87E+06 1.1E+06 1.37E+05 4.48E+05 9.54E+04 2.3E+05 2.81E+05 1.75E+05 1.34E+06 1.35E+05 6.84E+05 1.38E+05 2.05E+05 1.75E+05 1.66E+05 1.69E+05 4.13E+06 2.12E+06 1.08E+05 7.26E+04 2.98E+05 1.38E+06 2.36E+05 2.68E+05 2.71E+05 1.93E+05 2.83E+05 8.69E+05 4.1E+05 1.95E+05 3.49E+05 2.34E+06 1.55E+05 2.04E+05 1.3E+05 2.31E+05 1.7E+05 2.5E+06 N-ACETYLGLYCINE 6.84E+06 4.34E+06 5.38E+06 6.76E+06 4.44E+06 6.58E+06 1E+07 2.38E+06 5.63E+06 4.66E+06 7.49E+06 3.46E+06 8.78E+06 4.54E+06 3.21E+06 4.61E+06 4.45E+06 5E+06 5.27E+06 4.08E+06 5.35E+06 7.17E+06 5.48E+06 4.2E+06 1.04E+07 1.01E+07 2.86E+06 3.29E+06 4.84E+06 3.84E+06 3.2E+06 7.08E+06 6.14E+06 3.98E+06 3.01E+06 3.28E+06 3.12E+06 5.69E+06 4.12E+06 4.41E+06 4.06E+06 5.77E+06 6.95E+06 3.32E+06 7.1E+06 5.2E+06 8.6E+06 2.21E+06 4.9E+06 2.89E+06 4.41E+06 N-Acetylimidazole_1 4.3E+06 3.63E+06 1.71E+06 3.99E+06 2.18E+06 2.41E+06 3.96E+06 1.54E+06 3.41E+06 2.47E+06 3.5E+06 3.49E+06 1.7E+06 1.84E+06 8.53E+05 3.1E+06 1.52E+06 1.5E+06 4.72E+06 2.11E+06 7.4E+06 5.71E+06 1.76E+06 7.41E+06 3.08E+06 1.35E+06 2.9E+06 4.65E+06 1.67E+06 1.65E+06 1.48E+06 5.96E+05 9.88E+05 4.04E+06 1.21E+06 4.01E+06 5.75E+06 5.45E+06 1.08E+06 4.16E+06 1.05E+06 5.31E+06 3.98E+06 1.35E+06 6.19E+06 3.39E+06 1.53E+06 7.35E+05 3.94E+06 2.04E+06 6.46E+06 N-Acetylimidazole_2 7.06E+05 1.17E+06 1.17E+06 7.29E+05 5.02E+05 1.01E+06 1.06E+06 8.39E+05 9.31E+05 4.69E+05 9.16E+05 8.88E+05 8.86E+05 1.22E+06 1.07E+06 1.3E+06 7.66E+05 1.07E+06 5.63E+05 5.35E+05 9.14E+05 1.03E+06 1.54E+06 9.84E+05 9.45E+05 8.27E+05 6.87E+05 4.59E+05 7.89E+05 9.61E+05 8.31E+05 5.95E+05 1.44E+06 1.47E+06 6.63E+05 2.63E+05 5.91E+05 5.64E+05 5.57E+05 5.42E+05 1E+06 9E+05 9.39E+05 9.51E+05 2.94E+05 8.88E+05 9.86E+05 8.09E+05 8.78E+05 7.71E+05 1E+06 N-ACETYL-L-ALANINE 4.99E+06 3.57E+06 2.75E+06 3.05E+06 3.52E+06 4.28E+06 3.87E+06 1.97E+06 3.45E+06 3.17E+06 3.01E+06 3.32E+06 4.37E+06 4E+06 2.9E+06 2.89E+06 3.84E+06 2.79E+06 3.66E+06 2.94E+06 3.52E+06 3.56E+06 3.41E+06 3.53E+06 7.94E+05 3.72E+06 2.67E+06 2.97E+06 4.02E+06 3.87E+06 3.72E+06 3.28E+06 3.38E+06 3.36E+06 3.87E+06 2.98E+06 2.75E+06 2.96E+06 3.69E+06 3.74E+06 3.08E+06 4.28E+06 2.81E+06 2.56E+06 3.4E+06 2.64E+06 4.24E+06 4.89E+05 3.04E+06 2.49E+06 5.82E+06 N-Acetyl-L-citrulline 4.39E+05 1.2E+06 4.44E+06 1.07E+06 1.6E+06 1.99E+06 6.91E+05 1.51E+06 1.63E+06 1.08E+06 2.47E+05 3.76E+06 1.4E+06 1.84E+06 9.23E+05 1.32E+06 1.12E+06 1.15E+05 7.71E+05 8.76E+05 6.91E+05 5.28E+05 3.03E+05 8.74E+05 2.06E+03 9.88E+05 1E+06 1.37E+06 1.11E+06 1.42E+06 1.08E+06 5.99E+03 5.08E+05 3.21E+05 4.15E+05 1.23E+06 1.1E+06 1.43E+05 4.97E+05 1.32E+06 2.96E+06 2.7E+05 5.58E+05 3.77E+05 4.87E+05 3.99E+05 6.83E+05 7.83E+04 7.32E+05 1.64E+06 1.31E+06 N-Acetyl-L-leucine_1 2.4E+06 7.11E+05 8.49E+05 8.37E+05 1.5E+06 9.24E+05 1.13E+06 9.88E+05 8.34E+05 9.73E+05 7.23E+05 7.7E+05 1.19E+06 3.47E+06 9.98E+05 7.91E+05 1.67E+06 1.68E+06 7.72E+05 7.73E+05 9.62E+05 1.06E+06 1.07E+06 1.09E+06 1.52E+06 8.22E+05 8.86E+05 7.58E+05 8.49E+05 4.46E+06 2.32E+06 1.64E+06 1.22E+06 8.69E+05 1.46E+06 1.42E+06 9.07E+05 1.01E+06 1.47E+06 1.03E+06 9.79E+05 1.81E+06 6.07E+05 1.28E+06 1.61E+06 8.12E+05 1.33E+06 1.96E+06 8.54E+05 6.77E+05 2.62E+06 N-Acetyl-L-leucine_2 6.73E+05 2.29E+06 1.52E+06 2.18E+06 8.03E+03 1.19E+06 2.89E+06 1.5E+06 5.93E+05 1.47E+06 2.03E+05 1.26E+06 3.12E+05 1.38E+06 2.26E+06 4.16E+05 3.06E+03 2.53E+06 2.56E+05 1.16E+04 8.08E+05 5.18E+05 1.38E+06 5.95E+05 9.6E+05 4.16E+04 6.42E+03 2.68E+05 5.84E+05 1.65E+04 1.2E+06 1.14E+06 1.44E+06 7.63E+05 5.66E+03 7.73E+04 3.3E+03 8.25E+03 9.64E+03 3.11E+03 7.26E+05 4.52E+04 8.13E+05 1.83E+06 5.11E+04 6.58E+05 6.62E+05 1.4E+06 3.86E+04 8.07E+05 1.26E+06 N-Acetyl-L-leucine_3 3.23E+04 1.34E+05 5.23E+05 1.95E+05 6.79E+04 5.62E+05 2.18E+04 3.16E+05 4.77E+05 4.59E+05 2.29E+04 9.15E+04 5.97E+05 1.12E+05 4.45E+05 4.72E+05 3.17E+05 4.18E+05 7.63E+04 4.11E+05 5.5E+04 2.69E+05 6.7E+05 9.63E+04 8.31E+03 7.04E+04 8.15E+05 1.53E+06 1.25E+05 1.79E+05 1.13E+06 2.37E+05 4.03E+05 2.93E+04 9.43E+05 1.66E+06 7.03E+04 2.04E+05 2.34E+05 3.57E+04 2.46E+05 3.44E+05 2.06E+04 1.43E+06 2.64E+05 3.01E+04 4.03E+03 2.33E+05 4.25E+05 1.9E+05 7.24E+04 N-Acetyl-L-leucine_4 1.9E+05 1.7E+05 2.51E+05 2.93E+05 1.43E+05 1.71E+05 5.76E+04 1.8E+05 1.82E+05 1.99E+05 1.65E+05 1.62E+05 1.24E+05 1.14E+05 1.9E+05 1.84E+05 1.76E+05 2.28E+05 1.81E+05 1.67E+05 8.76E+04 1.02E+05 2.18E+05 1.36E+05 2.64E+05 1.56E+05 1.3E+05 1.59E+05 1.74E+05 2.27E+05 2.45E+05 2.07E+05 2.11E+05 9.32E+04 1.85E+05 1.65E+05 1.02E+05 1.51E+05 1.24E+05 1.64E+05 2.2E+05 1.1E+04 2.25E+05 2.23E+05 7.55E+04 2.27E+05 2.36E+05 2.5E+05 2.47E+05 2.14E+05 1.51E+05 N-Acetyl-L-leucine_5 2.06E+05 9.21E+04 1.24E+05 2.25E+05 2.27E+05 1.8E+05 2.12E+05 1.49E+05 1.98E+05 2.25E+05 1.57E+05 1.81E+05 1.74E+05 4.89E+04 1.8E+05 1.16E+05 1.21E+05 1.88E+05 1.69E+05 1.19E+05 1.98E+05 7.16E+04 1.62E+05 1.5E+05 2.02E+05 1.16E+05 8.65E+04 1.82E+05 1.54E+05 6.09E+04 2.29E+05 1.19E+05 1.97E+05 9.62E+04 1.1E+05 1.86E+05 8.32E+04 2.01E+05 1.27E+05 1.16E+05 1.77E+05 8.67E+04 1.37E+05 1.86E+05 1.84E+05 1.38E+05 2.62E+05 1.58E+05 1.55E+05 1.56E+05 2.21E+05 N-Acetyl-L-phenylalanine 2.43E+06 4.48E+05 7.36E+05 2.96E+05 5.13E+05 4.86E+05 4.09E+05 3.39E+05 3.8E+05 2.28E+05 2.83E+05 3.2E+05 5.46E+05 5.01E+06 1.38E+06 2.45E+05 7.85E+05 2.33E+05 3.64E+05 4.06E+05 3.51E+05 1.6E+06 3.19E+05 9.22E+05 3.03E+05 3.27E+05 3.48E+05 2.51E+05 3.09E+05 6.49E+06 2.7E+06 1.88E+05 6.74E+04 4.59E+05 1.5E+06 4.4E+05 3.98E+05 3.73E+05 4.01E+05 4.13E+05 1.34E+06 8.42E+05 2.58E+05 5.68E+05 2.68E+06 3.4E+05 3.95E+05 1.29E+05 3.21E+05 2.68E+05 2.94E+06 N-Acetylmethionine 0 8.49E+05 0 6.53E+03 0 1.25E+04 2.08E+04 0 1.66E+04 0 2.31E+03 0 7.38E+03 6.66E+03 5.95E+03 8.42E+03 1.09E+04 5.04E+03 9.15E+03 1.97E+04 0 2.4E+04 4.73E+04 0 2.18E+03 5.31E+03 3.87E+03 6.4E+04 1.12E+03 0 1.69E+06 0 2.86E+05 2.45E+04 2.81E+04 1.46E+05 0 1.44E+04 1.91E+03 1.18E+04 0 5.25E+04 0 0 2.84E+03 0 1.63E+03 0 1.57E+05 1.48E+04 1.06E+04 N-Acetylornithine_1 2.18E+07 1.23E+07 2.71E+07 1.86E+07 1.92E+07 1.3E+07 1.3E+07 1.54E+07 2.66E+07 2.46E+07 3.28E+07 2.1E+07 1.18E+07 1.43E+07 2.17E+07 2.59E+07 2.17E+07 2.58E+07 1.98E+07 1.76E+07 1.93E+07 1.39E+07 1.23E+07 1.58E+07 1.94E+07 1.43E+07 2.8E+07 1.71E+07 1.56E+07 2.36E+07 1.59E+07 2.26E+07 3.04E+07 1.69E+07 1.76E+07 1.54E+07 1.32E+07 1.65E+07 1.48E+07 2.07E+07 1.77E+07 1.46E+07 8.22E+06 1.35E+07 2.26E+07 2.49E+07 3.11E+07 2.97E+07 1.25E+07 1.17E+07 2.11E+07 N-Acetylornithine_2 2.53E+06 4.93E+06 3.61E+06 4.52E+06 2.86E+05 1.71E+06 3.38E+06 9.82E+05 1.72E+06 2.8E+06 1.54E+06 4.57E+06 6.77E+05 2.85E+06 3.03E+06 1.93E+06 2.9E+05 2.56E+06 8.91E+05 2.18E+05 2E+06 3.55E+06 1.64E+06 3.18E+06 1.43E+06 3.43E+05 9.72E+04 1.54E+06 2.15E+06 4.65E+05 3.92E+06 1.41E+06 2.32E+06 2.12E+06 3.43E+05 3.57E+05 2.29E+05 7.18E+05 1.38E+05 1.79E+05 2.91E+06 4.86E+05 1.39E+06 2.86E+06 1.29E+06 1.55E+06 2.27E+06 1.53E+06 4.93E+05 1.78E+06 3.39E+06 N-Acetylornithine_3 4.35E+05 5.16E+05 1.15E+06 1.02E+06 2.81E+05 4.29E+05 7.91E+05 7.82E+05 5.09E+05 5.47E+05 4.9E+05 3.59E+05 4.92E+05 3.96E+05 2.68E+05 5.46E+05 1.62E+05 2.5E+05 5.83E+05 3.16E+05 6.88E+05 4.43E+05 2.82E+05 6.04E+05 1.36E+05 2.41E+05 3.85E+05 2.57E+05 2.31E+05 4.53E+05 3.36E+05 2.32E+05 1.9E+05 5.96E+05 2.43E+05 3.16E+05 4.7E+05 2.89E+05 1.9E+05 2.04E+05 2.06E+05 5.87E+05 5.52E+05 2.46E+05 5.48E+05 2.4E+05 4E+05 1.76E+05 1.06E+06 6.89E+05 4.59E+05 N-Acetylornithine_4 4.98E+05 6.18E+04 2.13E+05 4.01E+04 7.34E+04 2.07E+05 5.37E+04 1.26E+05 8.18E+04 8.02E+04 1.61E+05 7.72E+04 9.28E+04 5.21E+05 1.44E+05 1.61E+05 3.31E+05 5.91E+05 2.11E+04 4.65E+04 2.53E+05 3.42E+05 1.52E+05 5.05E+04 4.3E+04 4.08E+04 1.31E+05 4.19E+04 6.81E+04 7.22E+05 7.71E+05 6.53E+04 8.52E+04 1.64E+05 5.29E+05 5.49E+04 3.69E+04 7.55E+04 8.79E+04 3.57E+04 7.78E+05 8.49E+04 1.11E+05 1.18E+05 5.47E+04 6.91E+04 1.41E+05 8.32E+04 1.36E+04 8.34E+04 4.51E+05 N-ACETYLPUTRESCINE 6.04E+06 3.87E+05 5.29E+05 7.24E+05 4.52E+05 7.14E+05 6.79E+05 2.33E+05 3.76E+05 9.71E+05 7.36E+05 8.18E+05 4.69E+05 4.82E+06 3.26E+06 4.87E+05 6.18E+05 2.82E+05 1.12E+06 7.93E+05 9.22E+05 3.85E+06 6.73E+05 1.83E+06 1.17E+06 8.77E+05 8.95E+04 1.99E+05 9.66E+05 5.49E+06 7.53E+06 1.52E+06 6.37E+05 5.52E+05 2.47E+06 5.84E+05 1.03E+06 1.61E+06 8.99E+05 1.4E+06 3.11E+06 7.5E+05 5.51E+05 1.95E+06 3.04E+06 7.35E+05 1.58E+06 5.66E+05 6.96E+05 3.11E+05 1.06E+07 N-Acetylputrescine 2.21E+04 3.36E+03 4.88E+03 0 4.36E+03 3.49E+03 0 1.92E+04 1.64E+03 0 0 4.3E+03 1.92E+03 2.54E+03 1.49E+03 1.56E+03 7.26E+03 0 0 4.08E+03 0 3.6E+03 1.45E+03 0 1.94E+03 7.91E+03 4.19E+05 3.44E+03 0 7.43E+03 2.03E+03 0 5.22E+03 0 2.63E+03 0 0 2.16E+03 0 0 0 4.74E+03 1.37E+03 0 1.91E+04 1.45E+03 2.51E+06 0 5.42E+03 0 0 Nalidixic acid_1 2.18E+06 3.37E+06 9.81E+06 4.04E+06 3.32E+06 3.63E+06 7.87E+06 5.01E+06 4.1E+06 5.67E+06 9.99E+06 3.06E+06 4.56E+06 7.09E+06 1E+07 5.91E+06 2.6E+06 5.31E+06 3.71E+06 3.59E+06 2.44E+06 2.3E+06 1.24E+07 2.77E+06 3.84E+06 3.33E+06 4.49E+06 3.04E+06 4.08E+06 9.76E+06 4.98E+06 5.05E+06 1.18E+07 3.56E+06 2.1E+06 3.24E+06 2.25E+06 2.21E+06 1.92E+06 4.65E+06 1.35E+07 2.5E+06 4.43E+06 8.49E+06 1.61E+06 7.23E+06 6.41E+06 3.75E+06 2.11E+06 4.95E+06 2.21E+06 Nalidixic acid_2 2.99E+06 2.88E+06 3.23E+06 3.01E+06 3.65E+06 1.63E+06 2.11E+06 4.56E+06 2.72E+06 2.13E+06 3.17E+06 2.84E+06 2.3E+06 1.79E+06 1.8E+06 2.04E+06 2.69E+06 3.12E+06 3.01E+06 2.67E+06 3.18E+06 3.53E+06 2.99E+06 3.82E+06 3.38E+06 1.45E+06 2.49E+06 2.39E+06 1.32E+06 1.67E+06 1.63E+06 2.02E+06 2.37E+06 2.24E+06 1.58E+06 2.52E+06 3.12E+06 2.24E+06 9.19E+05 1.39E+06 2.4E+06 2.04E+06 2.23E+06 1.55E+06 3.01E+06 4.65E+06 5.96E+06 1.67E+06 2.27E+06 2.46E+06 2.56E+06 Nalidixic acid_3 1.36E+06 2.31E+06 3.83E+06 2.02E+06 1.57E+06 1.17E+06 2.68E+06 1.43E+06 2.25E+06 1.48E+06 2.77E+06 2.1E+06 1.44E+06 1.86E+06 1.58E+06 1.93E+06 8.55E+05 6.06E+05 1.51E+06 1.01E+06 8.52E+05 9.33E+05 1.22E+06 1.38E+06 3.53E+05 1.01E+06 1.94E+06 1.76E+06 1.53E+06 1.98E+06 2.74E+06 4.79E+05 9.85E+05 1.03E+06 5.23E+05 1.37E+06 8.78E+05 8.17E+05 5.91E+05 1.18E+06 1.95E+06 7.4E+05 1.12E+06 1.13E+06 6.78E+05 1.42E+06 2.31E+06 3.99E+05 1.01E+06 2.27E+06 1.73E+06 Nalidixic acid_4 6.04E+05 7.73E+05 2.06E+06 8.58E+05 5.77E+05 4.46E+05 1.29E+06 1.72E+06 7.55E+05 1.1E+06 3.04E+06 7.25E+05 2.66E+05 1.84E+06 1.48E+06 7.31E+05 2.65E+05 2.33E+05 6.31E+05 2.67E+05 4.26E+05 3.27E+05 1.11E+06 5.71E+05 1.81E+05 3.28E+05 8.3E+05 5.71E+05 8.33E+05 1.61E+06 6.96E+05 7.82E+05 6.9E+05 3.67E+05 1.82E+05 3.78E+05 3.39E+05 3.3E+05 2.19E+04 7.24E+05 2.09E+06 2.38E+05 4.66E+05 1.48E+05 2.44E+05 1.22E+06 8.15E+05 1E+05 4.8E+05 9.81E+05 8.64E+05 Nalidixic acid_5 5.79E+04 5.65E+04 5.22E+05 2.2E+05 2.84E+04 4.09E+04 2.57E+05 5.43E+04 8.63E+04 7.39E+04 9E+04 1.07E+05 1.85E+04 6.84E+04 1.75E+04 4.89E+04 6.53E+04 9.28E+04 9.76E+04 3.75E+04 6.87E+04 8.4E+03 5.99E+04 6.88E+04 1.58E+04 1.7E+04 6.44E+04 1.04E+05 3.26E+04 1.52E+05 2.9E+04 5.98E+03 7.15E+04 1.67E+04 4.04E+03 2.38E+04 2.11E+04 1.41E+03 3.11E+03 8.68E+04 6.55E+04 3.66E+03 6.37E+04 7.17E+03 7.46E+03 1.04E+04 5.4E+04 2.85E+04 3.15E+04 3.57E+04 2.02E+05 N-Amidino-L-glutamate 4.15E+05 3.05E+05 1.05E+05 6.68E+05 3.28E+05 2.93E+05 3.74E+05 3.46E+05 3.1E+05 2.74E+05 3.23E+05 3.71E+05 2.9E+05 3.72E+05 6.92E+04 1.75E+05 3.58E+05 2.27E+05 6.66E+05 2.48E+05 3.98E+05 4.79E+05 1.95E+05 3.93E+05 2.12E+05 1.23E+05 4.06E+05 5.04E+05 2.39E+05 3.74E+05 5.3E+05 1.45E+05 1.88E+05 1.79E+05 2.31E+05 3.6E+05 1.07E+05 3.9E+05 7.73E+04 2.52E+05 2.21E+05 2.14E+05 3.13E+05 1.01E+05 4.68E+05 3.3E+05 4.24E+05 1.33E+05 3.02E+05 3.53E+05 4.58E+05 N-Cyclohexylformamide_1 3.19E+05 9.76E+05 7.08E+05 1.03E+06 3E+05 6.21E+05 1.18E+06 7.5E+05 3.67E+05 6.92E+05 1.74E+05 6.99E+05 3.33E+05 6.42E+05 9.91E+05 2.73E+05 2.34E+05 1.15E+06 2.17E+05 1.11E+05 3.82E+05 3.88E+05 6.59E+05 4.07E+05 5E+05 1.58E+05 2.89E+05 2.86E+05 3.58E+05 1E+05 5.83E+05 6.29E+05 6.44E+05 3.84E+05 2.32E+04 2.89E+05 1.83E+05 1.93E+05 8.66E+04 1E+05 4.12E+05 1.96E+05 4.23E+05 9.5E+05 2.43E+05 3.76E+05 4.14E+05 7.47E+05 1.01E+05 4.68E+05 6.05E+05 N-Cyclohexylformamide_2 7.8E+05 2.99E+05 3.44E+05 2.24E+05 4.38E+05 2.3E+05 6.04E+05 3.02E+05 2.53E+05 1.16E+05 2.88E+05 1.8E+05 4.4E+05 7.4E+05 3.92E+05 2.14E+05 3.66E+05 6.3E+05 2.17E+05 2.59E+05 1.37E+05 5.18E+05 3.42E+05 4.71E+05 2.95E+05 1.63E+05 1.64E+05 1.42E+05 7.53E+04 9.79E+05 9.66E+05 3.26E+05 3.46E+05 3.39E+05 7.66E+05 3.22E+05 3.24E+05 2.18E+05 3.39E+05 3.04E+05 3.97E+05 7.1E+05 4.86E+05 7.72E+05 9.42E+05 5.85E+04 6.22E+05 4E+05 1.72E+05 2.17E+05 1.07E+06 N-Cyclohexylformamide_3 2.13E+05 5.09E+05 6.37E+05 4.76E+04 8.45E+05 2.97E+05 2.89E+06 2.34E+05 3.48E+05 1.29E+05 4.51E+04 1.85E+04 4.41E+06 1E+05 2.95E+05 2.46E+05 3.23E+05 3.06E+05 5.66E+04 3.76E+04 1.25E+05 2.01E+05 1.22E+05 3.06E+05 2.53E+04 6.1E+05 4.67E+05 8.09E+04 1.49E+05 6.3E+05 9.66E+05 1.91E+04 9.92E+05 1.52E+06 5.49E+05 1.07E+06 6.63E+05 8.69E+05 2.3E+06 4.36E+05 1.4E+05 4.49E+06 6.42E+05 2.64E+05 1.58E+05 2.44E+05 5.81E+04 1.66E+04 1.77E+05 3.52E+05 4.15E+05 N-Cyclopropylammeline 1.16E+07 0 0 0 0 2.14E+03 1.42E+03 1.12E+03 0 1.61E+03 0 2.97E+04 1.26E+03 0 0 0 1.17E+03 0 2.86E+06 0 1.04E+03 1.07E+03 0 0 0 1.2E+03 965 0 0 0 0 0 1.02E+03 0 0 0 0 0 1.03E+03 946 2.01E+03 879 1.19E+03 1.24E+03 1.06E+03 0 0 4.55E+03 1.4E+03 0 0 Nebularine 0 0 1.05E+04 0 4.94E+03 0 1.72E+03 0 0 2.82E+03 852 0 0 0 0 1.69E+03 2.2E+03 1.96E+03 0 5.81E+03 0 0 0 0 2.06E+04 0 0 0 1.26E+03 0 0 0 0 0 6.45E+03 3.53E+03 0 1.51E+03 0 1.65E+03 705 0 0 0 0 0 1.12E+03 0 0 0 0 NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE 1.42E+07 9.19E+06 1.69E+07 1.2E+07 1.11E+07 1.18E+07 1.52E+07 4.8E+06 1.35E+07 9.36E+06 9.87E+06 1.1E+07 7.38E+06 8.87E+06 1.08E+07 1.29E+07 1.08E+07 1.65E+07 1.18E+07 1.6E+07 1.04E+07 2.19E+07 1.96E+07 8.73E+06 8.34E+06 1.08E+07 1.05E+07 1.14E+07 2.22E+07 9.81E+06 1.13E+07 1.04E+07 1.12E+07 9.78E+06 1.33E+07 1.03E+07 1.22E+07 7.17E+06 1.95E+07 1.21E+07 8.76E+06 9.49E+06 8.11E+06 1.73E+07 1.85E+07 7.63E+06 1.1E+07 9.61E+06 1.73E+07 6.39E+06 2.56E+07 N-Ethylglycocyamine 3.74E+08 3.28E+08 2.88E+08 3.28E+08 2.32E+08 3.12E+08 3.09E+08 1.97E+08 2.67E+08 2.46E+08 2.79E+08 3.17E+08 2.64E+08 2.73E+08 2.4E+08 2.46E+08 2.72E+08 2.12E+08 2.41E+08 2.77E+08 2.52E+08 2.65E+08 2.21E+08 2.56E+08 2.06E+08 2.7E+08 2.3E+08 2.54E+08 2.56E+08 2.02E+08 2.44E+08 2.07E+08 2.01E+08 2.47E+08 2.52E+08 2.39E+08 2.41E+08 2.47E+08 2.57E+08 2.48E+08 2.24E+08 2.42E+08 2.37E+08 2.26E+08 2.44E+08 2.4E+08 3.64E+08 1.84E+08 2.47E+08 2.31E+08 3.72E+08 N-Ethylmaleimide 4.08E+06 6.16E+05 2.89E+05 9.92E+04 8.79E+04 4.33E+05 1.16E+05 1.49E+05 1.18E+05 3.4E+05 6.24E+06 2.63E+05 4.35E+06 4.58E+06 1.19E+06 7.02E+05 1.04E+06 9.3E+04 1.59E+05 1.45E+05 7.89E+05 1.53E+06 7.24E+04 4.17E+06 7.44E+04 9.08E+05 1.65E+06 8.16E+04 1.96E+05 1.24E+06 9.67E+05 5.52E+05 5.18E+05 1.08E+05 2.15E+06 1.2E+05 1.51E+06 1.61E+06 8.79E+04 5.16E+06 3.35E+06 1.78E+06 2.57E+05 1.81E+06 5.25E+05 8.17E+05 1.45E+07 3.63E+05 8.6E+05 9.89E+04 1.31E+06 Netilmicin 2.97E+06 6.39E+05 1.18E+06 1.16E+06 6.7E+05 7.77E+05 8.27E+05 5.49E+05 1.3E+06 6.23E+05 1.66E+06 1.04E+06 2.01E+06 1.06E+06 8.94E+05 7.17E+05 1.17E+06 1.43E+06 7.09E+05 9.29E+05 1.43E+06 1.19E+06 6.16E+05 5.92E+05 1.7E+06 7.07E+05 7.92E+05 5.91E+05 6.79E+05 7.85E+05 7.7E+05 5.13E+05 1.15E+06 8.58E+05 9.12E+05 5.41E+05 1.25E+06 7.8E+05 8.18E+05 5.28E+05 7.22E+05 6.04E+05 6.16E+05 1E+06 9.78E+05 1.21E+06 7.72E+05 4.85E+05 4.4E+05 1.08E+06 9.16E+05 N-Formimino-L-glutamate 7.8E+06 6.46E+06 6.14E+06 5.41E+06 8.99E+06 5.25E+06 4.87E+06 9.11E+06 7.39E+06 3.04E+06 9E+06 5.17E+06 7.9E+06 4.28E+06 3.78E+06 5.49E+06 1.24E+07 7.24E+06 9.11E+06 6.48E+06 8.37E+06 9.84E+06 6.81E+06 6.72E+06 2.2E+07 3.76E+06 6.68E+06 5.13E+06 3.45E+06 5.13E+06 5.03E+06 6.32E+06 5.48E+06 4.73E+06 5.63E+06 6.88E+06 6.94E+06 4.32E+06 3.49E+06 2.86E+06 5.16E+06 6.06E+06 3.96E+06 3.79E+06 9.9E+06 1.13E+07 1.11E+07 4.97E+06 5.97E+06 4.85E+06 7.56E+06 N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine 7.1E+05 1.39E+05 1.95E+05 1.76E+05 2.54E+05 3.79E+05 3.46E+05 1.05E+05 4.34E+04 2.12E+05 3.72E+05 2.09E+05 2.83E+05 4.67E+05 3.44E+05 3.83E+05 2.92E+05 9.48E+04 3.24E+05 1.79E+05 1.79E+05 6.35E+05 1.34E+05 4.01E+05 3.18E+05 2.22E+05 6.83E+04 1.63E+05 4.05E+05 6.66E+05 8.99E+05 3.43E+05 2.67E+05 9.02E+04 1.75E+05 9.49E+04 3.14E+05 2.96E+05 1.48E+05 1.71E+05 4.25E+05 1.94E+05 1.92E+05 3.52E+04 5.19E+05 3.07E+05 3.25E+05 1.87E+05 2.29E+05 1.34E+05 5.55E+05 N-FORMYLGLYCINE 4.53E+05 4.84E+05 6.84E+05 3.5E+05 1.01E+06 4.44E+05 6.85E+05 7.66E+05 1.07E+06 3.68E+05 1.2E+06 3.74E+05 6.98E+05 5.7E+05 4.19E+05 8.42E+05 1.45E+06 9.14E+05 6.86E+05 7.23E+05 6.66E+05 6.84E+05 9.69E+05 3.9E+05 3.61E+06 7.75E+05 7.73E+05 4.5E+05 6.06E+05 5.73E+05 5.72E+05 1.02E+06 6.46E+05 3.42E+05 5.5E+05 5.18E+05 3.81E+05 3.36E+05 3.38E+05 4.19E+05 5.84E+05 2.97E+05 6.47E+05 5.55E+05 7.66E+05 9.82E+05 8.15E+05 5.92E+05 6.71E+05 5.15E+05 5.16E+05 N-Formylmethionine 5.04E+05 1.01E+07 1.7E+05 2.78E+06 4.37E+05 1.34E+06 2.81E+05 1.93E+04 2.34E+06 6.98E+05 4.02E+04 2.12E+03 9.88E+05 3.65E+05 2.68E+07 9.7E+05 6.77E+05 6E+05 3.93E+06 6.74E+05 1E+06 2.15E+05 1.62E+06 3.62E+06 3.15E+05 4.56E+05 3.03E+06 2.54E+07 2.73E+05 1.16E+06 2.21E+06 4.03E+05 1.73E+06 2.26E+06 7.4E+06 4.53E+06 1.5E+06 1.24E+06 2.75E+06 2.39E+06 0 1.57E+06 1.18E+06 7.59E+06 2.14E+06 2.23E+06 1.83E+05 4.04E+03 6.74E+05 2.42E+05 3.89E+06 N-Heptanoylhomoserine lactone 2.83E+05 1.24E+05 3.37E+05 4.32E+04 2.25E+05 1.84E+05 4.89E+05 4.6E+05 1.29E+05 1.63E+05 1.65E+05 8.3E+04 3.12E+06 5.35E+04 9.15E+05 1.47E+05 2.05E+05 6.43E+05 7.06E+04 2.14E+05 7.71E+04 3.36E+04 6.38E+05 8.38E+04 1.87E+05 1.64E+05 7.54E+04 5.91E+04 1.46E+04 2.99E+05 9.7E+04 7.45E+05 1.55E+06 3.6E+05 3.36E+05 2.96E+05 1.13E+05 2.88E+04 3.31E+05 7.73E+04 3.5E+05 5.78E+05 1.15E+05 6.2E+05 2.6E+04 3.67E+05 1.26E+05 4.29E+05 8.43E+04 8.51E+04 1.1E+05 N-Hydroxy-L-valine 4.11E+07 2.4E+07 2.7E+07 2.48E+07 1.6E+07 1.69E+07 1.51E+07 1.16E+07 1.18E+07 1.94E+07 4.29E+06 1.87E+07 1.07E+07 2E+07 7.87E+06 1.26E+07 2.5E+07 7.07E+06 4.22E+07 1.39E+07 2.3E+07 1.61E+07 3.69E+06 1.46E+07 2.49E+06 1.39E+07 3.77E+07 2.16E+07 1.5E+07 2.24E+07 3.53E+07 1.19E+07 5.31E+06 2.19E+07 1.79E+07 2.95E+07 1.49E+07 1.25E+07 2.14E+07 2E+07 6.62E+06 3.17E+07 1.38E+07 7.84E+06 1.58E+07 5.46E+06 3.95E+06 4.44E+06 9.53E+06 2.04E+07 2.91E+07 NICOTINAMIDE 7.27E+06 2.52E+06 3.27E+06 5.62E+06 2.06E+06 2.11E+06 3.07E+06 3.38E+06 1.85E+06 5.16E+06 3.98E+06 3.32E+06 4.13E+06 3.47E+06 3.4E+06 2.24E+06 2.74E+06 3.05E+06 3.79E+06 3.47E+06 2.86E+06 4.79E+06 2.42E+06 5.28E+06 3.91E+06 2.61E+06 3.21E+06 3.24E+06 5.28E+06 2.82E+06 4.01E+06 4.6E+06 3.21E+06 6.78E+06 4.15E+06 4.24E+06 4.91E+06 4.58E+06 3.92E+06 3.61E+06 3.06E+06 5.24E+06 3.48E+06 4.85E+06 5.11E+06 2.97E+06 3.13E+06 2.81E+06 2.84E+06 2.55E+06 3.76E+06 Nicotinamide 2.12E+06 1.72E+06 6.28E+05 1.01E+06 1E+06 1.37E+06 2.37E+06 1.1E+06 1.13E+06 1E+06 1.25E+06 2.2E+06 1.34E+06 1.37E+06 1.14E+06 1.39E+06 1.27E+06 1.28E+06 1.71E+06 1.82E+06 1.99E+06 1.7E+06 1.4E+06 1.79E+06 1.38E+06 1.52E+06 9.55E+05 1.3E+06 1.22E+06 1.23E+06 7.53E+05 1.31E+06 1.27E+06 1.3E+06 1.03E+06 1.49E+06 1.98E+06 1.68E+06 1.16E+06 1.7E+06 1.27E+06 1.4E+06 1.51E+06 1.6E+06 1.26E+06 1.29E+06 1.61E+06 1.33E+06 1.51E+06 7.04E+05 1.77E+06 NICOTINATE 8.98E+06 3.92E+05 7.63E+05 4.09E+05 3.14E+05 5.28E+05 4.67E+05 3.84E+05 2.39E+05 7.44E+05 9.16E+05 5.19E+05 4.44E+05 1.2E+07 7.9E+06 5.48E+05 9.86E+05 4.62E+05 5.76E+05 5.62E+05 4.28E+05 1.11E+07 1.14E+06 1.13E+06 4.7E+05 6.46E+05 4.88E+05 5.16E+05 6.33E+05 1.79E+07 1.35E+07 6.61E+05 4.31E+05 5.43E+05 7.67E+06 4.17E+05 1.03E+06 7.18E+06 4.89E+05 7.96E+05 6.03E+06 9.1E+05 6.13E+05 4.29E+06 1.18E+07 4.88E+05 3.49E+05 7.97E+05 4.51E+05 4.31E+05 1.37E+07 Nicotyrine 4.41E+06 4.53E+06 4.71E+06 4.64E+06 2.77E+06 3.49E+06 4.47E+06 2.02E+06 3.48E+06 3.31E+06 3.57E+06 5.7E+06 2.29E+06 3.75E+06 3.54E+06 2.88E+06 3.11E+06 3.67E+06 3.09E+06 3.96E+06 3.21E+06 3.46E+06 4.49E+06 3.71E+06 2.76E+06 3.91E+06 2.9E+06 3.48E+06 3.68E+06 2.64E+06 3.14E+06 2.95E+06 3.51E+06 4.01E+06 3.35E+06 3.23E+06 3.61E+06 2.85E+06 3.05E+06 4.47E+06 3.58E+06 3.55E+06 3.79E+06 3.48E+06 3.13E+06 3.31E+06 4.34E+06 2.81E+06 3.51E+06 3.4E+06 4.9E+06 N-Isopropylammelide_1 2.12E+06 1.84E+06 1.18E+06 3.06E+06 1.81E+06 1.64E+06 1.27E+06 2.19E+06 1.72E+06 2.02E+06 6.69E+05 2.7E+06 8.12E+05 1.62E+06 8.68E+05 1.91E+06 2.9E+06 6.56E+05 3.69E+06 2.05E+06 3.42E+06 2.81E+06 3.92E+05 3.1E+06 6.47E+05 2.4E+06 2.3E+06 5.27E+06 1.98E+06 2.91E+06 2.7E+06 6.78E+05 6.51E+05 2.21E+06 3.98E+06 4.56E+06 2.74E+06 5.46E+06 2.58E+06 2.32E+06 1.64E+06 1.67E+06 2.49E+06 1.07E+06 3.56E+06 1.19E+06 9.75E+05 7.12E+05 3.23E+06 2.97E+06 2.02E+06 N-Isopropylammelide_2 7.99E+05 1.24E+06 7.52E+05 2.47E+06 6.97E+05 1.02E+06 9.36E+05 2.31E+06 1.14E+06 1.12E+06 1.49E+05 1.16E+06 9.03E+04 9.23E+05 3.58E+05 8.12E+05 1.42E+06 3.4E+04 2.38E+06 1.03E+06 1.66E+06 1.11E+06 3.01E+04 1.64E+06 8.18E+03 1.33E+06 1.38E+06 2.61E+06 1.12E+06 7.65E+05 1.33E+06 4.94E+04 1.04E+05 9.46E+05 1.39E+06 2.23E+06 1.07E+06 1.54E+06 8.76E+05 7.26E+05 1.23E+05 8.48E+05 1E+06 1.21E+05 1.08E+06 5.64E+04 6.44E+04 6.4E+03 8.7E+05 1.13E+06 1.38E+06 N-Isopropylammelide_3 6.65E+05 3.89E+05 4.12E+05 3.52E+05 6.3E+05 5.89E+05 1.42E+05 7.1E+05 4.69E+05 5.85E+05 3.48E+05 3.56E+05 5.1E+05 5.15E+05 4.31E+05 4.35E+05 1.78E+06 8.83E+05 4.92E+05 4.71E+05 1.69E+06 5.22E+05 5.87E+05 4.73E+05 2.44E+06 4.84E+05 6.6E+05 5.41E+05 5.69E+05 4.62E+05 5.83E+05 3.2E+06 7.14E+05 5.62E+05 5.69E+05 6.34E+05 6.11E+05 1.38E+06 7.23E+05 6.55E+05 4.93E+05 4.51E+05 3.31E+05 5.22E+05 5.28E+05 5.31E+05 1.88E+05 1.22E+06 2.31E+05 4.06E+05 4.36E+05 Nitrofurazone_1 4.43E+05 1.07E+06 6.75E+05 1.26E+06 1.27E+06 1.46E+06 9.61E+05 4.54E+05 1.28E+06 1.11E+06 8.03E+05 1.27E+06 1.94E+06 9.38E+05 1.03E+06 6.78E+05 1.33E+06 7.81E+05 9.14E+05 1.36E+06 4.51E+05 5.14E+05 9.07E+05 4.67E+05 6.93E+05 1.1E+06 1.07E+06 1.14E+06 6.91E+05 5.29E+05 1.88E+06 9.96E+05 4.1E+05 7.79E+05 1.59E+06 9.26E+05 4.74E+05 5.52E+05 1.23E+06 8.76E+05 9.66E+05 5.49E+05 3.83E+05 7.41E+05 3.96E+05 7.89E+05 1.65E+06 1.31E+06 5.37E+05 5.75E+05 6.2E+05 Nitrofurazone_2 7.38E+04 1.51E+05 2.43E+04 7.36E+04 1.93E+05 2.42E+05 9.9E+04 2.72E+04 9.62E+04 1.21E+05 5.67E+04 1.94E+05 1.85E+05 1.3E+05 7.63E+04 6.37E+04 2.18E+05 8.23E+04 1.48E+05 6.51E+04 5.75E+04 6.88E+04 7.52E+04 6.22E+04 9.88E+04 1.8E+05 1.47E+05 2.12E+05 2.88E+04 2.86E+04 3.2E+05 8.05E+04 2.6E+04 7.53E+04 3.49E+05 1.31E+05 2.6E+04 3.16E+04 3E+05 1.13E+05 6.79E+04 1.37E+05 1.06E+04 4.83E+04 5.21E+04 1.36E+04 2.45E+05 2.44E+05 1.42E+05 5.96E+04 1.29E+05 N-Methyl-2-pyrrolidinone_1 1.53E+07 1.02E+08 7.09E+06 1.61E+07 3.74E+07 3.99E+07 2.85E+07 1.39E+07 4.48E+07 1.79E+07 2.63E+07 1.23E+08 3.95E+07 8.35E+07 7.95E+06 4E+07 6.05E+07 2.87E+07 1.7E+06 1.57E+07 2.02E+06 2.2E+06 2.73E+06 9.28E+06 2.94E+06 8.73E+06 5.79E+07 9.58E+07 3.75E+06 6.71E+06 1.2E+07 3.98E+06 1.71E+07 2.66E+07 7.22E+07 1.61E+08 8.23E+06 3.25E+07 1.17E+07 6.93E+06 1.92E+07 9.12E+06 4.42E+07 1.75E+08 5.56E+06 1.43E+07 2.58E+06 1.5E+07 4.53E+07 5.83E+07 2.44E+07 N-Methyl-2-pyrrolidinone_2 2.35E+06 4.04E+06 2.15E+06 1.82E+06 2.85E+06 2.16E+06 2.29E+06 4E+06 2.39E+06 1.62E+06 2.16E+06 2.75E+06 2.75E+06 2.33E+06 1.84E+06 1.86E+06 3.5E+06 2.08E+06 2.59E+06 3.07E+06 2.11E+06 1.86E+06 2.45E+06 2.39E+06 2.91E+06 1.52E+06 2.81E+06 2.94E+06 1.19E+06 1.9E+06 1.82E+06 1.89E+06 1.62E+06 2.21E+06 2.9E+06 4.65E+06 2.35E+06 2.74E+06 1.71E+06 1.28E+06 1.82E+06 2.57E+06 2.29E+06 3.47E+06 2.44E+06 3.6E+06 2.23E+06 1.72E+06 2.62E+06 2.28E+06 2.54E+06 N-Methyl-2-pyrrolidinone_3 3.22E+06 1.43E+05 3.59E+06 3.5E+06 7.55E+05 5.7E+06 1.44E+06 8E+05 8.98E+05 2.44E+06 1.5E+06 4.91E+06 7.55E+05 6.51E+05 2.93E+05 1.17E+06 1.15E+06 5.91E+05 4.01E+06 6.11E+05 2.77E+06 2.19E+06 3.27E+05 9.18E+06 5.2E+05 4.99E+06 1.39E+06 6.68E+06 1.2E+06 1.66E+06 1.39E+06 3.87E+05 2.77E+05 1.12E+06 1.64E+06 1.19E+06 1.28E+07 5.2E+06 4.74E+05 2.41E+06 1.19E+06 9.71E+05 2.06E+06 5.82E+05 3.91E+06 3.35E+06 4.07E+06 3.78E+05 2.49E+06 7.89E+05 1.02E+07 N-Methyl-2-pyrrolidinone_4 4.59E+05 5.32E+06 2.05E+06 9.06E+05 7.32E+05 2.16E+06 3.93E+06 9.31E+05 7.93E+05 1.42E+06 2.94E+06 1.08E+06 1.61E+06 8.46E+05 1.11E+06 2.15E+06 1.66E+06 2.7E+06 5.07E+05 1.29E+06 6.38E+05 5.97E+05 1.31E+06 1.13E+06 1.25E+06 1.4E+06 2.7E+06 1.94E+06 5.43E+05 1.42E+06 6.99E+05 5.36E+05 2.01E+06 7.76E+05 1.18E+06 3.85E+06 1.48E+06 1.64E+06 6.92E+05 5.83E+05 1.24E+06 2.92E+05 1.82E+06 2.33E+06 4.89E+05 1.23E+06 1.87E+06 1.35E+06 1.87E+06 2.13E+06 2.2E+06 N-Methyl-2-pyrrolidinone_5 7.44E+05 1.6E+06 3.4E+05 1.1E+06 8.07E+04 6.86E+05 1.24E+06 5.37E+05 2.55E+05 6.19E+05 2.78E+05 7.41E+05 3.44E+05 7.38E+05 8.35E+05 2.86E+05 3.13E+05 9.75E+05 5.51E+04 1.06E+05 1.61E+06 1.07E+06 4.46E+05 7.24E+05 5.3E+05 4.11E+04 1.53E+05 1.39E+05 2.36E+05 3.07E+05 5.79E+05 6E+05 5.7E+05 9.14E+05 1.45E+05 6.69E+04 9.5E+04 5.1E+04 2.74E+05 8.91E+04 2.08E+05 3.3E+04 6.16E+05 9.75E+05 1.14E+05 4.26E+05 3.83E+05 5.32E+05 5.5E+04 2.41E+05 1.57E+06 N-METHYL-D-ASPARTIC ACID 1.57E+07 1.19E+07 1.4E+07 8.42E+06 1.06E+07 1.62E+07 9.08E+06 9.53E+06 6.38E+06 9.11E+06 7.33E+06 9.21E+06 4.6E+06 7.76E+06 1.85E+07 8.78E+06 1.86E+07 8.99E+06 6.34E+06 1.88E+07 4.25E+06 3.95E+06 7.38E+06 1.01E+07 8.44E+06 1.03E+07 6.18E+06 4.95E+06 5.67E+06 1.15E+07 1.59E+07 9.63E+06 6.33E+06 1.33E+07 1.99E+07 1.17E+07 1.18E+07 7.04E+06 9.72E+06 7.92E+06 8.3E+06 5.76E+06 5.39E+06 5.59E+06 3.37E+06 7.13E+06 4.69E+06 1.42E+07 8.38E+06 9.21E+06 1.26E+07 N-Methyl-N'-nitro-N-nitrosoguanidine 1.44E+05 3.57E+04 1.1E+05 1.23E+05 9.43E+04 7.34E+04 7.84E+04 4.62E+04 1.75E+05 8.66E+04 2.15E+05 1.43E+05 2.83E+04 7.12E+04 1.52E+05 9.44E+04 8.39E+04 1.54E+05 2.3E+04 5.05E+04 1.91E+04 4.38E+04 1.7E+05 7.99E+04 1.09E+05 1.77E+05 4.87E+04 4.37E+04 3.27E+05 8.61E+04 1.26E+05 8.99E+04 9.1E+04 1.5E+05 7.49E+04 5.3E+04 2.19E+04 1.29E+04 1.71E+05 2.79E+05 1.5E+05 3.47E+04 1.82E+05 8.97E+04 4.88E+04 5.48E+04 1.88E+05 3.61E+04 5.67E+04 1.38E+05 1.7E+05 N-Methylpelletierine_1 3.12E+05 2.95E+05 1.12E+06 3.63E+05 2.24E+06 1.42E+06 7.3E+05 1.01E+06 1.31E+06 2.36E+06 3.27E+06 2.72E+05 4.02E+06 2.82E+06 9.47E+05 1.41E+06 2.22E+06 5.18E+06 3.36E+05 1.19E+06 2.44E+05 3.02E+05 6.64E+06 3.14E+05 1.45E+07 4.5E+05 7.34E+05 1.4E+05 5.36E+05 1.26E+06 4.51E+05 8.67E+06 1.64E+06 7.65E+05 4.59E+05 1.38E+05 6.79E+05 2.02E+06 7.81E+05 9.09E+05 1.89E+06 4.16E+05 6.42E+05 1.49E+06 2.31E+05 2.21E+06 3.66E+06 4.89E+06 9.76E+05 4.69E+05 8.83E+05 N-Methylpelletierine_2 7.86E+04 9.63E+04 4.59E+04 1.73E+06 1.14E+05 9.54E+04 9.45E+04 3.09E+04 9.31E+04 6.28E+06 1.5E+07 3.55E+05 6.78E+04 3.4E+04 3.7E+04 2.78E+04 7.4E+04 2.89E+04 8.95E+04 3.14E+04 7.05E+05 1.65E+06 3.41E+04 5.76E+04 1.85E+07 2.79E+05 5.12E+04 7.23E+04 8.45E+05 3.48E+04 2.64E+06 7.61E+04 1.27E+05 8.93E+05 2.12E+04 3.82E+04 3.85E+04 2E+05 2.5E+06 2.2E+06 1.97E+05 1.14E+06 3.62E+04 5.61E+05 1.4E+06 2.94E+05 5.58E+06 2.99E+05 4.4E+04 6.25E+04 2.69E+06 N-Nitrosoguvacoline_1 1.76E+06 3.98E+06 4.44E+06 6.56E+06 2.33E+06 3.41E+06 2.53E+06 3.18E+06 3.21E+06 3E+06 4.39E+06 2.28E+06 5.29E+06 4.31E+06 3.61E+06 3.29E+06 1.39E+06 9.29E+05 2.07E+06 1.78E+06 1.91E+06 2.89E+06 5.06E+06 2.51E+06 1.01E+06 2.69E+06 3.92E+06 6.35E+06 4.75E+06 3.56E+06 5.07E+06 1.01E+06 1.95E+06 2.77E+06 2.6E+06 3.25E+06 1.58E+06 1.28E+06 3.14E+06 5.11E+06 2.31E+06 2.72E+06 2.54E+06 3.2E+06 2.97E+06 1.27E+06 2.39E+06 1.48E+05 1.26E+06 4.16E+06 4.53E+06 N-Nitrosoguvacoline_2 1.49E+06 1.15E+06 1.56E+06 2.26E+06 2.92E+06 6.37E+06 1.83E+06 1.36E+06 1.26E+06 3.1E+06 1.18E+06 3.63E+05 3.52E+06 2.79E+06 2.29E+06 1.34E+06 2.11E+06 2.72E+06 4.55E+05 1.19E+06 6.5E+06 9.5E+05 4.23E+06 8.38E+05 1.32E+06 2.33E+06 9.47E+05 1.24E+06 8.87E+05 2.88E+06 1.39E+06 1.11E+06 8.64E+05 2.08E+06 2.43E+06 7.34E+05 1.52E+06 5.29E+05 1.95E+06 3.14E+06 2.73E+05 3.55E+06 1.09E+06 1.08E+06 1.43E+06 6.26E+05 1.6E+06 3.7E+05 2.31E+06 1.9E+06 3.64E+06 N-Nitrosopiperidine_1 3.8E+07 3.41E+07 3.67E+07 3.98E+07 3.38E+07 3.37E+07 3.78E+07 3.09E+07 2.95E+07 2.91E+07 3.81E+07 2.94E+07 3.09E+07 2.81E+07 3.08E+07 2.33E+07 2.68E+07 2.17E+07 1.97E+07 2.47E+07 2.14E+07 1.68E+07 2.25E+07 2.3E+07 1.54E+07 1.89E+07 1.63E+07 1.64E+07 1.56E+07 1.58E+07 1.95E+07 1.68E+07 1.59E+07 1.48E+07 1.41E+07 1.51E+07 1.39E+07 1.3E+07 1.43E+07 1.43E+07 1.47E+07 1.43E+07 1.44E+07 1.37E+07 1.32E+07 1.35E+07 4.1E+07 1.17E+07 1.19E+07 1.18E+07 3.82E+07 N-Nitrosopiperidine_2 2.41E+06 5.17E+05 9.54E+05 3.84E+05 5.75E+05 7.35E+05 4.78E+05 2.96E+05 9.19E+05 3.85E+05 8.38E+05 7.05E+05 4.68E+05 3.03E+06 1.97E+06 9.52E+05 1.13E+06 7.64E+05 3.5E+05 4.08E+05 5.68E+05 1.91E+06 8.76E+05 9.06E+05 4.71E+05 3.94E+05 6.03E+05 4.32E+05 7.57E+05 3.19E+06 2.76E+06 3.51E+05 7.28E+05 6.08E+05 1.94E+06 2.27E+05 6.99E+05 8.14E+05 6.65E+05 5.35E+05 1.98E+06 5.42E+05 6.08E+05 9.6E+05 1.99E+06 4.26E+05 7.2E+05 6.44E+05 6.5E+05 5.17E+05 2.89E+06 Nona-2,6-dienal 1.54E+05 1.98E+05 2.31E+05 8.67E+04 1.28E+05 2.54E+05 1.02E+05 1.31E+05 2.1E+05 1.76E+05 2.08E+05 1.64E+05 1.88E+05 1.23E+05 1.74E+05 1.79E+05 1.82E+05 1.39E+05 1.3E+05 1.53E+05 1.36E+05 1.56E+05 1.84E+05 1.62E+05 1.71E+05 1.35E+05 1.88E+05 1.78E+05 1.45E+05 1.1E+05 2.24E+05 1.05E+05 1.74E+05 1.94E+05 1.58E+05 2.35E+05 1.81E+05 1.67E+05 1.59E+05 2.3E+05 1.96E+05 5.49E+04 1.61E+05 1.38E+05 2.19E+05 2E+05 6.74E+04 1.76E+05 2.27E+05 3.2E+04 1.87E+05 Nonane-4,6-dione 7.27E+04 9.2E+04 1.04E+05 1.5E+05 2.17E+05 4.34E+05 1.03E+05 7.82E+04 1.26E+05 3.37E+05 1.65E+05 1.72E+04 1.17E+04 9.2E+04 1.6E+05 1.22E+05 2.29E+05 8.54E+04 1.01E+05 1.53E+05 5.43E+05 1.95E+05 7.45E+04 8.92E+04 1.21E+05 3.59E+05 7.23E+04 1.07E+05 1.46E+05 8.35E+04 7.95E+04 9.71E+04 8.16E+04 5.87E+04 1.56E+05 3.26E+04 5.04E+04 5.17E+04 1.22E+05 1.3E+05 1.19E+05 9.75E+04 1.77E+05 8.2E+04 1.42E+05 1.15E+05 5.13E+04 4.46E+04 6.19E+04 5.36E+04 1.61E+05 N-Phosphohypotaurocyamine 9.19E+05 6.29E+05 8.43E+05 7.86E+05 7E+05 8.6E+05 7.78E+05 4.87E+05 5.73E+05 2.87E+05 1.06E+06 8.26E+05 7.22E+05 1.29E+06 8.44E+05 8.17E+05 8.33E+05 9.45E+05 6.95E+05 5.85E+05 4.95E+05 9.01E+05 8.06E+05 9.03E+05 9.08E+05 1.47E+05 6.27E+05 5.49E+05 7.27E+05 1.54E+06 7.83E+05 6.48E+05 8.16E+05 6.19E+05 4.84E+05 3.09E+05 7.08E+05 4.65E+05 5.51E+05 4.88E+05 9.15E+05 7.26E+05 6.51E+05 7.34E+05 7.87E+05 7.81E+05 9.74E+05 7.26E+05 5.9E+05 5.79E+05 9.87E+05 N-Trimethyl-2-aminoethylphosphonate_1 4.47E+05 3.51E+05 3.41E+05 2.89E+05 2.99E+05 3.35E+05 3.22E+05 2.97E+05 2.65E+05 3.36E+05 2.67E+05 3.43E+05 4.24E+05 3.94E+05 3.37E+05 2.73E+05 3.47E+05 2.84E+05 2.78E+05 2.42E+05 3.04E+05 3.63E+05 2.84E+05 3.42E+05 3.07E+05 2.41E+05 3.34E+05 3.26E+05 3.23E+05 3.9E+05 3.21E+05 2.23E+05 3.55E+05 3.32E+05 3E+05 3.54E+05 2.63E+05 3.32E+05 2.42E+05 3.3E+05 3.31E+05 2.7E+05 3.31E+05 2.35E+05 2.42E+05 3.21E+05 3.5E+05 3.7E+05 3.43E+05 3.55E+05 4.07E+05 N-Trimethyl-2-aminoethylphosphonate_2 2.01E+05 1.74E+05 1.59E+05 1.54E+05 1.6E+05 1.69E+05 1.72E+05 1.61E+05 1.8E+05 1.77E+05 1.2E+05 1.68E+05 8.65E+04 9.86E+04 2.79E+04 1.49E+05 1.5E+05 1.19E+05 1.07E+05 1.24E+05 1.29E+05 2.12E+05 1.68E+05 6.71E+04 2.04E+05 4.98E+04 1.41E+05 8.36E+04 2.02E+05 1.61E+05 1.49E+05 1.31E+05 1.43E+05 2.72E+04 1.62E+05 1.55E+05 1.16E+05 1.38E+05 1.58E+05 1.2E+05 1.43E+05 1.33E+05 1.23E+05 9.64E+04 1.28E+05 1.33E+05 9.33E+04 1.72E+05 2.36E+05 1.1E+05 9.47E+04 Nuatigenin 2.15E+06 1.29E+06 8.17E+05 1.01E+06 6.27E+05 5.78E+05 5.94E+05 2.56E+05 8.22E+05 5.68E+05 4.27E+05 8.66E+05 1.79E+05 8.92E+05 5.03E+05 9.75E+05 7.41E+05 8.77E+05 4.08E+05 8.46E+05 9.51E+05 2.09E+06 8.01E+05 3.83E+05 4.23E+05 5.61E+05 6.47E+05 2.21E+06 7.71E+05 7.75E+05 9.25E+05 5.72E+05 6.55E+05 1.2E+06 6.11E+05 1.19E+06 7.49E+05 1.48E+06 1.68E+06 4.55E+05 1.38E+06 6.8E+05 7.44E+05 8.62E+05 1.08E+06 1.43E+06 5.02E+06 6.86E+05 8.3E+05 2.28E+06 8.41E+05 O-Butanoylcarnitine_1 9.25E+06 8E+06 1.08E+07 5.77E+06 8.65E+06 6.89E+06 9.86E+06 3.9E+06 1.15E+07 9.02E+06 3.94E+06 9.9E+06 4.87E+06 1E+07 7.44E+06 1.17E+07 1.07E+07 8.5E+06 6.29E+06 6.67E+06 1.06E+07 5.07E+06 9.97E+06 7.57E+06 2.92E+06 5.72E+06 5.94E+06 6.47E+06 5.35E+06 1.2E+07 8.95E+06 4.96E+06 5.38E+06 7.23E+06 7.25E+06 5.94E+06 7.16E+06 4.22E+06 1.04E+07 2E+07 8.28E+06 8.62E+06 4.19E+06 5.92E+06 5.42E+06 6.52E+06 3.98E+06 8.93E+06 8.06E+06 7.1E+06 2.8E+07 O-Butanoylcarnitine_2 5.47E+04 3.44E+03 1.79E+05 4.23E+03 1.13E+05 4.75E+04 1.79E+05 2.86E+05 2.49E+04 5.15E+04 4.42E+04 2.43E+03 3.64E+06 1.21E+04 1.23E+05 4.74E+04 1.78E+04 2.88E+05 7.97E+03 1.62E+04 1.38E+03 2.84E+03 5.14E+04 2.86E+04 2.57E+04 5.42E+03 1.17E+04 3.48E+03 0 1.37E+04 5.74E+03 1.95E+05 4.78E+05 8.52E+04 2.11E+04 1.52E+04 2.14E+04 1.64E+03 3.24E+04 4.75E+03 6.73E+04 2.94E+05 1.9E+04 1.01E+05 0 1.66E+05 4.71E+04 1.95E+05 5.91E+03 3.12E+03 9.16E+03 Octanoic acid 9.86E+05 6.3E+05 5.34E+05 9.5E+05 7.65E+05 8.76E+05 7.15E+05 7.25E+05 3.93E+05 6.26E+05 6.61E+05 7.44E+05 7.34E+05 5.46E+05 5.48E+05 5.67E+05 8.75E+05 7.28E+05 6.29E+05 7.61E+05 7.26E+05 6.87E+05 5.44E+05 6.34E+05 3.93E+05 6.8E+05 7.14E+05 4.35E+05 6.33E+05 4.71E+05 5.53E+05 4.53E+05 5.49E+05 6.82E+05 6.56E+05 5.99E+05 6.86E+05 6.31E+05 5.32E+05 7.04E+05 5.24E+05 8.32E+05 6.96E+05 5.12E+05 5.5E+05 4.04E+05 1.05E+06 5.38E+05 8.11E+05 4.51E+05 8.96E+05 Octylamine 1.91E+07 1.96E+07 1.86E+07 1.94E+07 1.87E+07 1.94E+07 1.96E+07 2.16E+07 2.03E+07 2.07E+07 1.92E+07 2.01E+07 1.97E+07 2.04E+07 1.98E+07 2.07E+07 2.14E+07 2.05E+07 2.14E+07 2.12E+07 2.17E+07 2.08E+07 2.1E+07 2.16E+07 2.03E+07 2.07E+07 2.01E+07 2.05E+07 2.09E+07 1.95E+07 1.98E+07 2.07E+07 2.05E+07 2.17E+07 1.9E+07 2.09E+07 2.15E+07 2.18E+07 1.95E+07 2.07E+07 2.01E+07 2.02E+07 2.3E+07 2.08E+07 2.03E+07 2.02E+07 1.99E+07 1.98E+07 2.01E+07 1.99E+07 1.88E+07 O-Decanoyl-L-carnitine 1.07E+07 5.26E+06 1.17E+07 5.4E+06 4.11E+06 3.33E+06 1.28E+07 3.03E+06 1.92E+07 1.45E+07 4.87E+06 4.6E+06 6.3E+06 5.49E+06 4.72E+06 2.22E+07 3.26E+06 1.07E+07 5.11E+06 1.64E+06 3.6E+06 7.05E+06 4.51E+06 5.3E+06 3.84E+05 6.18E+06 5.89E+06 3.32E+06 1.39E+06 2.91E+06 1.06E+07 3.38E+06 1.3E+07 8.44E+06 3.2E+06 5.31E+06 2.46E+06 7.31E+06 4.83E+06 2.32E+06 1.23E+06 1.2E+07 3.85E+06 4.96E+06 2.51E+06 6.73E+06 2.39E+07 8.82E+06 4.48E+06 1.22E+07 3.49E+06 Oleoylethanolamide 6.41E+05 1.19E+04 1.48E+04 7.21E+03 2.22E+04 4.54E+03 5.14E+03 3.62E+03 5.35E+04 4.6E+04 1.17E+04 1.13E+05 6.95E+03 9.72E+04 1.02E+04 1.09E+05 9.67E+04 5.68E+04 6.35E+04 3.35E+04 8.56E+04 5.71E+05 3.79E+04 5.75E+04 3.52E+04 2E+04 9.29E+04 3.3E+04 5.31E+04 1.42E+04 2.58E+05 6.06E+04 3.38E+04 2.14E+05 3.45E+04 1.09E+04 1.88E+05 1.88E+05 1.61E+05 1.09E+04 1.6E+05 3.79E+04 5.88E+04 1.02E+04 5.15E+04 1.67E+05 2.33E+06 7.83E+03 9.34E+03 3.15E+05 5.75E+04 O-Propanoylcarnitine_1 1.81E+07 2.07E+07 2.34E+07 1.15E+07 1.27E+07 1.28E+07 1.86E+07 1.23E+07 1.65E+07 1.08E+07 1.17E+07 2.54E+07 5.75E+06 1.92E+07 1.64E+07 1.73E+07 1.61E+07 1.84E+07 1.2E+07 1.58E+07 1.32E+07 9.54E+06 1.3E+07 1.09E+07 1.51E+07 1.39E+07 1.47E+07 1.52E+07 1.12E+07 2.03E+07 1.9E+07 1.06E+07 1.2E+07 1.52E+07 1.73E+07 2E+07 8.87E+06 7.91E+06 1.98E+07 1.56E+07 1.61E+07 1.61E+07 1E+07 1.79E+07 1.12E+07 8.78E+06 1.24E+07 2.09E+07 1.41E+07 1.53E+07 2.25E+07 O-Propanoylcarnitine_2 9E+04 5.33E+03 6.21E+04 2.59E+03 1.15E+04 1.83E+04 1.78E+05 2.22E+05 5.75E+03 2.63E+04 7.11E+03 1.81E+03 1.77E+06 1.65E+04 2.85E+05 1.97E+04 1.09E+04 1.66E+05 2.56E+03 8.75E+03 935 1.51E+03 7.48E+04 2.91E+04 1.24E+04 7.28E+03 1.12E+04 1.54E+03 1.52E+03 1.29E+05 1.14E+04 1.36E+05 3.56E+05 4.73E+04 1.23E+04 4.76E+03 5.45E+03 1.45E+03 3.2E+04 1.03E+03 5.1E+04 6.69E+04 5.71E+03 1.04E+05 1.23E+03 7.48E+04 2.71E+04 6.61E+04 1.99E+03 3.36E+03 3.74E+03 O-Propanoylcarnitine_3 2.95E+04 1.96E+03 6.84E+04 2.59E+03 1.72E+04 9.47E+03 1.78E+05 2.39E+05 3.68E+03 1.33E+04 1.55E+04 4.46E+03 2.03E+06 2.31E+03 3.69E+05 8.74E+03 1.32E+04 1.61E+05 3.71E+03 3.24E+03 1.46E+03 3.17E+03 1.23E+05 2.28E+03 1.08E+03 3.47E+03 1.4E+03 1.38E+03 0 1.75E+04 2.91E+03 5.97E+04 1.74E+05 6.32E+04 1.14E+04 5.73E+03 1.34E+04 1.69E+03 1.29E+04 1.03E+03 1.85E+04 9.07E+04 1.11E+03 1.8E+04 672 8.93E+04 1.72E+04 4.66E+04 0 9.38E+03 1.79E+03 O-Propanoylcarnitine_4 1.04E+04 3.29E+03 3.68E+03 4.95E+03 8.29E+03 4.81E+03 9.14E+03 2.41E+03 4.98E+03 2.46E+03 3.01E+03 2.62E+03 1.03E+04 7.36E+03 2.04E+03 1.04E+04 3.7E+03 4.16E+03 1.31E+03 4.07E+03 2.68E+03 2.82E+03 5.33E+03 2.25E+03 2.26E+03 2.47E+03 3.2E+03 6.42E+03 4.76E+03 2.7E+03 3.51E+03 4.45E+03 3.8E+03 2.85E+03 2.76E+03 5.54E+03 2.15E+03 1.16E+03 4.86E+03 3.2E+03 3.73E+03 3.89E+03 2.43E+03 1.24E+03 7.71E+03 2.41E+03 2.42E+03 3.81E+03 3.66E+03 1.07E+03 1.74E+04 Orcinol 1.38E+05 2.14E+05 1.69E+05 2.67E+05 1.49E+05 2.69E+05 1.39E+05 4.42E+04 1.54E+05 1.88E+05 2.18E+05 3.2E+05 2.84E+05 4.45E+04 1.55E+05 3.96E+05 2.56E+05 1.67E+05 5.28E+04 1.05E+04 4.23E+05 3.09E+05 1.26E+05 1.96E+05 3.07E+05 3.78E+05 1.24E+05 1.87E+05 1.55E+05 1.92E+05 2.05E+05 3.92E+05 1.2E+05 7.7E+04 1.38E+04 1.82E+05 1.1E+05 3.36E+05 2.37E+05 1.6E+05 2.71E+05 8.6E+04 2.57E+05 2.43E+05 2.96E+05 2.94E+05 1.1E+05 1.4E+05 1.93E+05 1.44E+05 2.25E+05 Ornaline 6.61E+05 2.87E+05 3.38E+05 5.89E+05 2.04E+05 2.52E+05 3.77E+05 6.15E+04 3.08E+05 6.44E+05 5.99E+05 2.44E+05 3.23E+05 3.98E+05 1.52E+05 2.85E+05 9.02E+04 2.28E+05 1.02E+05 2.85E+04 4.88E+05 3.01E+05 3.21E+05 6.98E+05 5.9E+05 3.28E+05 1.59E+05 1.91E+05 2.88E+05 2.14E+05 1.43E+05 5.51E+05 2.07E+05 4.88E+04 9.29E+04 9.42E+04 5.68E+05 5.13E+05 1.92E+05 4.86E+05 1.3E+05 3.19E+05 2.77E+05 2.1E+05 2.6E+05 4.64E+05 8.85E+05 1.68E+05 2.08E+05 2.2E+05 5.82E+05 Otonecine_1 6.5E+06 2.75E+06 6.88E+06 2.46E+06 4.21E+06 6.46E+06 8.4E+06 8.83E+06 4.08E+06 4.07E+06 5.65E+06 2.18E+06 2.21E+07 2.97E+06 1.79E+07 5.55E+06 3.22E+06 1.45E+07 2.61E+06 6.36E+06 1.39E+06 2.54E+06 1.49E+07 2.1E+06 9.72E+06 6.16E+06 5.06E+06 5.09E+06 1.1E+07 6.19E+06 5.94E+06 1.94E+07 2.07E+07 8.25E+06 6.23E+06 7.95E+06 3.04E+06 1.72E+06 1.66E+07 6.87E+06 5.83E+06 1.02E+07 3.23E+06 1.88E+07 1.76E+06 7.26E+06 4.39E+06 7.4E+06 3.49E+06 1.77E+06 4.68E+06 Otonecine_2 2E+06 5.26E+05 2.1E+06 6.42E+05 1.61E+06 9.07E+05 2.88E+06 6.63E+05 1.54E+06 9.56E+05 6.53E+05 1.11E+05 2.48E+06 6.29E+05 5.76E+05 9.38E+05 1.07E+06 6.29E+05 8.25E+05 6.25E+05 8.26E+05 5.46E+05 8.49E+05 1.71E+06 8.24E+05 6.45E+05 1.15E+06 2.27E+05 5.48E+05 9.22E+05 1.13E+06 1.14E+06 8.15E+05 2.06E+06 8.16E+05 3.12E+05 1.32E+06 1.06E+06 5.71E+05 1.21E+06 5.25E+05 4.74E+06 6.89E+05 7.48E+05 2.86E+05 8.38E+05 1.18E+06 3.38E+05 9.02E+05 4.22E+05 1.57E+06 O-Ureido-L-serine 1.33E+04 3.23E+03 8.4E+03 3.53E+03 3.66E+03 3.68E+03 3.24E+03 5.49E+03 3.06E+03 3.78E+03 1.34E+04 2.25E+03 2.81E+03 2.49E+03 5.75E+03 2.73E+03 2.68E+03 3.37E+03 2.99E+03 1.31E+04 3.21E+03 1.89E+03 3.5E+03 2.53E+03 3.5E+03 3.13E+03 6.18E+03 3.6E+03 3.31E+03 3.93E+03 8.12E+03 3.85E+03 3.79E+03 6.68E+03 3E+03 1.99E+03 9.35E+03 8.04E+03 6.36E+03 2.51E+03 3.12E+03 2.64E+03 3.48E+03 6.32E+03 3.53E+03 6.65E+03 2.83E+04 3.59E+03 3.04E+03 1.68E+03 3.21E+03 Oxidized Latia luciferin 1.51E+06 1.42E+06 1.3E+06 1.33E+06 1.46E+06 1.48E+06 1.14E+06 1.3E+06 1.61E+06 1.63E+06 1.37E+06 1.44E+06 1.36E+06 1.58E+06 1.34E+06 1.45E+06 1.65E+06 1.41E+06 1.42E+06 2.03E+06 1.46E+06 1.76E+06 1.37E+06 1.62E+06 1.47E+06 1.72E+06 1.43E+06 1.72E+06 1.59E+06 1.34E+06 1.44E+06 1.69E+06 2.19E+06 2.19E+06 1.94E+06 1.76E+06 1.96E+06 1.65E+06 1.72E+06 2.12E+06 1.62E+06 1.87E+06 1.59E+06 2.07E+06 1.76E+06 2.25E+06 1.54E+06 2.25E+06 1.63E+06 1.54E+06 1.42E+06 Pantothenate_1 9.64E+07 6.04E+07 6.93E+07 7.2E+07 9.57E+07 7.66E+07 6.12E+07 8.02E+07 6.55E+07 7.87E+07 6.26E+07 6.2E+07 6.7E+07 8.05E+07 6.73E+07 6.14E+07 9.47E+07 1.29E+08 6.38E+07 6.34E+07 8.15E+07 6.09E+07 8.97E+07 5.9E+07 1.11E+08 6.48E+07 7.53E+07 6.15E+07 6.78E+07 6.49E+07 7.54E+07 1.27E+08 9.44E+07 6.25E+07 7.2E+07 7.74E+07 7.36E+07 7.83E+07 8.98E+07 8.41E+07 7.89E+07 6.35E+07 4.79E+07 8.22E+07 5.9E+07 6.53E+07 1.11E+08 1.66E+08 6.81E+07 5.83E+07 8E+07 Pantothenate_2 4.36E+06 3.94E+06 3.76E+06 3.94E+06 3.05E+06 3.48E+06 5.11E+06 6.65E+06 3.45E+06 2.56E+06 2.88E+06 2.72E+06 5.18E+06 3.27E+06 4.58E+06 3.19E+06 4.59E+06 5.33E+06 2.99E+06 4.19E+06 2.93E+06 2.05E+06 3.42E+06 2.37E+06 5.58E+06 3.6E+06 2.8E+06 3.12E+06 2.45E+06 3.62E+06 4.13E+06 4.37E+06 4.02E+06 2.15E+06 4.22E+06 4.72E+06 2.72E+06 2.61E+06 5.22E+06 2.08E+06 5.04E+06 2.12E+06 2.04E+06 2.73E+06 2.15E+06 4.27E+06 4.71E+06 5.08E+06 2.75E+06 2.34E+06 3.4E+06 Paramethadione_1 1.25E+06 1.74E+06 4.15E+06 1.84E+06 2.08E+06 2.22E+06 3.29E+06 6.17E+06 1.94E+06 2.87E+06 4.76E+06 1.9E+06 4.56E+06 3.28E+06 6.02E+06 3.42E+06 2.25E+06 4.51E+06 1.49E+06 2.21E+06 1.1E+06 9.5E+05 5.09E+06 1.68E+06 2.54E+06 1.55E+06 2.35E+06 1.44E+06 1.36E+06 4.43E+06 2.29E+06 4.09E+06 5.35E+06 1.55E+06 2.34E+06 2.91E+06 1.34E+06 9.49E+05 2.47E+06 1.43E+06 4.7E+06 8.64E+05 1.45E+06 4.75E+06 1.06E+06 3.75E+06 2.8E+06 5.43E+06 1.02E+06 2.62E+06 1.14E+06 Paramethadione_2 2.26E+06 1.61E+05 1.52E+06 1.36E+06 7.55E+05 4.81E+05 3.78E+05 5.77E+05 4.98E+05 1.39E+06 1.36E+06 1.4E+06 5.36E+05 4.42E+05 6.46E+05 3.95E+05 8.87E+05 7.02E+05 1.74E+06 8.26E+05 2.07E+05 8.3E+05 2.19E+05 9.97E+05 7.66E+05 4.05E+05 5.44E+05 4.08E+05 5.52E+05 7.18E+05 5.75E+05 8E+05 5.11E+05 2.28E+05 5.06E+05 5.69E+05 1.08E+06 1.34E+06 2.68E+05 4.3E+05 8.38E+05 4.1E+05 2.03E+05 4.4E+04 7.49E+05 8.98E+05 1.56E+06 6.63E+05 4.34E+05 3.76E+05 3.92E+05 Paramethadione_3 1.38E+05 2.86E+05 2.93E+05 6.54E+05 7.78E+05 8.6E+05 3.75E+05 7.41E+05 3.62E+05 2.18E+05 3.16E+05 2.35E+05 7.2E+05 8.47E+05 7.87E+05 3.24E+05 2.42E+05 3.43E+05 1.47E+05 9.24E+05 1.21E+05 2.52E+05 1.53E+05 2.68E+05 6.74E+05 2.58E+05 2.39E+05 2.27E+05 1.82E+05 1.93E+05 2.38E+05 2.8E+05 2.93E+05 3.26E+05 2.77E+05 2.75E+05 1.75E+05 2.73E+05 5.46E+05 3.02E+05 6.68E+05 2.03E+05 2.39E+05 6.29E+05 2.11E+05 2.19E+05 2.97E+05 2.07E+05 2.77E+05 7.15E+05 2.5E+05 Paramethadione_4 2.31E+05 7.42E+04 2.22E+05 7.22E+04 1.22E+05 1.99E+05 3.83E+05 1.4E+05 8.64E+04 6.53E+04 1.41E+05 3.78E+04 1.06E+06 1.3E+05 4.43E+05 1.56E+05 1.97E+05 4.18E+05 6.59E+04 2.94E+04 2.38E+04 5.27E+04 3.2E+05 4.83E+04 3.01E+05 2.63E+05 7.37E+04 3.01E+04 9.25E+04 2.14E+05 9.84E+04 5.95E+05 8.9E+05 8.7E+04 3.13E+05 1.37E+05 7.33E+04 1.55E+04 2.41E+05 6.29E+04 2.26E+05 2E+05 1.76E+05 3.52E+05 1.61E+04 1.21E+05 9.2E+04 1.05E+05 9.77E+04 6.3E+04 1.33E+05 p-Benzoquinone_1 8.25E+06 8.45E+06 6.83E+06 6.9E+06 6.72E+06 8.99E+06 9.08E+06 6.34E+06 6.55E+06 5.99E+06 8.59E+06 6.83E+06 5.92E+06 8.05E+06 9.54E+06 7.22E+06 7.99E+06 6.07E+06 5.64E+06 8.48E+06 5.96E+06 7.37E+06 5.56E+06 8.14E+06 7.78E+06 1.21E+07 7.86E+06 8.04E+06 8.52E+06 7.77E+06 8.08E+06 9.14E+06 6.57E+06 8.01E+06 8.08E+06 9.41E+06 9.25E+06 1.11E+07 9.76E+06 8.45E+06 7.8E+06 1E+07 6.37E+06 8.71E+06 6.84E+06 8.81E+06 7.1E+06 6.52E+06 8.3E+06 6.26E+06 7.26E+06 p-Benzoquinone_2 1.06E+06 2.03E+06 2.69E+06 1.68E+06 1.89E+06 1.44E+06 2.09E+06 5.33E+06 1.58E+06 3.13E+06 6.38E+06 8.99E+05 2.24E+06 6.2E+06 4.66E+06 3.39E+06 2.42E+06 3.64E+06 1.79E+06 1.64E+06 1.75E+06 1.16E+06 4.55E+06 8.46E+05 4.98E+06 1.98E+06 3.14E+06 1.45E+06 2.54E+06 5.76E+06 3.23E+06 4.09E+06 3.48E+06 1.33E+06 2.59E+06 1.67E+06 9.09E+05 1.52E+06 2.63E+06 2.08E+06 4.6E+06 8.12E+05 1.38E+06 4.74E+06 8.66E+05 4.67E+06 3.35E+06 3.09E+06 1.08E+06 3.34E+06 9.07E+05 p-Benzosemiquinone 1.45E+05 7.67E+03 1.86E+04 2.2E+04 3.55E+03 3.64E+03 4.33E+04 1.61E+03 2.6E+03 2.57E+03 9.69E+03 3.69E+03 910 2.24E+03 6.52E+03 0 1.93E+03 1.66E+03 3.74E+03 3.65E+03 0 1.78E+03 1.75E+03 3.8E+03 1.61E+03 1.61E+03 0 1.76E+03 4.23E+03 1.66E+03 2.54E+03 2.15E+03 2.21E+03 5.41E+03 1.57E+03 0 2.51E+03 1.54E+03 2.47E+03 0 3.49E+03 1.73E+03 3.2E+03 0 2.8E+03 0 2.29E+05 1.62E+03 1.36E+03 0 9.94E+04 p-Cumate 2.11E+06 1.29E+05 3.05E+03 1E+06 1.55E+06 1.08E+06 1.13E+04 1.79E+06 5.19E+05 5.38E+05 3.84E+03 3.63E+07 6.73E+07 1.68E+06 7.32E+05 3.64E+06 2.56E+05 3.31E+06 6.47E+05 1.83E+06 6.13E+04 1.3E+06 2.2E+04 3.99E+06 5.84E+05 2.72E+06 3.61E+06 1.21E+06 2.7E+06 4.04E+04 3.3E+06 2.17E+06 7.61E+04 4.27E+05 9.24E+06 5.7E+05 2.29E+06 8E+06 4.89E+06 1.29E+04 3E+06 2.77E+06 2.76E+05 5.78E+06 4.32E+06 1.19E+05 2.16E+06 9.5E+06 1.51E+07 3.08E+06 3.94E+07 Peganine 7.48E+05 3.57E+05 5.2E+05 3.8E+05 6.38E+05 6.46E+05 8.76E+05 1.34E+05 4.15E+05 2.81E+05 2.56E+05 1.25E+06 6E+05 2.75E+05 1.26E+05 5.42E+05 7.29E+05 3.35E+05 3.04E+05 2.36E+05 5.51E+05 1.55E+06 2.42E+05 1.02E+06 2.78E+05 6.5E+05 2.28E+04 1.48E+05 9.17E+05 3.5E+05 1.26E+05 2.82E+05 4.98E+05 1.56E+06 9.47E+04 2.12E+05 1.37E+06 4.62E+05 6.92E+05 3.99E+05 8.82E+05 1.72E+06 8.17E+05 9.28E+04 1.49E+06 4.82E+05 1.08E+06 5.66E+05 7.31E+05 3.52E+05 6.85E+05 Penitrem D_1 2.29E+07 6.11E+06 7.04E+06 5.33E+06 5.37E+06 5.56E+06 3.92E+06 4.9E+05 6.82E+06 5.49E+06 3.24E+06 6.56E+06 1.07E+06 1.19E+07 2.24E+06 1.21E+07 1.28E+07 4.64E+06 3.84E+06 4.46E+06 7.4E+06 2.69E+07 8.46E+06 4.35E+06 3.42E+06 4.87E+06 4.86E+06 7.25E+06 4.81E+06 1.03E+07 1.1E+07 5.41E+06 3.58E+06 1.15E+07 6.54E+06 9.53E+06 8.47E+06 1.17E+07 1.9E+07 2.83E+06 1.73E+07 6.48E+06 6.54E+06 4.34E+06 7.21E+06 1.49E+07 3.68E+07 8.45E+06 1.18E+07 1.59E+07 6.24E+06 Penitrem D_2 1.23E+06 3.03E+04 1.24E+04 2.04E+05 2.92E+04 1.01E+05 1.23E+06 1.24E+05 1.19E+05 3.1E+05 3.18E+05 2.32E+04 5.35E+04 3.5E+05 1.54E+05 1.76E+05 1.09E+05 3.5E+04 4.72E+04 1.73E+05 1.49E+05 2.75E+05 3.97E+05 1.68E+05 6.27E+05 8.47E+04 1.09E+05 4.64E+04 1.62E+05 9.93E+04 2.52E+05 1.18E+05 9.57E+04 4.07E+05 1.28E+05 2.13E+05 2.5E+05 4.76E+04 2.52E+04 3.95E+05 4.69E+05 3.44E+05 8.58E+04 4.59E+05 2.47E+04 1.18E+05 1.01E+05 2.44E+05 2.61E+05 8.98E+04 2.63E+05 Pentachloroethane 2.7E+06 2.53E+06 2.65E+06 2.75E+06 2.56E+06 2.64E+06 2.68E+06 1.88E+06 2.56E+06 2.88E+06 2.56E+06 2.78E+06 2.48E+06 2.65E+06 2.64E+06 2.54E+06 2.54E+06 2.82E+06 2.98E+06 2.63E+06 2.07E+06 2.95E+06 2.54E+06 2.65E+06 2.39E+06 2.58E+06 2.55E+06 2.69E+06 2.57E+06 2.78E+06 2.67E+06 2.72E+06 2.55E+06 2.56E+06 2.53E+06 2.65E+06 2.71E+06 2.46E+06 2.59E+06 2.46E+06 2.62E+06 3.03E+06 2.33E+06 2.74E+06 2.84E+06 2.51E+06 2.58E+06 2.33E+06 2.71E+06 2.45E+06 2.5E+06 Pentanamide 1.47E+07 1.59E+07 1.12E+07 1.21E+07 7.93E+06 9.77E+06 1.2E+07 7.76E+06 1.19E+07 6.06E+06 1.54E+07 1.91E+07 1.24E+07 7.81E+06 6.68E+06 7.39E+06 1.2E+07 1.34E+07 1.03E+07 1.19E+07 1.61E+07 1.42E+07 5.4E+06 1.38E+07 6.25E+06 1.15E+07 1.14E+07 1.6E+07 1.07E+07 7.28E+06 1.13E+07 9.67E+06 6.02E+06 1.4E+07 1.09E+07 9.24E+06 1.39E+07 1.23E+07 8.29E+06 8.19E+06 8.47E+06 1.06E+07 1.94E+07 6.09E+06 1.24E+07 5.9E+06 9.31E+06 2.52E+06 1.4E+07 9.27E+06 9.78E+06 Phenacetin 1E+06 2.85E+04 2.17E+05 7.77E+04 6.47E+04 2.57E+05 1.92E+05 1.28E+05 8.74E+04 1.52E+05 1.29E+05 1.49E+05 1.87E+04 2.18E+06 9E+05 1.3E+05 2.66E+05 1.77E+05 3.47E+05 1.68E+05 1.22E+05 5.89E+05 2.32E+05 2.52E+05 2.42E+04 7.4E+04 1.4E+05 5.92E+04 7.04E+03 1.71E+06 1.04E+06 1.6E+05 1.18E+05 6.32E+04 6.36E+05 7.07E+04 9.32E+04 2.44E+05 1.79E+05 7.99E+04 7.3E+05 3E+05 1.55E+05 4.82E+05 6.69E+05 2.28E+04 4.07E+04 7.53E+04 2.43E+05 3.01E+04 1.38E+06 Phendimetrazine_1 3.85E+06 3.6E+06 3.34E+06 3.61E+06 3.33E+06 3.51E+06 3.53E+06 3.88E+06 3.74E+06 3.69E+06 3.36E+06 3.65E+06 3.72E+06 3.86E+06 3.77E+06 3.59E+06 3.72E+06 3.41E+06 3.41E+06 3.82E+06 3.66E+06 3.45E+06 3.26E+06 3.75E+06 3.54E+06 3.31E+06 3.49E+06 3.34E+06 3.55E+06 3.4E+06 3.76E+06 3.14E+06 2.56E+06 3.62E+06 3.28E+06 3.48E+06 3.31E+06 3.43E+06 1.86E+06 3.41E+06 1.87E+06 3.26E+06 3.25E+06 3.42E+06 3.45E+06 3.07E+06 3.52E+06 2.33E+06 2.66E+06 3.26E+06 3.72E+06 Phendimetrazine_2 3.02E+05 3.1E+05 2.74E+05 2.79E+05 2.8E+05 2.74E+05 2.97E+05 2.45E+05 1.21E+05 2.94E+05 2.96E+05 7.2E+04 2.92E+05 2.9E+05 2.85E+05 2.51E+05 3.14E+05 3.38E+05 2.44E+05 2.82E+05 2.58E+05 2.39E+05 2.53E+05 2.79E+05 5.11E+05 2.71E+05 2.78E+05 2.33E+05 2.77E+05 2.69E+05 2.41E+05 3.13E+05 2.95E+05 2.26E+05 2.56E+05 2.55E+05 2.89E+05 3.31E+05 3.11E+05 2.44E+05 2.92E+05 2.5E+05 2.15E+05 3.16E+05 2.49E+05 2.81E+05 3.22E+05 2.53E+05 2.7E+05 2.61E+05 2.37E+05 Phenmetrazine 4.77E+06 4.65E+06 4.74E+06 4.84E+06 4.8E+06 4.74E+06 4.61E+06 5.13E+06 4.86E+06 5.05E+06 1.79E+06 4.84E+06 5.07E+06 4.99E+06 3.44E+06 4.96E+06 5.08E+06 4.76E+06 4.85E+06 4.84E+06 4.96E+06 4.98E+06 4.71E+06 5.04E+06 4.9E+06 4.83E+06 4.72E+06 4.71E+06 4.84E+06 3.74E+06 3.65E+06 4.88E+06 3.66E+06 4.54E+06 4.34E+06 4.58E+06 4.7E+06 4.51E+06 3.29E+06 4.63E+06 2.02E+06 4.47E+06 4.56E+06 4.51E+06 2.65E+06 4.52E+06 4.51E+06 3.61E+06 4.57E+06 2.8E+06 3.21E+06 Phenyl acetate 1.51E+05 1.2E+04 1.09E+04 5.61E+03 1.43E+04 1.31E+04 1.06E+04 6.29E+03 1.36E+04 1.74E+04 6.73E+03 8.89E+03 2.92E+04 3.69E+04 2.9E+04 3.27E+04 1.97E+04 1E+04 2.32E+04 4.96E+04 1.96E+04 1.06E+05 1.91E+04 2.63E+04 7.35E+03 7.29E+03 8.78E+03 9.84E+03 1.45E+04 1.41E+05 1.27E+05 1.93E+04 1.16E+04 5.22E+04 4.08E+04 1.59E+04 1.89E+04 7.91E+03 1.72E+04 2.06E+04 7.24E+04 3.09E+03 9.7E+03 1.42E+04 9.05E+04 3.32E+04 2.96E+04 1.71E+04 2.78E+04 1.21E+04 1.16E+05 Phenylacetylglutamine 1.53E+07 1.04E+07 6.63E+06 1.33E+06 1.77E+06 8.79E+06 4.04E+06 7.19E+05 2.19E+06 1.09E+06 1.6E+06 1.22E+07 5.81E+06 1.35E+06 6.66E+05 1.17E+06 1.62E+06 7.08E+06 2.95E+06 1.02E+06 1.56E+07 7.41E+06 4.69E+06 1.22E+07 2.39E+06 1.82E+06 2.66E+06 2.78E+06 1.11E+07 2.23E+06 5.65E+05 7.64E+06 3.52E+06 1.58E+06 1.13E+06 9.47E+05 6.59E+06 1.03E+06 1.54E+06 1.4E+07 5.91E+06 6.64E+06 5.15E+06 3.99E+06 1.03E+07 8.31E+06 1.8E+06 5.16E+06 1.05E+06 3.76E+06 1.75E+07 Phenylhydrazine 2.54E+06 3.81E+06 4.94E+06 3.54E+06 2.4E+06 3.97E+06 3.11E+06 4.69E+06 3.53E+06 4.54E+06 5.34E+06 2.4E+06 6.81E+06 6.2E+06 5.13E+06 4.05E+06 2.59E+06 5.53E+06 2.14E+06 3.35E+06 4.35E+06 3.31E+06 1.14E+07 2.98E+06 3.84E+06 3.49E+06 3.26E+06 2.77E+06 4.26E+06 3.28E+06 3.38E+06 4.33E+06 6.62E+06 4.83E+06 2.86E+06 3.1E+06 2.5E+06 2E+06 6.24E+06 4.9E+06 3.18E+06 4.07E+06 4.29E+06 7.18E+06 3.22E+06 2.67E+06 2.86E+06 3.17E+06 3.49E+06 4.2E+06 5.16E+06 Phenylpyruvate 6.96E+07 4.85E+07 6.23E+07 4.48E+07 4.04E+07 3.94E+07 7.25E+07 3.23E+07 5.34E+07 3.03E+07 5.57E+07 5.78E+07 2.75E+07 4.89E+07 4.87E+07 4.1E+07 4.44E+07 5.11E+07 4.29E+07 4.54E+07 3.19E+07 2.53E+07 5.71E+07 3.05E+07 4.24E+07 6.34E+07 4.25E+07 3.94E+07 4.28E+07 4.13E+07 4.07E+07 3.97E+07 4.43E+07 5.33E+07 3.44E+07 3.79E+07 2.45E+07 2.46E+07 5.79E+07 4.71E+07 4.77E+07 5.08E+07 5.79E+07 5.78E+07 2.59E+07 2.8E+07 5.86E+07 4.74E+07 4.13E+07 4.6E+07 5.53E+07 Phosphoagmatine 2.28E+03 2.34E+03 2.07E+03 2.08E+03 1.69E+03 2.53E+03 2.04E+03 2E+03 2.77E+03 2.45E+03 5.41E+03 2.03E+03 2.16E+03 3.83E+03 8.63E+03 1.95E+03 2.26E+03 1.86E+03 2.42E+03 2.33E+03 2.15E+03 1.86E+03 1.3E+03 2.17E+03 2.1E+03 2.33E+03 2.15E+03 2.42E+03 2.03E+03 4.25E+03 4.15E+03 2.08E+03 2.24E+03 1.82E+03 3.92E+03 4.06E+03 2.11E+03 2.77E+03 2.15E+03 1.92E+03 1.94E+03 2.49E+03 1.82E+03 2.97E+03 1.7E+03 1.76E+03 3.2E+03 0 2.16E+03 0 2.65E+03 Phosphodimethylethanolamine 5.29E+05 6.53E+05 5.92E+05 5.98E+05 6.56E+05 7.3E+05 5.26E+05 4.25E+05 6.86E+05 4.46E+05 5.84E+05 5.93E+05 7.55E+05 3.64E+05 7.36E+05 4.91E+05 4.62E+05 5.27E+05 4.87E+05 4.98E+05 4.87E+05 2.2E+05 5.5E+05 5.14E+05 1.81E+05 2.66E+05 1.92E+05 1.76E+05 1.64E+05 1.66E+05 3.41E+05 1.56E+05 2.15E+05 2.04E+05 4E+05 2.25E+05 2.77E+05 2.45E+05 4.15E+05 3.49E+05 2.74E+05 3.7E+05 4.45E+05 4.65E+05 4.87E+05 4.83E+05 4.37E+05 2.17E+05 3.35E+05 2.53E+05 4.8E+05 Phthalate 4.38E+05 5.67E+05 6E+05 5.59E+05 5.49E+05 5.23E+05 4.46E+05 6.96E+05 5.79E+05 5.84E+05 5.05E+05 5.68E+05 6.14E+05 5.57E+05 6.25E+05 5.04E+05 4.73E+05 5.73E+05 5.87E+05 5.92E+05 5.19E+05 3.21E+05 5.83E+05 5.74E+05 5.39E+05 5.75E+05 6.6E+05 6.17E+05 5E+05 4.97E+05 4.79E+05 5.56E+05 6.22E+05 5.22E+05 5.13E+05 5.8E+05 6.39E+05 4.73E+05 6.31E+05 6.57E+05 4.31E+05 5.95E+05 5.6E+05 5.7E+05 5.07E+05 4.52E+05 4.02E+05 5.6E+05 5.29E+05 5.01E+05 5.09E+05 Phytuberin_1 1.18E+07 1.26E+07 1.26E+07 1.18E+07 1.23E+07 1.25E+07 1.15E+07 1.3E+07 1.26E+07 1.27E+07 1.19E+07 1.25E+07 1.28E+07 1.23E+07 1.26E+07 1.08E+07 1.24E+07 1.24E+07 1.22E+07 1.22E+07 1.2E+07 1.15E+07 1.21E+07 1.22E+07 1.16E+07 1.19E+07 1.15E+07 1.14E+07 1.17E+07 1.17E+07 1.18E+07 1.14E+07 1.12E+07 1.16E+07 1.1E+07 1.1E+07 1E+07 1.09E+07 9.54E+06 1.1E+07 1.04E+07 1.12E+07 1.13E+07 1.12E+07 1.1E+07 1.1E+07 1.13E+07 1.09E+07 1.11E+07 1.1E+07 1.2E+07 Phytuberin_2 9.72E+05 9.36E+05 9.76E+05 9.49E+05 1.08E+06 1.03E+06 9E+05 1.02E+06 9.36E+05 1.04E+06 9.21E+05 6.47E+05 1.05E+06 9.99E+05 9.56E+05 1.01E+06 8.6E+05 9.02E+05 9.65E+05 1.02E+06 7.22E+05 8.27E+05 1.07E+06 1.03E+06 8.55E+05 8.47E+05 8.5E+05 8.68E+05 9.07E+05 7.63E+05 6.24E+05 8.69E+05 9E+05 8.92E+05 7.83E+05 8.01E+05 8.02E+05 8.16E+05 7.27E+05 8.76E+05 8.68E+05 8.95E+05 8.6E+05 7.62E+05 8.73E+05 6.28E+05 8.36E+05 8.25E+05 7.58E+05 7.31E+05 8.97E+05 Piperidine_1 2.05E+08 1.87E+08 1.85E+08 1.6E+08 1.47E+08 1.44E+08 1.91E+08 1.08E+08 1.65E+08 1.39E+08 1.72E+08 2E+08 1.62E+08 1.48E+08 1.66E+08 1.42E+08 1.48E+08 1.72E+08 1.33E+08 1.56E+08 1.25E+08 1.11E+08 1.75E+08 1.31E+08 1.32E+08 1.44E+08 1.55E+08 1.42E+08 1.4E+08 1.49E+08 1.45E+08 1.4E+08 1.53E+08 1.78E+08 1.23E+08 1.48E+08 1.12E+08 1.15E+08 1.87E+08 1.66E+08 1.43E+08 1.97E+08 1.38E+08 1.78E+08 1.1E+08 1.07E+08 1.87E+08 1.57E+08 1.28E+08 1.45E+08 2.12E+08 Piperidine_2 1.37E+08 1.24E+08 1.14E+08 1.13E+08 9.33E+07 9.55E+07 1.17E+08 6.88E+07 1.04E+08 7.93E+07 1.13E+08 1.37E+08 9.36E+07 9.49E+07 1.16E+08 1.05E+08 9.45E+07 1.12E+08 8.8E+07 1.04E+08 7E+07 6.55E+07 1.12E+08 8.7E+07 9.04E+07 9.6E+07 1.15E+08 8.97E+07 8.75E+07 9.64E+07 1.01E+08 8.65E+07 1E+08 1.12E+08 8.88E+07 8.87E+07 7.56E+07 7.04E+07 1.3E+08 9.97E+07 7.45E+07 1.25E+08 7.96E+07 1.21E+08 6.99E+07 5.97E+07 9.57E+07 1.07E+08 8.31E+07 9.03E+07 1.21E+08 Piperidione_1 4.96E+05 3.05E+05 8.14E+05 2.89E+05 5.97E+05 4.46E+05 4.95E+05 5.02E+05 4.41E+05 1.35E+06 8.53E+05 2.95E+05 4.92E+05 5.17E+05 6.06E+05 8.25E+05 6.03E+05 5.44E+05 3.95E+05 7.56E+05 4.64E+05 4.49E+05 5.08E+05 3.01E+05 5.89E+05 3.53E+05 4.63E+05 2.16E+05 5.21E+05 4.88E+05 4.06E+05 4.22E+05 7.93E+05 4.87E+05 6.29E+05 5.33E+05 4.37E+05 5.5E+05 4.03E+05 4.51E+05 4.01E+05 4.3E+05 5.94E+05 3.75E+05 3.72E+05 5.06E+05 3.83E+05 7.14E+05 4.45E+05 5.62E+05 3.92E+05 Piperidione_2 2.68E+05 1.79E+05 2.74E+05 7.6E+04 2.36E+05 2.45E+05 3.25E+05 5.64E+04 2.34E+05 2.26E+05 2.38E+05 1.81E+05 2.74E+05 2.66E+05 2.01E+05 1.08E+05 2.47E+05 3.49E+05 1.52E+05 6.82E+04 1.77E+05 1.75E+05 3.16E+05 1.18E+05 3.49E+05 1.26E+05 1.95E+05 1.4E+05 1.85E+05 1.38E+05 1.46E+05 2.56E+05 2.12E+05 2.44E+05 1.74E+05 1.01E+05 1.02E+05 2.66E+05 2.13E+05 2.47E+05 1.56E+05 1.87E+05 1.72E+05 1.62E+05 1.57E+05 1.76E+05 2.93E+05 3.69E+05 2.23E+05 1.48E+05 2.81E+05 Piperidione_3 3.67E+05 2.72E+05 5.35E+05 2.89E+05 3.88E+05 3.36E+05 5.73E+05 1.21E+05 2.63E+05 2.87E+05 5.63E+05 2.63E+05 3.43E+05 3.26E+05 2.77E+05 3.01E+05 2.12E+05 4.63E+05 8.74E+04 1.81E+05 1.61E+04 1.36E+05 3.68E+05 6.46E+04 3.48E+05 1.43E+05 1.63E+05 9.22E+04 1.81E+05 2.27E+05 1.24E+05 2.2E+05 1.86E+05 5.44E+04 7.39E+04 1.08E+04 3.74E+04 1.16E+05 4.01E+04 1.54E+05 1.13E+05 1.37E+05 2.63E+04 1.15E+05 2.02E+04 6.58E+04 6.17E+05 1.71E+05 7.48E+04 2.54E+04 5.15E+05 Piperidione_4 4.83E+03 4.75E+03 4.88E+03 2.52E+03 2.79E+03 2.87E+03 4.37E+03 5.92E+03 2.51E+03 4.69E+03 1.38E+03 2.62E+03 2.48E+03 4.8E+03 4.12E+03 2.5E+03 5.44E+03 2.26E+03 3.22E+03 2.19E+03 2.95E+03 2.83E+03 2.85E+03 1.17E+03 2.13E+03 3.98E+03 1.95E+03 2.59E+03 1.96E+03 5.37E+03 2.48E+03 2.09E+03 2.65E+03 2.53E+03 2.34E+03 2.4E+03 4.79E+03 2.44E+03 2.69E+03 2.56E+03 2.2E+03 3.47E+03 2.11E+03 1.08E+03 3.56E+03 2.38E+03 2.43E+03 3.64E+03 2.52E+03 4.54E+03 2.38E+03 Pirbuterol 2.29E+06 2.3E+06 4.47E+06 1.55E+06 1.28E+06 2.32E+06 2.56E+06 1.24E+06 1.57E+06 1.71E+06 1.95E+06 2.27E+06 3.66E+06 2.06E+06 1.87E+06 1.68E+06 2.24E+06 1.99E+06 4.67E+06 1.8E+06 1.78E+06 2.12E+06 2.35E+06 1.65E+06 2.79E+06 1.52E+06 6.14E+05 1.46E+06 1.47E+06 2.15E+06 1.55E+06 1.73E+06 1.88E+06 9.38E+05 1.61E+06 1.24E+06 1.47E+06 1.42E+06 1.72E+06 1.45E+06 1.16E+06 1.92E+06 1.32E+06 1.31E+06 1.44E+06 1.8E+06 4.68E+06 1.25E+06 1.36E+06 9.84E+05 5.07E+06 Pirimicarb 8.69E+06 1.19E+06 9.41E+06 5.33E+06 8.72E+06 8.09E+06 8.31E+06 8.52E+06 8.89E+06 9.05E+06 9.68E+06 9.8E+05 8.37E+06 8.88E+06 8.31E+06 8.95E+06 8.74E+06 8.33E+06 7.8E+06 8.68E+06 7.72E+06 7.59E+06 8.26E+06 2.14E+06 7.99E+06 7.71E+06 7.55E+06 8.86E+05 8.25E+06 7.72E+06 7.68E+06 7.27E+06 7.81E+06 7.09E+06 7.3E+06 7.01E+06 7.35E+06 7.22E+06 7.31E+06 7.26E+06 7.48E+06 7.1E+06 7.41E+06 7.3E+06 6.98E+06 7.65E+06 9.61E+06 7.21E+06 6.94E+06 6.85E+06 8.04E+06 Porphobilinogen 5.52E+05 9E+04 1.21E+05 1.97E+05 2.26E+05 6.99E+04 1.47E+05 1.53E+05 2.86E+05 1.24E+05 1.8E+05 1.13E+05 1.39E+05 7.63E+05 4.76E+05 1.61E+05 1.57E+05 4.35E+05 1.13E+05 1.3E+05 1.34E+05 3.15E+05 4.65E+05 2.08E+05 8.56E+05 9.61E+04 1.49E+05 9.9E+04 1.64E+05 8.97E+05 8E+05 4.25E+05 2.81E+05 1.19E+05 4.55E+05 9.91E+04 1.62E+05 1.67E+05 1.02E+05 5.47E+05 5.34E+05 1.71E+05 9.68E+04 2.57E+05 2.98E+05 9.54E+05 1.86E+05 1.18E+05 1.3E+05 1.63E+05 1.07E+06 Precocene II 6.29E+06 6.67E+06 5.79E+06 6.11E+06 6.72E+06 6.81E+06 5.08E+06 7.54E+06 7.12E+06 7.15E+06 6.31E+06 7.12E+06 6.91E+06 7.26E+06 6.9E+06 7.09E+06 7.15E+06 7.07E+06 6.9E+06 7.08E+06 7.02E+06 6.64E+06 7.06E+06 6.97E+06 6.91E+06 7.05E+06 6.98E+06 6.61E+06 6.68E+06 6.42E+06 6.94E+06 6.7E+06 6.51E+06 6.81E+06 6.63E+06 6.45E+06 6.47E+06 6.55E+06 6.26E+06 6.65E+06 6.49E+06 6.55E+06 6.56E+06 6.59E+06 6.58E+06 6.73E+06 6.28E+06 6.57E+06 6.59E+06 6.87E+06 6.38E+06 Prekinamycin 0 0 0 0 0 0 0 0 973 0 0 0 0 0 0 1.13E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 887 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Prenol 1.54E+03 1.99E+03 1.46E+03 2.93E+03 2.4E+03 1.68E+03 2.06E+03 2E+03 1.38E+03 2.11E+03 781 1.74E+03 2.93E+03 1.87E+03 1.51E+03 1.62E+03 1.69E+03 1.46E+03 1.96E+03 1.81E+03 1.35E+03 1.51E+03 1.89E+04 2.42E+03 1.84E+03 2.9E+03 1.68E+03 1.32E+03 1.46E+03 2.44E+03 1.67E+03 2.65E+03 2.19E+03 7.89E+04 1.36E+03 1.63E+03 1.68E+03 1.86E+03 1.89E+03 1.93E+03 1.27E+03 1.72E+03 1.4E+03 2.95E+03 1.56E+03 3.18E+03 2.18E+03 9.36E+03 3.57E+04 1.98E+03 2.47E+03 Prenyl caffeate 2.9E+03 1.09E+03 4.64E+03 4.29E+03 1.19E+04 2.15E+03 4.59E+03 1.56E+03 1.94E+03 2.98E+03 1.79E+03 1.96E+03 2.3E+03 1.18E+03 3.73E+03 2.94E+03 2.43E+04 2.48E+03 2.69E+03 3.04E+03 2.93E+03 2.92E+03 1.72E+03 2.39E+03 3.81E+03 4.61E+03 2.28E+03 6.25E+03 6.22E+03 6.35E+03 5.34E+03 2.94E+03 3.95E+03 4.15E+03 3.68E+03 2.53E+03 2.44E+03 2.49E+03 2.54E+03 2E+03 3.62E+03 2.22E+03 5.89E+03 1.81E+03 7.23E+03 1.71E+03 1.04E+04 2.39E+03 9.08E+03 3.22E+03 4.09E+03 Propanoate 1.93E+07 3.02E+06 1.83E+06 2.16E+06 2.65E+06 1.06E+06 4.17E+06 2.5E+06 2.82E+06 2.69E+06 2.55E+06 1.49E+06 4.77E+06 1.19E+07 1.26E+07 2.57E+06 2.1E+06 2.36E+06 3.76E+06 1.98E+06 1.16E+06 1.49E+07 1.05E+06 3.03E+06 1.23E+06 1.91E+06 2.05E+06 1.04E+06 3.41E+06 1.89E+07 9.32E+06 1.85E+06 2.96E+06 4.03E+06 6.63E+06 1.66E+06 1.19E+06 3.31E+06 4.21E+06 1.44E+06 7.21E+06 5.8E+06 1.67E+06 1.85E+06 1.05E+07 1.61E+06 4.38E+06 8.62E+05 1.12E+06 1.86E+06 7.78E+06 Propyl cinnamate 2.99E+03 2.53E+03 2.17E+04 4.11E+03 1.69E+04 2.48E+04 1.49E+03 1.96E+03 2.33E+04 7.52E+03 1.86E+03 2.04E+03 2.13E+04 1.41E+04 2.52E+04 2.08E+04 4.24E+04 1.05E+04 2.1E+03 1.99E+03 6.25E+03 7.75E+03 2.95E+03 2.81E+03 0 8.97E+03 4.66E+03 3.14E+04 2.28E+03 3.49E+03 2.71E+04 2.14E+03 2.08E+04 1.04E+04 1.81E+04 1.52E+04 2.34E+03 2.51E+03 1.32E+04 3.03E+03 0 7.67E+03 2.26E+03 1.13E+04 5.04E+03 1.94E+03 5.29E+03 0 5.83E+03 8.28E+03 3.96E+04 Protoanemonin 3.15E+07 3.38E+07 2.51E+07 2.58E+07 2.45E+07 3.44E+07 3.63E+07 2.32E+07 2.41E+07 2.24E+07 3.38E+07 2.41E+07 2.12E+07 3.1E+07 3.69E+07 2.69E+07 2.98E+07 2.14E+07 1.92E+07 3.01E+07 2.17E+07 2.64E+07 2.03E+07 2.92E+07 2.9E+07 4.52E+07 2.97E+07 2.81E+07 3.03E+07 2.79E+07 2.94E+07 3.36E+07 2.34E+07 2.9E+07 2.99E+07 3.25E+07 3.21E+07 4.15E+07 3.61E+07 3.09E+07 2.87E+07 3.63E+07 2.26E+07 3.18E+07 2.4E+07 3.31E+07 2.96E+07 2.44E+07 3.12E+07 2.33E+07 2.89E+07 Pseudopelletierine 1.54E+06 2.46E+05 4E+06 8.28E+05 1.18E+06 2.41E+05 2.36E+06 2.08E+06 1.03E+06 4.48E+06 2.14E+06 7.91E+05 9.51E+05 2.54E+06 1.72E+06 2.49E+06 7.72E+05 4E+06 1.02E+06 4.32E+05 1.2E+06 1.59E+06 9.97E+05 1.13E+06 4.1E+05 5.77E+05 1.18E+06 1.17E+06 8.08E+05 1.69E+06 4.68E+05 8.96E+05 2.68E+06 1.11E+06 3.67E+05 7.58E+04 1.11E+06 2.9E+06 5.44E+05 1.15E+06 2.17E+06 7.12E+05 1.44E+06 2.62E+06 9.11E+05 9.26E+05 1.28E+06 2.14E+06 8.03E+05 1.14E+06 1.15E+06 Pulcherriminic acid 5.23E+06 1.65E+07 1.95E+07 5.92E+06 1.11E+07 1.95E+07 1.8E+07 6.85E+06 1.74E+07 8.28E+06 4.41E+06 2.1E+07 1.41E+07 2E+07 1.49E+07 1.56E+07 1.51E+07 1.78E+07 4.56E+06 1.33E+07 7.01E+06 6.77E+06 1.43E+07 2.45E+06 3.77E+06 1.84E+07 1.19E+07 8.66E+06 5.13E+06 1.3E+07 1.47E+07 3.11E+06 1.64E+07 9.99E+06 1.53E+07 1.02E+07 2.69E+06 5.34E+06 1.02E+07 7.92E+06 1.6E+07 1.47E+07 1.02E+07 1.45E+07 5.61E+06 3.49E+06 6.16E+06 1.54E+07 1.45E+07 1.26E+07 1.07E+07 p-Xylene 3.42E+03 3.4E+03 6.11E+03 3.36E+03 1.57E+03 3.05E+03 1.51E+03 8.98E+03 6.4E+03 6.18E+03 3.2E+04 3.79E+03 5.9E+03 9.95E+03 5.56E+03 1.87E+03 3.78E+03 9.24E+03 3.76E+03 3.87E+03 6.2E+03 9.74E+03 8.18E+03 1.22E+04 1.73E+04 5.45E+03 1.24E+04 4.35E+03 1.52E+04 1.88E+04 9.9E+03 3.85E+03 3.42E+03 3.6E+03 1.39E+04 3.85E+03 6.08E+03 6.77E+03 7.33E+03 8.42E+03 1.08E+04 5.81E+03 6.24E+03 3.7E+03 8.4E+03 3.99E+03 4.76E+04 2.78E+04 3.92E+03 1.64E+04 1.42E+04 Pyridostigmine 1.78E+06 8.09E+05 8.53E+05 6.81E+05 8.89E+05 7.88E+05 8.03E+05 6.75E+05 5.74E+05 7.27E+05 9.38E+05 1.32E+06 4.82E+05 7.16E+05 5.81E+05 1.03E+06 1.2E+06 7.59E+05 1.03E+06 1.15E+06 9.66E+05 1.24E+06 7.11E+05 1.5E+06 1.08E+06 9.57E+05 8.94E+05 1.03E+06 1.36E+06 8.92E+05 1.21E+06 1.5E+06 1.28E+06 1.56E+06 1.55E+06 9.26E+05 1.56E+06 9.13E+05 1.71E+06 9.13E+05 1.45E+06 8.83E+05 1.47E+06 6.92E+05 1.41E+06 1.23E+06 1.27E+06 1.23E+06 9.39E+05 9.51E+05 7.74E+05 Pyridoxal 1.68E+06 1.26E+06 1.06E+06 4.93E+05 1.01E+06 1.35E+06 1.16E+06 1.62E+06 8.79E+05 1.56E+06 9.6E+05 1.54E+06 1.2E+06 9.96E+05 1.59E+06 9.78E+05 1.66E+06 1.26E+06 1.3E+06 1.23E+06 1.5E+06 1.73E+06 9.68E+05 1.09E+06 1.6E+06 1.76E+06 1.35E+06 1.2E+06 1.99E+06 1.25E+06 1.18E+06 1.72E+06 1.71E+06 1.73E+06 1.28E+06 1.21E+06 6.14E+05 2E+06 8.36E+05 1.51E+06 1.24E+06 6.29E+05 1.15E+06 1.08E+06 7.39E+05 1.15E+06 1.37E+06 1.48E+06 1.27E+06 5.2E+05 6.37E+05 Pyridoxamine_1 1.23E+06 3.43E+06 6.67E+06 1.94E+06 2.15E+06 5.83E+06 2.11E+06 3.36E+06 2.46E+06 3.67E+06 6.5E+06 6.56E+06 9.25E+06 5.77E+06 3.88E+06 2.53E+06 1.76E+06 5.83E+06 7.85E+05 2.19E+06 3.08E+06 2.08E+06 9.25E+06 3.04E+06 3.46E+06 3.26E+06 1.51E+06 1.6E+06 2.02E+06 2.02E+06 1.72E+06 1.96E+06 6.71E+06 2.17E+06 1.57E+06 1.48E+06 1.97E+06 7.46E+05 1.46E+06 3.26E+06 8.95E+06 1.86E+06 2.13E+06 2.48E+06 2.74E+06 1.41E+06 6.77E+06 8.32E+06 1.92E+06 2.41E+06 3.8E+06 Pyridoxamine_2 4.6E+06 7.85E+05 9.24E+05 8.64E+05 8.68E+05 3.44E+06 1.04E+06 4.85E+05 6.13E+05 8.53E+05 1.06E+06 8.9E+05 1.32E+06 5.91E+06 2.38E+06 9.05E+05 1.36E+06 1.68E+06 8.58E+05 1.91E+06 1.89E+06 2.77E+06 1.3E+06 1.51E+06 7.15E+05 1.09E+06 6.64E+05 9.27E+05 1.09E+06 3.61E+06 5.34E+06 9.14E+05 9.02E+05 1.1E+06 2.31E+06 7.16E+05 1.22E+06 1.32E+06 8.65E+05 2.3E+06 3.09E+06 4.45E+05 1.01E+06 1.4E+06 4.04E+06 7.01E+05 8.63E+05 1.21E+06 7.7E+05 1.07E+06 7.18E+06 PYRIDOXINE 3.13E+06 3.86E+03 2.33E+03 3.71E+03 6.32E+03 7.22E+03 2.58E+03 6.89E+03 4.69E+03 4.12E+03 9.37E+04 2.61E+03 1.94E+03 6.67E+06 1.48E+06 2.43E+05 5.92E+05 2.68E+03 1.2E+03 2.29E+03 2.62E+05 1.76E+06 1.75E+03 5.86E+05 4.06E+03 2.27E+03 1.2E+03 4.62E+03 1.95E+03 8.92E+06 3.67E+06 2.18E+03 2.22E+03 5.34E+04 2.07E+06 2.19E+03 1.84E+05 4.27E+05 8.27E+03 2.08E+03 1.95E+06 6.08E+05 3.28E+03 6.64E+05 4.09E+06 3.63E+03 2.49E+03 1.26E+05 1.14E+05 3.22E+03 3.94E+06 QUINATE_1 1.1E+05 6.27E+03 4.49E+05 8.79E+03 1.22E+05 6.28E+05 2.2E+06 1.57E+04 7.05E+03 4.37E+06 2.55E+06 3.85E+04 5.06E+05 1.04E+06 1.85E+06 3.31E+06 1.89E+05 3.07E+03 2.79E+06 1.3E+04 4.17E+04 1.58E+06 4.1E+06 1.18E+06 1.02E+06 6.76E+03 5.03E+03 1.07E+04 9.7E+03 2.62E+06 3.04E+06 5.51E+05 6.25E+03 4.74E+05 1.08E+05 2.28E+06 2.52E+06 7.08E+03 2.23E+05 1.45E+05 4.32E+05 1.79E+06 3.98E+03 2.16E+05 3.67E+03 2.45E+04 5.47E+05 2.59E+06 2.78E+04 2.79E+06 1.71E+06 QUINATE_2 2.03E+05 3E+04 1.92E+05 1.19E+05 4.2E+04 3.04E+05 1.07E+06 1.34E+04 4.3E+04 2.09E+06 1.33E+06 4.53E+04 2.8E+05 5.74E+05 1.05E+06 1.67E+06 1.08E+05 1.43E+05 1.38E+06 5.96E+04 1.62E+05 8.45E+05 1.96E+06 6.02E+05 5.41E+05 2.67E+04 3.06E+04 3.54E+04 8.9E+04 1.72E+06 1.95E+06 1.33E+05 8.24E+04 2.12E+05 1.25E+05 1.17E+06 1.32E+06 4.24E+04 1.17E+05 2.65E+05 1.99E+05 9.41E+05 3.53E+04 4.72E+04 1.03E+05 1.72E+04 2.28E+05 1.47E+06 1.12E+04 1.54E+06 1.08E+06 Rehmaionoside C 0 1.46E+03 0 0 0 0 0 0 0 0 1.16E+03 0 0 0 0 0 0 0 0 3.89E+03 0 0 0 0 7.66E+03 0 0 0 0 1.23E+03 0 0 0 1.4E+04 1.93E+03 0 0 0 0 0 0 0 0 0 0 1.27E+03 0 0 5.26E+03 0 0 Retronecine 2.95E+06 2.34E+06 9.39E+05 8.5E+04 1.28E+05 4.27E+05 1.08E+05 6.46E+04 2.76E+04 3.01E+05 2.04E+05 1.15E+06 2.61E+05 5.65E+05 1.46E+05 1.7E+05 1.27E+05 6.45E+05 5.32E+05 1.56E+05 1.02E+05 1.87E+05 2.61E+05 5E+05 5.29E+05 5.88E+04 8.94E+04 2.69E+04 9.62E+04 7.81E+05 3.59E+05 2.8E+06 5.38E+05 1.84E+05 2.79E+05 8.64E+04 1.28E+05 1.35E+05 1.11E+05 1.01E+05 1.45E+06 6.93E+05 1.5E+05 7.72E+04 3.7E+05 2.66E+05 1.01E+05 1.69E+05 4.57E+04 2.51E+05 3.94E+05 Ripazepam 2.12E+06 3.31E+05 9.91E+05 3.7E+05 2.36E+05 4.1E+05 3.21E+05 7.28E+04 7.94E+05 5.94E+05 9.31E+04 4.73E+05 1.71E+05 5.88E+05 2.81E+05 9.99E+05 6.72E+05 5.01E+05 2.11E+05 3.23E+05 5.68E+05 2.31E+06 4.45E+05 2.58E+05 1.35E+05 3.51E+05 3.66E+05 6.85E+05 7.51E+05 5.95E+05 6.39E+05 3.51E+05 2.99E+05 7.92E+05 5.46E+05 4.53E+05 5.06E+05 6.14E+05 9.62E+05 3.21E+05 5.49E+05 3.59E+05 4.05E+05 3.55E+05 5.64E+05 5.09E+05 1.81E+06 5.26E+05 4.5E+05 1.27E+06 4.04E+05 Rishitin 1.85E+06 8.38E+05 1.2E+05 1.11E+06 1.23E+06 4.53E+05 3.1E+05 5.43E+04 1.63E+06 1.44E+06 6.05E+04 6.16E+05 2.63E+04 1.37E+06 2.55E+05 5.09E+06 5.65E+06 9.93E+05 5.69E+05 3.45E+05 1.24E+06 3.87E+06 5.51E+05 1.33E+06 2.31E+05 7.58E+05 3.33E+06 1.68E+06 3.82E+05 1.6E+06 5.99E+06 1.11E+06 6.19E+05 4.94E+06 1.58E+06 1.73E+06 3.61E+06 7.77E+06 3.59E+06 5.49E+05 9.74E+05 9.86E+05 8.1E+05 7.93E+05 4.33E+05 5.39E+06 1.89E+06 6.4E+05 4.23E+06 2.83E+06 9.8E+05 Saccharin sodium anhydrous_1 1.95E+06 1.9E+06 1.11E+06 1.86E+06 1.98E+06 1.5E+06 1.33E+06 1.62E+06 9.08E+05 1.66E+06 1.5E+06 1.81E+06 1.28E+06 2.16E+06 1.79E+06 1.04E+06 1.97E+06 9.83E+05 1.54E+06 2.05E+06 1.38E+06 1.68E+06 1.32E+06 1.24E+06 1.99E+06 2.03E+06 1.9E+06 1.26E+06 1.91E+06 1.45E+06 1.55E+06 2.41E+06 1.07E+06 1.72E+06 2.33E+06 1.17E+06 1.63E+06 2.39E+06 2.69E+06 2.13E+06 1.99E+06 1.68E+06 1.22E+06 1.31E+06 1.44E+06 1.72E+06 1.01E+06 1.46E+06 1.99E+06 1.46E+06 1.64E+06 Saccharin sodium anhydrous_2 5.12E+04 2.28E+05 2.8E+05 7.2E+05 5.66E+05 2.21E+05 4.83E+05 1.72E+05 7.3E+05 3.41E+05 3.66E+05 2.72E+05 3.51E+05 6.65E+05 3.37E+05 4.47E+05 5.71E+05 3.62E+05 2.5E+05 5.28E+05 3.14E+04 4.94E+05 3.14E+05 8.25E+05 4.31E+05 3.83E+05 4.92E+05 3.66E+05 5.82E+05 1.97E+05 5.27E+05 3.89E+05 4.33E+05 3.24E+05 5.72E+05 2.52E+05 2.75E+05 5.84E+05 1.31E+05 4.44E+05 3.16E+05 2.07E+05 7.23E+05 3.63E+05 3.92E+05 5.9E+05 2.64E+05 2.1E+05 6.64E+05 2.59E+05 1.01E+06 S-Allyl-L-cysteine_1 9.17E+06 7.35E+06 2.14E+06 3.29E+06 5.32E+06 1.65E+07 8.38E+06 9.52E+05 6.52E+06 2.91E+06 9.57E+05 6.13E+06 4.89E+06 1.78E+06 2E+06 2.23E+06 5.33E+06 6.1E+05 6.12E+06 6.91E+06 2E+06 1.74E+06 1.62E+06 3.67E+06 9.61E+05 1.23E+07 2.66E+06 2.48E+06 6.21E+06 1.6E+06 3.5E+06 2.31E+06 2.02E+05 4.33E+06 5.13E+06 4.13E+06 2.39E+06 5.51E+05 8.68E+06 7.12E+06 5.46E+05 3.85E+06 2.76E+06 4.25E+05 1.53E+06 1.5E+06 6.16E+06 6.82E+05 4.43E+06 2.1E+06 8.57E+06 S-Allyl-L-cysteine_2 4.58E+05 1.29E+06 1.72E+06 1.3E+06 1.28E+06 1.3E+06 1.73E+06 1.03E+06 1.54E+06 1.51E+06 6.17E+05 2.05E+06 1.37E+05 1.43E+06 1.83E+06 1.37E+06 1.8E+06 1.39E+06 1.34E+06 1.55E+06 4.9E+05 3.66E+05 1.35E+06 8.67E+05 4.78E+05 1.49E+06 1.78E+06 4.46E+05 1E+06 1.32E+06 2.23E+06 5.05E+05 1.77E+05 1.36E+06 1.83E+06 1.15E+06 8.27E+05 2.11E+05 1.57E+06 1.41E+06 1.84E+06 1.41E+06 1.25E+06 3.9E+05 1.16E+05 5.55E+05 8.97E+05 1.9E+06 1.31E+06 5.29E+05 1.81E+06 S-Allyl-L-cysteine_3 3.88E+04 9.57E+05 1.12E+04 3.41E+05 1.15E+04 6.41E+04 5.41E+04 1.94E+03 1.46E+05 7.61E+03 1.32E+03 4.02E+04 5.19E+04 1.04E+04 7.33E+05 5.46E+03 2.94E+04 8.67E+04 3.6E+05 9.65E+04 9.06E+03 4.77E+03 1.22E+04 8E+04 3.7E+03 1.02E+05 1.58E+05 6.31E+05 2.94E+04 1E+04 2.88E+05 5E+04 7.37E+04 8.77E+04 1.19E+06 7.65E+05 1.06E+04 4.88E+03 6E+05 3.12E+05 1.29E+03 9.77E+04 1.57E+04 8.88E+04 1.23E+04 2.58E+04 3.5E+04 0 4.97E+04 9.47E+03 1.64E+05 S-Allyl-L-cysteine_4 1.73E+03 5.58E+05 2.82E+03 5.37E+04 2.82E+05 5.77E+04 2.67E+05 0 0 2.88E+04 2.21E+04 2.75E+03 2.55E+05 3.01E+05 0 1.08E+05 2.14E+05 3.66E+04 0 2.42E+04 1.67E+04 0 4.95E+05 4.28E+04 2.89E+03 2.52E+05 0 1.3E+04 2.6E+04 4.14E+03 0 0 2.75E+04 1.98E+03 1.98E+03 0 0 1.24E+06 5.37E+03 0 2.87E+03 1.91E+03 1.36E+05 8.01E+03 0 1.75E+03 7.57E+05 0 2.26E+05 3.79E+04 0 S-Allyl-L-cysteine_5 0 0 0 8.57E+03 0 4E+04 0 0 3.38E+03 0 0 0 3.46E+03 0 6.69E+04 1.41E+04 2.08E+03 1.26E+03 5.34E+04 5.86E+03 1.72E+03 0 2.67E+03 7.85E+03 2.12E+03 2.37E+03 3.57E+03 1.24E+04 0 2.01E+03 1.61E+04 1.79E+03 0 5.09E+03 5.24E+05 2.93E+04 2.27E+03 0 7.55E+04 1.78E+04 0 1.76E+03 1.62E+03 7.77E+03 1.39E+03 5.76E+03 0 0 2.15E+03 0 3.33E+04 SARCOSINE 3.68E+05 4.12E+05 2.96E+05 2.35E+05 1.34E+05 1.9E+05 2.28E+05 1.45E+05 1.7E+05 2.74E+05 5.23E+05 2.77E+05 1.6E+05 4.51E+05 2.93E+05 2.22E+05 4.01E+05 1.8E+05 1.97E+05 2.82E+05 4.67E+05 1.06E+05 3.82E+05 7.94E+04 7.94E+05 3.5E+05 4E+05 2.31E+05 4.75E+05 2.55E+05 3.33E+05 2.72E+05 2.51E+05 2.82E+05 4.62E+05 1.08E+05 7.81E+04 2.55E+05 4.91E+05 5.37E+05 2.6E+05 2.09E+05 3.07E+05 2.65E+05 2.21E+05 3.22E+05 3.1E+05 2.28E+05 2.57E+05 4.04E+05 4.43E+05 Sebacic acid_1 2.34E+06 2.6E+06 2.32E+06 2.56E+06 2.13E+06 2.65E+06 2.88E+06 1.68E+06 1.9E+06 1.93E+06 2.06E+06 2.13E+06 2.03E+06 2.69E+06 2.54E+06 1.84E+06 2.35E+06 1.92E+06 3.68E+05 2.38E+06 1.57E+06 2E+06 1.79E+06 2.6E+06 1.92E+06 3.18E+06 2.07E+06 2.1E+06 2.56E+06 5.28E+05 2.36E+06 2.64E+06 5.94E+05 1.7E+06 5.03E+05 2.11E+06 2.26E+06 2.96E+06 2.28E+06 2.12E+06 5.38E+05 2.01E+06 3.12E+05 2.02E+06 1.77E+06 2.55E+06 2.32E+06 1.82E+06 2.11E+06 1.68E+06 2.21E+06 Sebacic acid_2 1.86E+05 4.48E+04 1.94E+05 1.26E+05 2.71E+05 1.44E+05 1.39E+05 2.3E+05 2E+05 1.95E+05 2.86E+05 1.2E+05 1.45E+05 1.33E+05 5.95E+04 1.84E+05 1.52E+05 1.66E+05 8.81E+04 2.58E+05 1.2E+05 1.7E+05 1.43E+05 1.27E+05 2.13E+05 1.44E+05 1.84E+05 1.02E+05 1.74E+05 1.29E+05 1.49E+05 1.32E+05 1.68E+05 1.6E+05 2.13E+05 2.17E+05 1.7E+05 1.25E+05 1.75E+05 1.29E+05 9.06E+04 1.32E+05 1.13E+05 1.16E+05 1.46E+05 6.41E+04 1.96E+05 1.93E+05 1.32E+05 1.31E+05 1.29E+05 Sebacic acid_3 7.23E+03 3.58E+03 1.54E+04 4.45E+03 6.93E+03 2.03E+03 6.08E+03 1.84E+03 1.36E+03 7.23E+03 1.18E+04 3.77E+03 8.99E+03 5.23E+03 3.18E+03 4.38E+03 4.15E+03 7.15E+03 2.02E+03 9.8E+03 2.55E+03 2.69E+04 4.76E+03 3.77E+03 4.01E+03 5.43E+03 2.06E+03 1.87E+03 994 9.41E+03 3.06E+03 4.28E+03 1.07E+04 2.64E+04 5.98E+03 9.82E+03 6.2E+03 1.11E+04 1.6E+03 2.24E+03 2.62E+03 1.97E+03 8.36E+03 8.24E+03 2.1E+03 2.5E+03 8.66E+03 2.31E+03 1.05E+04 1.87E+03 1.15E+04 Serotonin 0 2.72E+06 0 0 1.47E+03 0 0 0 1.55E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.46E+03 0 0 0 1.35E+03 0 0 0 0 0 1.48E+03 1.35E+03 0 1.72E+03 0 1.28E+03 0 1.78E+03 0 0 1.48E+03 0 0 0 0 3.48E+05 0 Shikimate 7.05E+04 1.28E+03 947 2.52E+03 1.81E+03 0 1.31E+03 1.04E+03 1.84E+03 1.29E+03 2.55E+04 1.26E+03 2.59E+03 2.27E+05 1.98E+04 993 6.41E+03 1.81E+03 1.33E+03 2.5E+03 1.43E+03 3E+04 1.75E+03 4.3E+03 5.44E+03 3.52E+03 1.14E+03 1.28E+03 5.3E+03 3.15E+05 9.71E+04 0 1.3E+04 1.83E+03 6.3E+04 0 1.58E+03 6.35E+03 1.86E+03 1.56E+03 4.36E+04 1.11E+03 1.35E+03 1.87E+04 3.64E+04 5.12E+03 4.25E+03 3.34E+03 5.34E+03 2.38E+03 1.9E+05 Sinapyl alcohol 6.17E+05 1.98E+05 3.69E+05 1.54E+05 8.87E+04 1.83E+05 8.45E+05 9.49E+03 3.13E+04 2.34E+05 1.15E+07 6.27E+05 2.26E+05 1.03E+05 1.15E+04 6.53E+04 1.09E+05 2.44E+05 7.46E+05 3.33E+04 1.22E+05 1.66E+06 1.39E+05 5.25E+05 1.98E+06 3.67E+05 1.8E+05 1.4E+04 1.94E+06 9.65E+04 1.44E+05 4.19E+05 2.62E+05 1.47E+05 8.22E+04 2.19E+04 3.73E+05 1.53E+05 2.12E+05 1.67E+05 1.61E+05 1.3E+05 1.3E+06 2.6E+04 1.74E+06 6.05E+05 6.62E+07 4.07E+05 1.46E+05 1.6E+05 1.78E+05 Sodium ortho-phenylphenate 3.05E+06 2.23E+06 1.19E+06 3.56E+05 3.8E+05 1.74E+06 5.06E+05 9.49E+04 4.49E+05 1.69E+05 1.43E+05 2.22E+06 1.14E+06 2.32E+05 1.3E+05 1.79E+05 3.71E+05 1.45E+06 5.05E+05 2.03E+05 3.32E+06 9.41E+05 5.91E+05 1.9E+06 4.52E+05 4.32E+05 6.34E+05 5.51E+05 2.37E+06 2.58E+05 6.55E+04 1.52E+06 6.14E+05 3.4E+05 1.81E+05 9.05E+04 2.94E+05 1.32E+05 2.96E+05 2.66E+06 9.72E+05 5.69E+05 1E+06 7.52E+05 2.09E+06 1.53E+06 3.58E+05 4.55E+05 1.89E+05 4.19E+05 1.65E+06 Sodium sulfate 4.55E+05 6.17E+05 4.64E+05 1.36E+06 1.67E+05 6.98E+05 7.37E+05 2.29E+05 7.24E+05 7.55E+05 3.33E+05 9.67E+05 5.32E+05 6.12E+05 1.04E+05 1.75E+05 1.87E+05 4.22E+05 5.47E+05 7.1E+05 1.05E+06 7.72E+05 1.27E+06 9.31E+05 5.15E+05 8.1E+05 6.53E+05 1.37E+05 4.93E+05 1.03E+06 2.33E+05 5.51E+05 4.99E+05 9.66E+05 5.05E+06 3.52E+05 7.87E+05 6.31E+05 5.15E+05 1.11E+06 3.81E+05 2.87E+05 2.28E+05 7.41E+04 8.01E+05 5.54E+05 1.95E+06 3.91E+05 3.88E+05 4.18E+05 2.09E+05 Sphingosine_1 8.22E+05 1.88E+05 9.52E+04 1.1E+05 1.99E+05 1.8E+05 8.68E+04 1.55E+05 2.25E+05 2.64E+05 1.92E+05 2.33E+05 1.55E+05 2.62E+05 1.67E+05 3.54E+05 3.27E+05 2.33E+05 1.88E+05 2.05E+05 2.3E+05 8.32E+05 1.88E+05 2.45E+05 2.11E+05 2.23E+05 2.43E+05 2.03E+05 2.67E+05 1.88E+05 4.12E+05 2.63E+05 1.74E+05 3.79E+05 2.07E+05 2.74E+05 3.35E+05 4.54E+05 3.37E+05 1.92E+05 4.23E+05 2.05E+05 2.24E+05 1.67E+05 2.29E+05 3.93E+05 2.7E+06 2.28E+05 2.13E+05 5.31E+05 2.39E+05 Sphingosine_2 3.8E+05 6.54E+04 3.64E+04 2.98E+04 5.92E+04 4.93E+04 3.5E+04 1.85E+04 5.22E+04 1.05E+05 6.15E+04 5.36E+04 2.84E+04 1.39E+05 4.19E+04 1.13E+05 1.49E+05 7.35E+04 1.78E+04 1.91E+04 1.16E+05 6.3E+05 3.35E+04 1.13E+05 4.74E+04 6.08E+04 3.95E+04 9.2E+04 1.2E+05 1.19E+05 1.7E+05 1.03E+05 6.44E+04 1.45E+05 4.13E+04 1.28E+05 1.58E+05 1.71E+05 2.05E+05 7.65E+04 2.34E+05 7.83E+04 2.4E+04 1.6E+04 1.38E+05 2.42E+05 1E+06 7.31E+04 8.87E+04 2.9E+05 6.57E+04 Sphingosine 1-phosphate 5.09E+05 1.9E+05 1.25E+05 8.37E+04 3.53E+04 8.54E+04 6.93E+04 0 1.25E+05 1.03E+05 6.11E+04 2.62E+05 8.19E+03 1.87E+05 6.05E+04 2.65E+05 2.17E+05 1.26E+05 3.29E+04 9.81E+04 1.56E+05 6.21E+05 7.67E+04 1.08E+05 1.18E+05 1.27E+05 9.4E+04 1.34E+05 1.32E+05 1.91E+05 2.86E+05 1.52E+05 9.11E+04 2.34E+05 9.1E+04 2.23E+05 1.65E+05 2.77E+05 4.59E+05 7.81E+04 4.34E+05 8.78E+04 6.63E+04 5.61E+04 1.48E+05 5.36E+05 1.84E+06 1.45E+05 1.41E+05 5.49E+05 1.67E+05 Stovaine_1 5.56E+06 0 2.14E+03 2.78E+03 3.54E+03 1.72E+03 0 2.02E+03 0 0 2.57E+03 0 1.75E+03 5.55E+06 1.74E+06 1.12E+03 2.93E+05 1.76E+03 2.11E+03 0 0 2.15E+06 0 4.17E+05 0 0 2.15E+03 1.91E+03 1.83E+03 6.85E+06 4.58E+06 0 0 0 9.07E+05 2.16E+03 0 2.35E+05 0 2.2E+03 1.55E+06 0 1.98E+03 5.99E+05 2.2E+06 0 0 2.07E+03 1.94E+03 0 4.88E+06 Stovaine_2 1.47E+06 0 1.76E+03 0 2.2E+03 2.01E+03 1.81E+03 4.04E+03 1.82E+03 2.01E+03 1.87E+03 2.35E+03 1.56E+03 2.61E+05 1.34E+05 2.19E+03 5.37E+03 0 1.58E+03 0 0 5.82E+05 1.81E+03 2.22E+04 1.7E+03 1.51E+03 1.57E+03 1.22E+03 1.91E+03 5.59E+05 2.53E+05 1.64E+03 0 1.93E+03 3.22E+03 1.71E+03 0 7.6E+03 4.32E+04 0 6.14E+04 1.8E+03 0 1.53E+04 4.8E+04 1.66E+03 1.66E+03 0 1.92E+03 1.65E+03 8.94E+05 Styrene 2.77E+03 2.43E+03 5.23E+03 2.37E+03 8.58E+03 0 2.9E+03 8.04E+03 5.28E+03 2.52E+03 6.02E+03 2.51E+03 3.31E+03 5.82E+03 3.02E+03 5.42E+03 3.72E+03 6.49E+03 2.44E+03 2.62E+03 1.79E+03 3.02E+03 1.05E+04 8.81E+03 9.79E+03 4.52E+03 7.96E+03 1.95E+03 2.28E+03 3.34E+03 1.27E+03 1.43E+03 9.87E+03 4.77E+03 2.88E+03 4.67E+03 1.31E+03 6.02E+03 3.08E+03 2.78E+03 7.72E+03 2.81E+03 0 5.39E+03 2.94E+03 1.17E+04 4.61E+03 3.22E+03 7.76E+03 5.95E+03 2.86E+03 Suberic acid_1 2.1E+05 1.89E+05 2.31E+05 1.49E+05 2.37E+05 1.06E+05 1.04E+05 1.94E+05 2.07E+05 1.69E+05 2.12E+05 1.48E+05 1.55E+05 2.01E+05 1.82E+05 1.9E+05 2.28E+05 2.18E+05 1.9E+05 2.49E+05 1.78E+05 2.17E+05 2.12E+05 1.69E+05 2.11E+05 1.78E+05 2.15E+05 1.67E+05 2.71E+05 2.15E+05 7.1E+04 1.32E+05 1.89E+05 2.09E+05 1.4E+05 1.94E+05 1.06E+05 1.64E+05 2.14E+05 1.77E+05 1.88E+05 1.4E+05 1.59E+05 1.85E+05 2.2E+05 2.19E+05 2.15E+05 2.87E+05 1.8E+05 1.88E+05 2.03E+05 Suberic acid_2 4.62E+03 2.37E+03 2.39E+03 2.7E+03 1.84E+03 2.22E+03 2.06E+03 1.94E+03 1.98E+03 2.32E+03 2.33E+03 2.26E+03 2.84E+03 2.63E+03 2.02E+03 2.16E+03 2.23E+03 2.16E+03 1.81E+06 2.45E+03 2.01E+03 2.01E+03 2.41E+03 2.37E+03 2.26E+03 2.21E+03 4.84E+03 2.15E+03 2.59E+03 4.18E+03 4.15E+03 3.04E+03 2.78E+03 4.98E+03 2.19E+03 2.47E+03 2.03E+03 2.84E+03 2.28E+03 2.35E+03 3.56E+03 2.73E+03 2.41E+03 2.3E+03 1.8E+03 2.43E+03 1.86E+03 1.91E+03 1.84E+03 1.65E+03 2.13E+03 Suberic acid_3 2.26E+03 2.04E+03 0 1.6E+03 1.73E+03 1.79E+03 1.9E+03 1.61E+03 1.89E+03 1.84E+03 2.07E+03 2.11E+03 2.11E+03 2E+03 1.97E+03 1.74E+03 1.91E+03 1.91E+03 2.04E+03 0 1.91E+03 2.35E+03 1.91E+03 2.19E+03 1.99E+03 2.12E+03 2E+03 1.97E+03 1.66E+03 1.95E+03 2.33E+03 2.73E+03 1.98E+03 1.82E+03 2.16E+03 1.8E+03 2.2E+03 2.21E+03 2.37E+03 2.37E+03 2.24E+03 2.71E+03 1.64E+03 2.37E+03 2.21E+03 2.17E+03 2.05E+03 1.94E+03 2.21E+03 1.84E+03 1.81E+03 Succimer 5.6E+05 4.33E+05 6.95E+05 3.25E+05 3.85E+05 4.31E+05 1.01E+06 3.63E+05 1.72E+05 4.75E+05 1.54E+04 2.84E+05 2.55E+06 5.77E+04 4.57E+05 3.31E+04 3.5E+05 9.41E+05 2.93E+05 1.88E+05 3.66E+04 3.22E+05 3.2E+05 9.92E+05 1.52E+05 2.2E+05 1.97E+05 2.52E+05 1.81E+05 3.16E+05 3.7E+05 4.06E+05 8.72E+05 5.14E+05 4.98E+05 4.27E+05 7.24E+05 3.27E+05 2.25E+05 3.01E+05 7.62E+04 1.93E+06 2.21E+05 1.06E+05 3.03E+05 1.17E+05 4.55E+03 6.01E+05 1.05E+04 1.82E+05 2.42E+05 Succinate_1 3.59E+06 5.13E+06 4.74E+06 2.85E+06 3.16E+06 5.89E+06 4.94E+06 3.9E+06 3.72E+06 3.53E+06 6.59E+06 5.75E+06 7.27E+06 3.9E+06 5.08E+06 3.94E+06 2.87E+06 3.56E+06 3.02E+06 4.29E+06 3.86E+06 3.85E+06 5.28E+06 4.24E+06 6.55E+06 6.09E+06 2.91E+06 3.41E+06 4.07E+06 3.14E+06 3.48E+06 3.6E+06 4.43E+06 3.04E+06 2.67E+06 5.38E+06 4.45E+06 3.86E+06 3.41E+06 4.87E+06 5.38E+06 3.12E+06 3.65E+06 4.36E+06 3.5E+06 5.93E+06 7.14E+06 5.28E+06 3.11E+06 3.71E+06 3.61E+06 Succinate_2 2.66E+05 8.97E+05 3.81E+05 8.32E+05 6.94E+05 6.58E+05 5.8E+05 5.02E+05 2.93E+05 2.05E+05 2.51E+05 1.31E+06 7.56E+05 1.47E+05 4.19E+05 3.17E+05 2.21E+05 1.42E+05 3.61E+05 4.73E+05 2.64E+05 8.41E+05 3.15E+05 5.42E+05 5.7E+05 7.95E+05 4.63E+05 8.73E+05 6.78E+05 3.18E+05 5.65E+05 1.6E+05 2.94E+05 2.41E+05 5.65E+05 7.29E+05 6.32E+05 5.74E+05 2.21E+05 9.81E+05 5.25E+05 5.12E+05 3.35E+05 1.31E+05 8.29E+05 3.12E+05 6.35E+05 1.75E+05 6.06E+05 4.5E+05 8.25E+05 Succinic anhydride 1.4E+05 9.36E+05 4.03E+05 3.61E+05 4.63E+05 3E+05 4.4E+05 9.16E+05 2.71E+05 3.14E+05 1.48E+06 1.29E+05 7.19E+05 9.58E+05 2.46E+05 3.22E+05 1.53E+06 3.18E+05 3.75E+05 1.71E+06 2.49E+05 3.81E+05 3.27E+05 9.54E+05 1.97E+05 5.55E+05 3.65E+05 4.17E+05 1.23E+06 1.24E+06 1.39E+06 3.45E+05 7.71E+05 5.11E+05 1.36E+06 3.07E+05 4.58E+05 2.09E+05 9.2E+05 3.96E+05 4.43E+05 4.02E+05 5.43E+05 4.01E+05 3.77E+05 1.16E+06 1.41E+06 3.56E+05 4.21E+05 6.32E+05 1.31E+06 Succinimide_1 1.36E+06 1.5E+06 1.32E+06 1.29E+06 1.97E+06 8.39E+05 1.11E+06 1.95E+06 1.35E+06 1.01E+06 2.13E+06 1.28E+06 1.12E+06 1.44E+06 1.76E+06 1.89E+06 2.32E+06 1.38E+06 1.54E+06 1.49E+06 1.65E+06 1.25E+06 1.3E+06 1.91E+06 3.55E+06 1.24E+06 1.55E+06 1.48E+06 1.47E+06 1.19E+06 1.27E+06 1.59E+06 9.46E+05 1.15E+06 1.3E+06 1.46E+06 1.52E+06 1.05E+06 1E+06 1.06E+06 1.33E+06 9.09E+05 1.62E+06 1.49E+06 1.54E+06 2.67E+06 1.96E+06 8.96E+05 1.47E+06 1.34E+06 2.2E+06 Succinimide_2 9.25E+05 6.66E+05 6.43E+05 5.86E+05 7.49E+05 7.16E+05 8.62E+05 3.97E+05 1.14E+06 6.04E+05 8.24E+05 5.82E+05 8.12E+05 5.46E+05 9.2E+05 6.8E+05 5.81E+05 6.08E+05 7.86E+05 5.63E+05 8.11E+05 6.85E+05 6.01E+05 4.97E+05 9.53E+05 9.19E+05 7.6E+05 7.46E+05 7.13E+05 7.19E+05 2.85E+05 7.05E+05 6.51E+05 4.81E+05 8.54E+05 6.22E+05 4.64E+05 8.01E+05 5.92E+05 5.13E+05 5.27E+05 7.24E+05 7.96E+05 5.17E+05 8.58E+05 6.96E+05 8.24E+05 3.49E+05 7.11E+05 5.36E+05 8.45E+05 SUCROSE 6.04E+07 5.34E+05 4.61E+05 3.89E+04 2.05E+05 2.52E+04 6.29E+04 1.51E+05 1.87E+05 2.65E+06 7.75E+07 1.55E+05 2.61E+05 4.53E+06 5.47E+07 4.51E+07 5.67E+07 1.33E+05 4.44E+05 3.03E+05 1.99E+07 2.68E+07 7.79E+05 2.23E+07 4.77E+05 7.3E+04 1.89E+05 1.08E+05 2.22E+05 5.57E+06 3.1E+06 1.56E+05 1.94E+05 1.07E+07 3.74E+06 1.62E+05 4.29E+07 1.87E+07 3.07E+05 5.8E+04 9.6E+07 4.9E+07 2.02E+05 4.34E+07 4.59E+05 1.74E+05 8.8E+05 2.76E+07 3.84E+07 2.61E+05 1.22E+06 Sulcatone_1 4.18E+05 4.05E+05 4.15E+05 4.44E+05 3.89E+05 3.91E+05 3.96E+05 3.45E+05 3.32E+05 3.6E+05 3.45E+05 3.59E+05 5.24E+05 3.58E+05 5.05E+05 3.74E+05 3.77E+05 4.1E+05 4.23E+05 3.9E+05 4.63E+05 3.94E+05 3.8E+05 4.29E+05 3.31E+05 3.87E+05 4.02E+05 4.55E+05 3.78E+05 3.51E+05 4.22E+05 4.12E+05 4.37E+05 3.79E+05 3.52E+05 3.7E+05 3.96E+05 4.06E+05 3.51E+05 3.36E+05 3.78E+05 3.96E+05 3.59E+05 3.63E+05 3.93E+05 4.1E+05 3.96E+05 3.96E+05 3.38E+05 3.24E+05 3.38E+05 Sulcatone_2 2.69E+05 2.11E+05 7.71E+04 2.56E+05 7.86E+04 1.18E+05 2.28E+05 2.13E+05 1.86E+05 2.4E+05 2.61E+05 1.81E+05 2.53E+05 2.54E+05 1.15E+05 1.86E+05 1.43E+05 2.81E+05 2.56E+05 1.9E+05 2.58E+05 2.64E+05 2.76E+05 2.1E+05 2.82E+05 7.05E+04 1.18E+05 1.51E+05 2.66E+05 2.53E+05 8.06E+04 2.25E+05 1.64E+05 6.46E+04 1.97E+05 1.61E+05 1.15E+05 2.03E+05 1.27E+05 2.01E+05 9.15E+04 1.33E+05 1.28E+05 2.67E+04 4.74E+04 2.85E+05 2.46E+05 1.9E+05 2.56E+05 2.6E+05 5.78E+04 Sulfacetamide sodium anhydrous 5.42E+07 5.91E+07 3.45E+07 5.1E+07 5.62E+07 4.59E+07 3.98E+07 5.49E+07 3.07E+07 4.82E+07 4.57E+07 5.7E+07 4.06E+07 6.21E+07 5.7E+07 3.36E+07 5.78E+07 3.22E+07 4.82E+07 6.54E+07 4.55E+07 4.96E+07 4.05E+07 3.86E+07 5.98E+07 6.23E+07 5.62E+07 4.22E+07 5.8E+07 4.27E+07 4.8E+07 6.73E+07 3.49E+07 5.42E+07 6.81E+07 3.54E+07 4.62E+07 6.83E+07 8.01E+07 5.98E+07 5.87E+07 5.12E+07 4.08E+07 4.01E+07 4.61E+07 5.91E+07 4.17E+07 4.69E+07 6.32E+07 4.97E+07 4.5E+07 Sulfamethazine 1.7E+06 1.56E+06 1.59E+06 1.55E+06 1.66E+06 1.6E+06 1.69E+06 1.54E+06 1.63E+06 1.5E+06 1.64E+06 1.52E+06 1.45E+06 1.44E+06 1.55E+06 1.49E+06 1.48E+06 1.49E+06 1.44E+06 1.54E+06 1.37E+06 1.42E+06 1.41E+06 1.48E+06 1.45E+06 1.45E+06 1.5E+06 1.47E+06 1.56E+06 1.7E+06 1.47E+06 1.44E+06 1.57E+06 1.43E+06 1.45E+06 1.52E+06 1.55E+06 1.53E+06 1.5E+06 1.55E+06 1.55E+06 1.44E+06 1.46E+06 1.44E+06 1.46E+06 1.51E+06 1.68E+06 1.46E+06 1.52E+06 1.47E+06 1.58E+06 Tabtoxinine-beta-lactam_1 2.34E+06 2.66E+06 6.99E+06 3.68E+06 5.6E+05 3.85E+06 2.06E+06 5.27E+06 2.22E+06 6.21E+06 4.39E+06 4.9E+05 4.03E+06 6.1E+06 1.97E+06 4.59E+06 6.81E+05 9.22E+04 2.69E+06 6.86E+05 5.44E+06 2.29E+06 7.65E+05 2.3E+06 1.05E+05 1.57E+06 2.23E+06 2.34E+06 2.47E+06 3.75E+06 3.33E+06 1.26E+05 4.33E+05 4.08E+06 1.95E+06 3.12E+06 1.95E+06 1.81E+06 1.99E+06 1.6E+06 6.86E+05 2.1E+06 3.97E+06 1.73E+06 1.69E+06 4.3E+05 5.54E+05 4.88E+04 7.38E+05 5.19E+06 5.12E+06 Tabtoxinine-beta-lactam_2 1.49E+06 1.08E+06 1.94E+06 7.32E+05 8.38E+05 1.46E+06 1.11E+06 1.02E+06 9.81E+05 9.76E+05 1.12E+06 5.13E+05 1.79E+06 1.13E+06 5.21E+05 1.01E+06 1.3E+06 2.33E+05 9.8E+05 6.91E+05 1.28E+06 7.5E+05 6.01E+05 1.17E+06 5.8E+05 8.35E+05 7.94E+05 5.75E+05 7.63E+05 1E+06 1.02E+06 7.39E+04 2.96E+05 1.37E+06 1.09E+06 1.09E+06 1.04E+06 6.52E+05 9.25E+05 6.95E+05 4.36E+05 1.85E+06 1.01E+06 4.39E+05 7.3E+05 5.96E+05 5.54E+05 1.35E+05 7.31E+05 1.1E+06 1.95E+06 Tabtoxinine-beta-lactam_3 5.46E+04 1.69E+05 3.25E+05 1.65E+05 7.37E+04 1.38E+05 6.32E+04 1.27E+05 1.55E+05 1.76E+04 9.05E+04 1.9E+04 1.1E+05 1.4E+05 1.22E+05 3.22E+05 8.66E+04 1.67E+04 1.4E+05 3.19E+04 8.87E+04 6.66E+04 8.76E+03 6.81E+04 2.81E+03 1.85E+04 1.6E+05 9.79E+04 1.3E+05 1.3E+05 2.02E+05 2.79E+03 5.44E+04 1.07E+05 3.09E+04 6.37E+04 3.95E+04 2.44E+04 3.67E+04 2.07E+04 6.19E+04 4.14E+04 4.11E+04 7.09E+04 3.6E+04 2.08E+04 2.86E+04 2.43E+03 1.73E+04 2.07E+05 1.33E+05 TAURINE 3.35E+06 2.55E+06 4.06E+06 2.22E+06 2.68E+06 3.19E+06 2.8E+06 2.56E+06 2.89E+06 2.5E+06 2.04E+06 3.51E+06 2.53E+06 2.8E+06 2.47E+06 3.4E+06 4.46E+06 2.81E+06 2.16E+06 2.97E+06 2.65E+06 2.66E+06 2.9E+06 2.99E+06 1.51E+06 3.37E+06 2.48E+06 2.46E+06 3.32E+06 2.38E+06 2.49E+06 2.53E+06 3.15E+06 3.14E+06 3.6E+06 3.28E+06 2.81E+06 2.59E+06 3.11E+06 3.08E+06 3.32E+06 2.39E+06 3.11E+06 2.5E+06 2E+06 2.87E+06 1.62E+06 3.32E+06 2.49E+06 3.02E+06 2.05E+06 Taurocyamine 0 3.01E+05 2.66E+04 6.1E+03 3.16E+05 0 9.41E+05 0 0 0 0 1.26E+05 2.31E+05 1.64E+06 0 6.23E+05 4.38E+04 9.44E+04 1.68E+03 3.42E+05 2.48E+04 1.61E+03 2.21E+06 4.52E+05 2.84E+04 1.61E+04 0 6.82E+03 2.06E+03 1.28E+04 0 0 3.97E+04 4.49E+03 0 0 0 1.59E+06 0 0 7.1E+03 4.85E+03 3.69E+05 1.75E+03 1.44E+03 0 6.77E+05 0 3.16E+04 1.18E+04 1.83E+03 Taxa-4(20),11(12)-dien-5alpha-yl acetate_1 1.11E+06 4.12E+05 1.06E+05 1.8E+05 1.34E+05 8.36E+04 3.18E+05 5.65E+03 7E+04 5.24E+05 1.96E+04 3.68E+05 1.69E+05 2.83E+05 7.45E+04 2.08E+05 2.21E+05 2.12E+05 5.6E+04 5.74E+04 1.97E+05 1.5E+06 1.25E+05 2.19E+05 9.33E+04 1.08E+05 3.51E+05 1.04E+05 2.79E+05 1.91E+05 5.7E+05 7.05E+04 1.29E+05 1.3E+06 2.09E+05 4.8E+05 1.34E+05 8.48E+05 1.07E+06 6.45E+04 6.2E+05 5.33E+05 3.03E+05 1.69E+05 3.47E+05 4.54E+05 3.28E+06 3.24E+05 1.95E+05 9.49E+05 9.98E+04 Taxa-4(20),11(12)-dien-5alpha-yl acetate_2 5.72E+05 8.97E+04 4.19E+03 4.74E+03 1.8E+04 5.31E+03 2.13E+04 4.01E+03 2.73E+04 1.4E+05 2.8E+05 9.08E+04 1.26E+03 8.18E+04 4.14E+04 4.34E+04 3.69E+04 4.44E+04 2.14E+04 2.65E+04 7.58E+04 4.15E+05 1.1E+04 1.61E+05 1.08E+05 4.44E+04 5.03E+04 4.07E+04 8.87E+04 3.01E+04 1.01E+05 2.26E+04 1.4E+04 2.54E+05 3.63E+04 4.43E+04 7.06E+04 3.62E+05 2.15E+05 1.32E+04 2.19E+05 6.68E+04 6.14E+04 1.64E+04 1.07E+05 2.02E+05 3.18E+06 9.64E+04 3.4E+04 2.4E+05 1.27E+04 Terpendole E 7.79E+05 1.94E+05 2.04E+05 1.8E+05 1.91E+05 1.63E+05 1.15E+05 2.99E+03 2.21E+05 1.79E+05 1.72E+05 2.25E+05 2.68E+04 3.05E+05 1.07E+05 2.57E+05 4.19E+05 1.56E+05 3.36E+04 1.63E+05 1.94E+05 5.28E+05 1.33E+05 6.49E+04 1.25E+05 1.28E+05 1.67E+05 1.33E+05 1.81E+05 2.7E+05 3.47E+05 1.08E+05 5.42E+04 2.5E+05 1.18E+05 1.75E+05 1.01E+05 2.53E+05 3.37E+05 8.07E+04 3.49E+05 9.5E+04 1.1E+05 1.42E+04 1.3E+05 1.45E+05 2.19E+06 1.09E+05 2.19E+05 5.35E+05 1.47E+05 Terpendole G 2.38E+06 1.96E+05 6.35E+04 2.74E+05 1.14E+05 6.16E+04 1.09E+05 1.98E+03 6.27E+04 1.17E+05 2.29E+06 4.29E+05 1.4E+04 1.55E+05 4.87E+04 2.8E+05 2.83E+05 6.22E+04 5.15E+04 1.37E+05 5.22E+05 9.96E+05 1.47E+05 7.44E+04 2.61E+06 1.02E+05 7.05E+04 7.92E+04 3.84E+05 2.2E+05 1.8E+05 1.79E+05 3.62E+04 2.64E+05 1.17E+05 1.45E+05 2.09E+05 9.01E+05 6.87E+05 2.02E+05 1.68E+06 5.48E+04 7.25E+04 3.43E+04 2.16E+05 3.99E+05 1.8E+07 1.43E+05 1.51E+05 2.68E+05 4.03E+05 TES 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Thiomorpholine 3-carboxylate_1 2.26E+06 4.12E+06 1.15E+06 2.62E+06 2.03E+06 2.8E+06 2.21E+06 4.08E+06 2.12E+06 1.41E+06 3.35E+06 2.22E+06 1.18E+06 2.66E+06 4.7E+06 2.02E+06 1.94E+06 5.62E+06 5.4E+05 2.36E+06 9.14E+05 2.3E+05 4.87E+06 5.39E+05 5.17E+06 3.26E+06 8.73E+05 1.59E+06 1.18E+06 3.01E+06 8.82E+05 5.15E+06 4.02E+06 1.36E+06 1.83E+06 2.21E+06 8.74E+05 8.98E+05 2.79E+06 1.63E+06 2.71E+06 9.11E+05 1.76E+06 4.15E+06 2.48E+05 1.98E+06 1.17E+06 4.06E+06 2.5E+06 9.27E+05 3.17E+06 Thiomorpholine 3-carboxylate_2 2.51E+05 2.22E+05 3.96E+04 1.12E+05 3.31E+05 5.53E+05 4.81E+04 3.3E+03 4.05E+05 7.68E+04 1.6E+04 3.35E+05 1.95E+05 4.41E+04 3.82E+04 3E+04 5.95E+05 1.11E+04 3.1E+05 6.88E+05 1.65E+04 4.15E+04 4.31E+04 1.76E+05 3.75E+05 2.35E+06 2.41E+05 2.99E+05 3.36E+05 4.41E+03 9.62E+04 3.15E+05 2.19E+03 2.52E+05 7.36E+05 2.81E+05 9.22E+04 2.84E+04 2.32E+06 9.42E+05 2.74E+03 1.53E+05 5.5E+04 1.68E+04 4.54E+04 8.98E+04 4.83E+05 8.29E+03 4.46E+05 3.39E+04 2.08E+05 Thiomorpholine 3-carboxylate_3 2.74E+03 6.12E+05 0 0 2.73E+03 0 9.95E+04 0 0 0 0 0 8.83E+05 2.11E+06 1.51E+03 3.37E+03 1.39E+04 4.56E+03 0 2.74E+03 1.34E+05 0 2.44E+05 0 2.33E+03 5.76E+03 0 7.49E+03 0 0 4.81E+03 1.77E+03 1.93E+03 4.42E+03 6.11E+03 2.06E+03 0 9.05E+05 0 2.35E+03 0 2.12E+03 0 0 3.11E+03 1.35E+03 7.88E+04 0 2.26E+05 2.87E+04 2.31E+03 Thymine 5.13E+05 4E+05 4.26E+05 4.04E+05 4.01E+05 5.85E+05 4.3E+05 2.62E+05 4.49E+05 3.62E+05 4.36E+05 4.79E+05 4.88E+05 5.89E+05 4.39E+05 4.2E+05 4.55E+05 3.97E+05 3.73E+05 3.85E+05 4.36E+05 5E+05 5E+05 4.41E+05 4.21E+05 4.33E+05 4E+05 4.53E+05 5.01E+05 6.62E+05 5.69E+05 4.16E+05 3.77E+05 4.52E+05 4.96E+05 4.65E+05 3.99E+05 3.49E+05 3.88E+05 3.99E+05 5.25E+05 4.91E+05 3.8E+05 4.97E+05 5.24E+05 3.1E+05 3.84E+05 4.43E+05 4.11E+05 3.49E+05 6.33E+05 THYMINE 1.33E+06 8.32E+03 3.32E+05 9.62E+04 1.25E+05 1.3E+05 4.65E+04 4.34E+04 2.83E+04 1.44E+05 9.63E+04 3.05E+04 3.82E+04 1.22E+06 7.24E+05 1.79E+05 4.19E+05 2.92E+05 1.33E+05 4.86E+04 2.82E+05 9.61E+05 2.32E+04 4.17E+05 7.56E+04 1.09E+05 1.4E+05 5.86E+04 7.31E+04 1.83E+06 1.28E+06 7.34E+03 6.5E+04 1.32E+05 4.89E+05 1.67E+05 1.87E+05 3.54E+05 1.15E+05 8.76E+04 1.02E+06 3.53E+05 6.29E+04 4.4E+05 9.47E+05 1.48E+05 1.54E+05 6.76E+04 7.99E+04 1.2E+05 1.46E+06 Tolmetin sodium 2.4E+07 1.64E+07 2.45E+07 1.88E+07 1.7E+07 1.86E+07 2.44E+07 9.86E+06 1.13E+07 1.62E+07 3.29E+07 1.73E+07 1.08E+07 3.1E+07 1.85E+07 2.63E+07 2.77E+07 1.07E+07 8.67E+06 2.5E+07 1.6E+07 1.75E+07 1.59E+07 1.21E+07 1.81E+07 1.75E+07 2E+07 1.07E+07 1.9E+07 3.27E+07 2.33E+07 1.12E+07 1.56E+07 1.91E+07 2.65E+07 1.65E+07 1.55E+07 2.14E+07 2.43E+07 1.51E+07 2.24E+07 1.66E+07 1.68E+07 1.31E+07 1.84E+07 2.62E+07 2.78E+07 1.43E+07 2.15E+07 1.81E+07 2.63E+07 Toluene-cis-dihydrodiol_1 1.67E+05 1.94E+05 2.17E+05 4.77E+05 1.75E+05 1.38E+05 2.33E+05 2.18E+05 2.47E+05 1.32E+05 2.84E+05 1.82E+05 3.43E+05 1.8E+05 2.34E+05 2.97E+05 3.09E+05 2.04E+05 1.76E+05 1.87E+05 1.47E+05 1.48E+05 2.76E+05 2.42E+05 1.96E+05 2.34E+05 2.57E+05 2.16E+05 1.08E+05 3.7E+05 4.66E+05 1.84E+05 3.53E+05 1.85E+05 4.74E+05 2.03E+05 2.34E+05 3.53E+05 3.1E+05 1.48E+05 2.15E+05 1.62E+05 1.68E+05 1.52E+05 2.03E+05 1.89E+05 1.37E+05 1.96E+05 1.38E+05 2.77E+05 5.49E+05 Toluene-cis-dihydrodiol_2 9.94E+04 1.22E+05 1.77E+05 5.28E+04 1.85E+05 2.82E+04 3.16E+05 4.64E+04 9.01E+04 1.2E+06 3.87E+05 8.03E+04 8.9E+04 2.54E+05 2.69E+05 1.01E+06 5.18E+05 7.77E+04 1.49E+05 2.68E+05 8.07E+03 5.77E+04 1.99E+05 6.59E+04 2.41E+05 7.66E+04 3.24E+04 1.74E+05 3.84E+04 7.04E+05 7.42E+04 8.45E+04 3.38E+04 1.24E+05 1.77E+05 5.34E+06 4.78E+05 7.36E+04 1.6E+05 1.57E+05 3.28E+05 2.73E+06 3.74E+04 2.52E+05 8.46E+04 4.41E+04 8.72E+03 3.23E+05 5.86E+04 1.5E+05 1.49E+06 Toluene-cis-dihydrodiol_3 1.83E+05 1.99E+04 4.32E+04 2.34E+04 1.95E+04 5.66E+04 3.34E+05 1.59E+04 5.95E+04 1.33E+05 1.12E+05 6.31E+04 2.3E+05 1.85E+05 6.33E+04 1.97E+05 2.85E+04 1.03E+05 1.26E+05 9.65E+03 3.7E+04 3.54E+05 1.53E+05 1.1E+05 9.63E+04 4.17E+04 3.93E+04 8.62E+04 1.19E+05 2.51E+05 3.03E+05 6.13E+04 8.4E+04 1.14E+05 1.02E+05 1.81E+05 1.94E+05 5.1E+04 9.45E+04 2.2E+05 9.82E+04 4.13E+05 2.59E+04 2.04E+05 8.95E+04 1.78E+04 1.99E+04 1.15E+05 1.34E+05 2.94E+05 1.79E+06 Tolylacetonitrile_1 1.92E+06 2.26E+06 2.34E+06 2.07E+06 1.39E+06 1.66E+06 2.1E+06 9.22E+05 1.62E+06 1.55E+06 1.67E+06 2.76E+06 1.16E+06 1.85E+06 1.7E+06 1.32E+06 1.48E+06 1.75E+06 1.67E+06 1.99E+06 1.6E+06 1.72E+06 2.19E+06 1.86E+06 1.27E+06 1.91E+06 1.4E+06 1.62E+06 1.81E+06 1.16E+06 1.56E+06 1.39E+06 1.57E+06 1.77E+06 1.65E+06 1.38E+06 1.69E+06 1.22E+06 1.52E+06 2.36E+06 1.72E+06 1.68E+06 1.93E+06 1.58E+06 1.49E+06 1.52E+06 1.98E+06 1.26E+06 1.7E+06 1.77E+06 2.23E+06 Tolylacetonitrile_2 7.05E+04 1.12E+05 1.91E+05 4.34E+04 2.04E+03 8.92E+05 2.17E+04 4.48E+04 4.75E+04 2.24E+05 2.7E+04 1.75E+04 1.1E+04 2.37E+04 5.17E+05 1.02E+04 2.66E+04 3.24E+04 2.15E+04 2.06E+04 1.8E+04 9.2E+03 1.89E+04 1.53E+04 1.23E+04 2.49E+05 1.99E+05 1.71E+06 2.44E+04 1.44E+04 5.98E+04 1.15E+05 1.89E+05 9.92E+05 1.52E+05 5.91E+04 7.1E+03 2.35E+03 1.58E+03 8.37E+03 1.94E+04 5.99E+04 1.61E+04 2.76E+04 1.58E+04 1.22E+04 5.1E+04 1.35E+06 2.13E+05 2.43E+05 2.92E+05 Tos-Lys-CH2Cl 5.26E+07 5.13E+07 5.23E+07 5.27E+07 5.08E+07 5.37E+07 5.26E+07 4.95E+07 5.1E+07 4.94E+07 5.36E+07 4.96E+07 4.99E+07 4.86E+07 5.19E+07 4.77E+07 4.8E+07 4.7E+07 4.63E+07 4.81E+07 4.71E+07 4.61E+07 4.61E+07 4.67E+07 4.56E+07 4.7E+07 4.58E+07 4.55E+07 4.6E+07 4.59E+07 4.7E+07 4.58E+07 4.46E+07 4.48E+07 4.32E+07 4.54E+07 4.45E+07 4.47E+07 4.27E+07 4.4E+07 4.48E+07 4.33E+07 4.35E+07 4.37E+07 4.18E+07 4.32E+07 5.57E+07 4.35E+07 4.27E+07 4.34E+07 5.34E+07 trans-Cinnamate_1 8.37E+06 8.27E+06 1.21E+07 8.54E+06 7.45E+06 6.69E+06 8.36E+06 5.01E+06 7.47E+06 7.4E+06 7.14E+06 8.94E+06 5.86E+06 7.67E+06 8.37E+06 6.41E+06 7.12E+06 1.11E+07 6.98E+06 7.65E+06 6.86E+06 6.11E+06 9.37E+06 6.61E+06 5.68E+06 6.05E+06 6.66E+06 6.73E+06 6.94E+06 6.45E+06 7E+06 6.87E+06 9.64E+06 7.62E+06 5.74E+06 6.66E+06 6.09E+06 5.38E+06 8.18E+06 8.64E+06 7.33E+06 8.89E+06 5.85E+06 7.86E+06 5.71E+06 5.81E+06 8.24E+06 6.69E+06 7.05E+06 5.91E+06 1.03E+07 trans-Cinnamate_2 7.85E+05 6.24E+05 7.4E+05 5.22E+05 7.55E+05 7.94E+05 5.44E+05 9.47E+05 9.09E+05 9.51E+05 8.37E+05 6.88E+05 9.67E+05 7.48E+05 8.08E+05 7.7E+05 8.94E+05 9E+05 7.86E+05 9.7E+05 7.19E+05 7.91E+05 7.95E+05 7.93E+05 7.79E+05 7.92E+05 7.3E+05 6.18E+05 7.57E+05 7.07E+05 8.22E+05 7.51E+05 8E+05 7.79E+05 9.35E+05 8.84E+05 8E+05 7.23E+05 7.71E+05 8.18E+05 6.78E+05 7.83E+05 7.69E+05 8.18E+05 6.94E+05 8.58E+05 9.53E+05 7.52E+05 7.04E+05 7.45E+05 6.34E+05 TRANS-CINNAMATE 4.47E+05 2.57E+05 2.62E+05 1.98E+05 3.21E+05 1.65E+06 1.85E+05 3.4E+05 2.65E+05 3.31E+05 3.32E+05 7.15E+04 2.59E+05 3.17E+05 3.02E+05 3.05E+05 2.88E+05 4.14E+05 2.22E+05 3.45E+05 2.34E+05 2.83E+05 2.87E+05 3.68E+05 2.94E+05 2.3E+05 2.47E+05 1.74E+05 2.82E+05 3.17E+05 2.55E+05 2.09E+05 2.56E+05 2.49E+05 2.99E+05 2.64E+05 2.55E+05 2.66E+05 3.32E+05 2.4E+05 3.01E+05 2.45E+05 2.26E+05 2.81E+05 2.71E+05 2.99E+05 2.82E+05 2.18E+05 2.96E+05 2.57E+05 2.16E+05 Transfluthrin 0 0 0 0 2.19E+03 0 0 0 0 1.75E+03 0 0 0 0 0 0 0 0 0 0 1.51E+03 0 0 0 0 0 0 0 0 0 0 0 0 7.06E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Traumatic acid 1.7E+05 8.56E+04 1.53E+05 1.69E+04 7.47E+04 2.24E+05 1.44E+05 8.6E+04 1.05E+05 1.06E+05 5.08E+04 7.29E+04 1.32E+05 1.2E+05 8.58E+04 1.46E+05 3.11E+04 6.56E+04 4.06E+04 7.89E+04 6.08E+04 1.2E+05 5.93E+04 7.86E+04 2.66E+04 1.21E+05 7.26E+04 8.21E+04 6.25E+04 5.62E+04 8.19E+04 6.4E+04 8.25E+04 9.22E+04 8.68E+04 8.49E+04 4E+04 5.82E+04 1.17E+05 4.01E+04 3.02E+04 4.28E+04 6.96E+04 8.81E+04 3.56E+04 6.66E+04 8.18E+04 1.06E+05 7.54E+04 3.36E+04 1.18E+05 Tremetone 1.19E+06 1.27E+06 1.14E+06 1.15E+06 1.32E+06 1.33E+06 1.01E+06 1.44E+06 1.39E+06 1.32E+06 1.12E+06 1.34E+06 1.26E+06 1.39E+06 1.31E+06 1.34E+06 1.39E+06 1.35E+06 1.27E+06 1.36E+06 1.38E+06 1.32E+06 1.33E+06 1.34E+06 1.36E+06 1.4E+06 1.36E+06 1.34E+06 1.38E+06 1.27E+06 1.29E+06 1.34E+06 1.33E+06 1.41E+06 1.27E+06 1.27E+06 1.32E+06 1.37E+06 1.23E+06 1.31E+06 1.32E+06 1.31E+06 1.3E+06 1.27E+06 1.37E+06 1.35E+06 1.18E+06 1.29E+06 1.31E+06 1.36E+06 1.17E+06 Trimethylamine N-oxide 4.2E+07 8.41E+06 2.19E+08 2.43E+07 2.86E+07 2.1E+07 3.16E+07 4.56E+07 1.56E+07 4.53E+07 7.51E+07 1.32E+07 6.58E+06 1.03E+07 9.45E+06 7.81E+07 4.24E+07 6.57E+07 1.55E+07 6.83E+07 3.9E+07 1.28E+07 6.27E+07 1.25E+07 2.72E+07 2.43E+07 1.54E+07 1.14E+07 5.81E+07 6.61E+06 2.36E+06 9.56E+06 5.01E+07 7.19E+07 6.16E+06 5.1E+07 4E+07 3.69E+07 5.65E+07 2.44E+07 2.41E+07 1.22E+07 5.46E+07 3.35E+07 1.33E+07 4.96E+07 3E+07 5.2E+07 1.57E+07 3.3E+07 1.19E+07 Tris(butoxyethyl)phosphate 7.92E+06 5.53E+06 9.4E+06 6.32E+06 9.69E+06 1.19E+07 7.76E+06 1.33E+07 1.13E+07 9.06E+06 1.04E+07 8.49E+06 1.02E+07 8.24E+06 8.2E+06 9.69E+06 7.94E+06 7.98E+06 6.46E+06 1.54E+07 6.22E+06 6.8E+06 7.01E+06 6.68E+06 7.68E+06 9.87E+06 7.8E+06 5.86E+06 8.57E+06 7.11E+06 6.65E+06 8.06E+06 9.15E+06 7.12E+06 9.17E+06 9.67E+06 7.93E+06 7.87E+06 6.92E+06 8.96E+06 7.16E+06 7.1E+06 7.16E+06 9.39E+06 6.34E+06 8.39E+06 3.88E+07 7.76E+06 6.42E+06 7.07E+06 6.09E+06 Tropinone 1.38E+06 1.41E+06 1.29E+06 1.05E+06 1.81E+06 1.14E+06 1.06E+06 1.63E+06 1.62E+06 1.11E+06 1.15E+06 5.58E+05 1.85E+06 1.31E+06 1.02E+06 1.08E+06 1.71E+06 1.37E+06 8.45E+05 2.1E+06 1.1E+06 1.06E+06 7.31E+05 1.34E+06 2.09E+06 1.72E+06 2.18E+06 1.39E+06 1.13E+06 1.83E+06 1.15E+06 2.11E+06 1.84E+06 2.36E+06 1.03E+06 1.23E+06 1.87E+06 4.44E+05 1.52E+06 1.17E+06 6.34E+05 2.11E+06 1.96E+06 1.3E+06 1.2E+06 1.37E+06 1.21E+06 1.22E+06 1.53E+06 1.04E+06 1.3E+06 Trp-P-1 4.7E+07 4.67E+07 4.61E+07 4.9E+07 4.77E+07 4.68E+07 4.81E+07 4.93E+07 4.73E+07 4.72E+07 4.91E+07 4.68E+07 4.7E+07 4.68E+07 4.66E+07 4.85E+07 4.74E+07 4.42E+07 4.86E+07 4.76E+07 4.75E+07 4.86E+07 4.6E+07 4.8E+07 4.55E+07 4.7E+07 4.62E+07 4.63E+07 4.74E+07 4.34E+07 4.46E+07 4.73E+07 4.71E+07 4.82E+07 4.22E+07 4.86E+07 4.93E+07 4.86E+07 4.26E+07 4.73E+07 4.5E+07 4.44E+07 4.62E+07 4.69E+07 4.44E+07 4.49E+07 4.77E+07 4.61E+07 4.58E+07 4.68E+07 4.7E+07 Tussilagine_1 4.82E+05 2.55E+05 7.53E+05 9.93E+04 3.74E+05 4.67E+05 1.07E+06 1.03E+06 3.43E+05 5.1E+05 3.58E+05 2.21E+05 5.47E+06 2.37E+05 2.35E+06 5.08E+05 1.33E+05 1.38E+06 1.5E+05 6.8E+05 7.71E+04 2.81E+04 1.35E+06 2.87E+05 4.31E+05 2.78E+05 1.98E+05 7.62E+04 5.76E+04 6.29E+05 3.77E+05 1.41E+06 2.65E+06 7.42E+05 9.29E+05 6.03E+05 2.88E+05 1.1E+05 8.45E+05 1.65E+05 7.02E+05 1.04E+06 1.89E+05 1.4E+06 1.05E+04 7.12E+05 2.88E+05 8.93E+05 2.56E+05 1.33E+05 2.28E+05 Tussilagine_2 1.71E+04 3.03E+03 3.77E+04 1.2E+04 9.94E+03 6.85E+04 6.36E+04 1.95E+04 1.01E+05 1.02E+04 3.18E+04 1.02E+04 2.35E+05 3.26E+03 5.39E+05 6.49E+04 3.52E+03 1.05E+05 6.32E+03 2.98E+04 4.87E+03 3.93E+03 1.99E+05 1.55E+03 1.12E+05 1.47E+04 4.31E+04 4.02E+04 7.47E+04 8.53E+03 4.47E+04 2.09E+05 1.02E+04 1.05E+05 8.81E+03 2.16E+04 1.67E+04 7.64E+03 2.95E+05 5.02E+04 1.68E+04 2.25E+05 3.44E+03 2.83E+05 3.05E+03 1.61E+04 8.7E+03 3.75E+03 5.41E+03 2.46E+03 1.66E+04 Tussilagine_3 9.91E+03 1.01E+04 5.63E+04 3.52E+03 1.04E+04 1.13E+04 4.45E+04 2.96E+04 1.26E+04 1.97E+03 1.25E+04 3.52E+04 4.43E+05 2.2E+04 5.51E+04 1.95E+04 5.58E+03 1.13E+05 1.55E+03 3.2E+04 1.53E+03 1.95E+03 5.49E+04 4.19E+03 1.62E+04 1.14E+04 1.83E+03 2.43E+03 4.86E+03 3.14E+04 3.04E+03 1.54E+04 6.4E+05 4.31E+03 1.47E+04 8.11E+03 6.26E+03 3.05E+03 9.06E+03 4.24E+03 1.87E+05 9.46E+03 3.76E+03 1.07E+04 2.75E+03 2.77E+03 1.29E+03 2.25E+05 2.11E+03 4.78E+03 5.19E+03 Tyramine_1 2.83E+06 2.38E+06 2.56E+06 2.61E+06 2.3E+06 2.12E+06 2.62E+06 2.31E+06 2.28E+06 2.48E+06 2.51E+06 2.34E+06 2.48E+06 2.85E+06 2.32E+06 2.44E+06 2.45E+06 2.65E+06 2.14E+06 2.08E+06 2.1E+06 2.32E+06 2.46E+06 2.26E+06 2.4E+06 2.1E+06 2.13E+06 2.12E+06 2.24E+06 2.33E+06 2.51E+06 2.51E+06 2.35E+06 2.26E+06 1.71E+06 1.75E+06 2.15E+06 2.45E+06 1.98E+06 2.41E+06 2.5E+06 2.15E+06 2.13E+06 2.29E+06 2.07E+06 2.28E+06 3.01E+06 2.43E+06 2.19E+06 2.11E+06 2.76E+06 Tyramine_2 1.24E+06 1.1E+06 8.43E+05 5.68E+05 5.87E+05 6.27E+05 6.57E+05 6.41E+05 5.47E+05 6.44E+05 7.09E+05 8.01E+05 7.04E+05 6.34E+05 5.91E+05 5.94E+05 5.94E+05 7.8E+05 6.6E+05 5.1E+05 5.1E+05 5.02E+05 6.45E+05 6.34E+05 6.98E+05 5.08E+05 5.62E+05 5.13E+05 5.47E+05 5.56E+05 5.81E+05 1.31E+06 7.24E+05 5.95E+05 4.53E+05 4.81E+05 4.29E+05 5.38E+05 5.35E+05 5.79E+05 9.57E+05 7.76E+05 5.42E+05 6.04E+05 4.73E+05 6.33E+05 6.7E+05 6.64E+05 5.22E+05 5.84E+05 6.57E+05 Uracil 2.28E+07 1.98E+07 1.81E+07 6.57E+06 1.36E+07 1.96E+07 1.33E+07 1.18E+07 1.72E+07 1.05E+07 1.5E+07 1.8E+07 1.34E+07 3.45E+07 2.35E+07 2.02E+07 2.26E+07 1.49E+07 1.39E+07 2.27E+07 1.08E+07 1.94E+07 1.61E+07 1.59E+07 1.19E+07 1.91E+07 1.53E+07 1.56E+07 1.7E+07 3.53E+07 2.97E+07 1.39E+07 1.57E+07 1.97E+07 3.06E+07 1.83E+07 1.32E+07 1.42E+07 1.92E+07 1.99E+07 2.72E+07 2.5E+07 1.57E+07 2.53E+07 2E+07 1.49E+07 1.05E+07 1.74E+07 2.39E+07 1.79E+07 2.48E+07 URACIL 2.97E+06 6.32E+05 1.49E+06 3.8E+05 1.23E+06 7.99E+05 7.82E+05 9.17E+05 1.05E+06 8.91E+05 1.4E+06 6.14E+05 5.76E+05 3.36E+06 2.47E+06 1.12E+06 1.62E+06 1.19E+06 7.45E+05 1.19E+06 8.1E+05 2.43E+06 6.27E+05 1.24E+06 1.25E+06 1E+06 9.69E+05 1.25E+06 9.64E+05 4.79E+06 3.72E+06 8.87E+05 8.55E+05 8.7E+05 1.83E+06 1.32E+06 9.03E+05 1.18E+06 1.3E+06 9.18E+05 3.18E+06 1.56E+06 8.71E+05 1.48E+06 2.25E+06 1.26E+06 1.12E+06 1.28E+06 9.29E+05 9.52E+05 3.01E+06 URATE 2.68E+08 2.28E+08 1.91E+08 2.71E+08 2.97E+08 4.02E+08 2.47E+08 1.59E+08 2.94E+08 2.98E+08 2.2E+08 3.13E+08 3.4E+08 2.82E+08 3.06E+08 2.24E+08 3.1E+08 2.07E+08 2.74E+08 3.48E+08 2.3E+08 1.56E+08 3.43E+08 1.68E+08 2.09E+08 3.29E+08 2.5E+08 2.71E+08 1.99E+08 2.58E+08 3.49E+08 3.56E+08 2.04E+08 3.02E+08 4.53E+08 2.63E+08 1.95E+08 2.18E+08 3.68E+08 2.86E+08 2.87E+08 3.56E+08 1.85E+08 3.2E+08 1.49E+08 2.1E+08 2.73E+08 3.22E+08 2.92E+08 1.9E+08 3.02E+08 Ureidoacrylate 1.89E+04 4.34E+05 5.82E+05 2.36E+05 1.61E+04 6.61E+05 6.39E+05 1.82E+05 7.18E+05 3.55E+05 3.83E+06 5.06E+04 2.16E+05 4.35E+05 1.64E+05 3E+05 8.4E+04 4.98E+05 8.66E+04 1.1E+06 5.52E+04 3.73E+03 5.65E+05 1.66E+03 5.73E+06 2.79E+05 1.84E+04 1.89E+06 2.74E+03 6.67E+03 4.66E+05 8.45E+04 5.22E+05 9.57E+05 5.44E+05 1.44E+06 1.05E+05 1.37E+06 9.56E+05 3.12E+05 7.72E+05 3.62E+05 2.95E+05 6.43E+05 1.87E+05 3.16E+03 2.03E+06 3.33E+05 3.38E+05 7.75E+05 9.31E+05 Uridine_1 7.11E+06 5.4E+06 4.74E+06 1.71E+06 3.46E+06 5.13E+06 3.69E+06 2.86E+06 4.29E+06 2.49E+06 4.21E+06 4.51E+06 3.33E+06 8.98E+06 5.89E+06 5E+06 5.79E+06 3.6E+06 3.23E+06 5.61E+06 2.56E+06 4.62E+06 3.87E+06 3.84E+06 2.74E+06 4.42E+06 3.48E+06 3.46E+06 4E+06 8.55E+06 7.26E+06 3.06E+06 3.52E+06 4.53E+06 6.54E+06 4.18E+06 2.98E+06 3.35E+06 4.02E+06 4.5E+06 6.62E+06 5.52E+06 3.28E+06 5.57E+06 4.41E+06 3.12E+06 3.35E+06 3.74E+06 5.3E+06 4.01E+06 7.81E+06 Uridine_2 6.08E+06 3.21E+06 4.35E+06 4.11E+06 3.43E+06 4.91E+06 4.08E+06 1.86E+06 3.19E+06 3.65E+06 4.05E+06 3.95E+06 3.89E+06 3.26E+06 2.98E+06 2.62E+06 3.24E+06 3.52E+06 4.62E+06 2.62E+06 3.98E+06 3.86E+06 3.92E+06 2.86E+06 3.71E+06 3.21E+06 2.79E+06 3.41E+06 3.9E+06 3.17E+06 3.53E+06 5.03E+06 3.56E+06 3.08E+06 2.96E+06 3.11E+06 2.68E+06 2.98E+06 3.01E+06 4.42E+06 3.05E+06 3.46E+06 2.71E+06 2.98E+06 3.54E+06 2.47E+06 5.04E+06 3.26E+06 2.71E+06 2.42E+06 6.1E+06 Urocanate_1 2E+06 7.77E+05 6.28E+05 6.12E+05 3.16E+06 3.15E+05 4.92E+05 7.19E+05 6.69E+05 7.81E+05 1.46E+06 6.38E+05 8.32E+05 3.31E+06 6.64E+05 9.02E+05 1.22E+06 7.13E+05 1.15E+06 1.46E+06 1.87E+06 1.77E+06 4.95E+05 1.26E+06 1.29E+06 5.34E+05 8.41E+05 7.65E+05 2.71E+06 9.02E+05 9.12E+05 8.49E+05 1.04E+06 2.07E+06 3.22E+06 8.34E+05 9.94E+05 1.31E+06 1.07E+06 7.88E+05 8.93E+05 8.65E+05 1.31E+06 1.2E+06 1.01E+06 4.66E+05 2.81E+06 6.45E+05 1.75E+06 1.08E+06 1.21E+06 Urocanate_2 3.97E+05 9.81E+04 1.87E+05 1.07E+05 1.22E+05 7.63E+04 1.38E+05 1.7E+05 1.73E+05 9.33E+04 1.09E+05 5.33E+04 1.17E+05 1.26E+05 2.32E+05 1.96E+04 1.41E+05 1.38E+05 1.07E+05 1.4E+05 2.43E+05 7.88E+04 1.51E+05 2.4E+05 2.85E+05 1.79E+05 2.4E+04 7.34E+04 1.93E+05 1.87E+05 8.23E+04 3.81E+05 1.4E+05 1.6E+05 9.66E+04 8.17E+04 4.37E+05 7.32E+04 2.39E+05 4.91E+05 5.69E+04 2.14E+05 1.52E+05 1.96E+05 1.27E+05 2.16E+05 4.38E+04 6.79E+04 1.68E+05 1.18E+05 1.82E+05 Vanillyl alcohol 1.22E+05 9.67E+03 1.85E+04 3.17E+04 5.26E+04 6.76E+04 5.67E+04 2.35E+04 2.03E+04 3.25E+04 4.67E+04 2.97E+04 2.22E+05 1.88E+05 1.14E+05 4.35E+04 5.31E+04 2.07E+04 2.27E+04 7.04E+04 1.63E+04 1.34E+05 4.02E+04 4.14E+04 4.08E+04 1.73E+04 1.17E+04 9.85E+03 4.38E+04 2.17E+05 1.6E+05 2.99E+04 2.97E+04 1.15E+05 8.6E+04 3.11E+04 6.45E+04 6.88E+04 3.89E+04 2.38E+04 1.07E+05 9.91E+04 2.04E+04 5.41E+04 1.3E+05 5.5E+04 1.39E+04 1.7E+04 6.5E+04 1.8E+04 1.79E+05 Warfarin 4.58E+06 2.99E+06 6.24E+06 2.79E+06 6.5E+06 3.2E+06 3.09E+06 5.98E+06 4.05E+06 5.79E+06 7.72E+06 3.22E+06 3.25E+06 3.16E+06 4.24E+06 5.64E+06 4.56E+06 4.37E+06 3.32E+06 9.05E+06 4.18E+06 5.25E+06 4E+06 3.06E+06 5.26E+06 4.02E+06 5.36E+06 2.94E+06 4.53E+06 3.28E+06 3.37E+06 3.61E+06 4.51E+06 6.36E+06 4.94E+06 6.43E+06 4.5E+06 4.45E+06 5.02E+06 3.58E+06 3.36E+06 3.04E+06 3.46E+06 3.18E+06 3.86E+06 7.2E+06 6.35E+06 5.81E+06 3.99E+06 3.75E+06 2.86E+06 WR 1065 4.7E+07 5.04E+07 3.89E+07 4.8E+07 4.57E+07 5.19E+07 4.74E+07 4.89E+07 4.42E+07 4.29E+07 4.72E+07 4.74E+07 5.42E+07 4.22E+07 4.32E+07 4.2E+07 4.43E+07 4.09E+07 4.6E+07 4.27E+07 4.43E+07 4.4E+07 4.25E+07 4.62E+07 4.5E+07 4.26E+07 4.44E+07 4.75E+07 3.83E+07 4.23E+07 4.19E+07 4.09E+07 4.13E+07 4.15E+07 4.17E+07 4.31E+07 4.29E+07 4.27E+07 4.07E+07 3.78E+07 4.71E+07 4.11E+07 4.13E+07 4.18E+07 4E+07 4.36E+07 4.55E+07 4.2E+07 4.09E+07 3.99E+07 4.52E+07 Xanthan 3.63E+06 3.61E+06 3.3E+06 3.46E+06 3.63E+06 3.57E+06 3.1E+06 3.91E+06 3.68E+06 3.9E+06 3.38E+06 3.91E+06 3.84E+06 3.92E+06 3.8E+06 3.72E+06 3.86E+06 3.85E+06 3.67E+06 3.96E+06 3.81E+06 3.64E+06 3.81E+06 3.85E+06 3.72E+06 3.55E+06 3.6E+06 3.67E+06 3.62E+06 3.7E+06 3.77E+06 3.68E+06 3.79E+06 3.73E+06 3.92E+06 3.82E+06 3.86E+06 3.94E+06 3.73E+06 3.82E+06 3.85E+06 3.96E+06 3.73E+06 3.96E+06 3.79E+06 3.78E+06 3.71E+06 3.85E+06 3.86E+06 3.81E+06 3.38E+06 Xanthine 9.07E+06 4.56E+06 8.28E+06 4.38E+06 6.81E+06 4.18E+06 3.91E+06 4.26E+06 3.99E+06 5.48E+06 1.01E+07 6.86E+06 4.63E+06 7.08E+06 5.63E+06 7.91E+06 7.39E+06 6.01E+06 5.8E+06 1.14E+07 5.13E+06 6.68E+06 5.2E+06 4.49E+06 6.98E+06 6.13E+06 4.01E+06 5.05E+06 8.82E+06 6.84E+06 5.3E+06 7.37E+06 1.22E+07 1.07E+07 8.12E+06 5.54E+06 6.6E+06 6.63E+06 1.17E+07 5.06E+06 1.02E+07 8.36E+06 9.52E+06 5.2E+06 6.37E+06 5.26E+06 9.7E+06 8.14E+06 5.7E+06 6.93E+06 5.42E+06 XYLITOL 1.21E+06 6.72E+04 1.05E+06 9.82E+05 1.8E+05 1.11E+06 9.57E+05 6.08E+05 1.99E+06 7.12E+05 2E+06 9.11E+05 1.07E+06 1.48E+06 6.43E+05 1.1E+06 1.12E+06 1.51E+06 1.37E+06 1.07E+06 8.74E+05 1.2E+06 9.03E+05 2.36E+05 2.14E+06 4.9E+04 3.29E+05 4.25E+05 9.31E+05 2.45E+06 1.19E+06 9.28E+05 1.07E+06 8.54E+05 1.54E+06 5.92E+05 7.64E+05 1.36E+06 9.82E+05 5.92E+05 2.43E+06 7.62E+05 7.78E+05 8.26E+05 5.74E+05 1.11E+06 2.13E+06 1.05E+06 9.51E+05 9.76E+05 1.13E+06 ZAPA 2.12E+06 1.6E+06 1.42E+06 1.69E+06 9.76E+05 2.04E+06 1.69E+06 5.52E+05 2.06E+06 1.95E+06 8.17E+05 1.85E+06 2.47E+06 1.4E+06 6.49E+05 1.08E+06 6.56E+05 5.2E+05 1.6E+06 7.32E+05 2.18E+06 1.64E+06 1E+06 2.02E+06 5.67E+05 2.07E+06 9.84E+05 7.15E+05 3.45E+06 5.66E+05 1.18E+06 7.15E+05 4.36E+05 2.49E+06 8.68E+05 6.36E+05 1.92E+06 1.23E+06 2E+06 4.86E+06 5.74E+05 2.74E+06 1.93E+06 4.79E+05 2.15E+06 7.9E+05 2.37E+06 5.52E+05 1.75E+06 1.57E+06 2.48E+06 Zeatin 2.9E+06 9.85E+05 1.71E+06 9.66E+05 1.46E+06 1.51E+06 1.29E+06 1.42E+06 1.04E+06 1.26E+06 2.04E+06 1.75E+06 1.33E+06 4.73E+06 2.64E+06 1.26E+06 1.85E+06 1.54E+06 9.13E+05 1.34E+06 7.72E+05 1.82E+06 1.56E+06 1.05E+06 1.08E+06 1.04E+06 9.2E+05 4.28E+05 1.28E+06 6.07E+06 2.41E+06 2.07E+06 1.72E+06 1.02E+06 2.16E+06 8.5E+05 9.7E+05 1.69E+06 1.24E+06 9.44E+05 2.53E+06 1.03E+06 7.35E+05 9.72E+05 2.24E+06 1.64E+06 1.75E+06 1.63E+06 9.17E+05 6.56E+05 2.93E+06 Zingerone 6.06E+07 3.65E+07 3.89E+07 3.75E+07 4.43E+07 3.56E+07 4.12E+07 4.23E+07 4E+07 4.41E+07 3.81E+07 3.98E+07 4.26E+07 3.92E+07 3.84E+07 3.96E+07 3.91E+07 4.22E+07 3.66E+07 3.4E+07 4.22E+07 5.16E+07 4.12E+07 4.33E+07 4.16E+07 3.44E+07 3.87E+07 3.53E+07 3.85E+07 3.57E+07 4.06E+07 4.58E+07 3.8E+07 4.35E+07 3.29E+07 3.32E+07 4.22E+07 5.83E+07 3.87E+07 3.59E+07 3.79E+07 3.83E+07 3.99E+07 3.79E+07 4.12E+07 4.47E+07 8.01E+07 4.23E+07 3.73E+07 3.82E+07 4.26E+07 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Retention Index PubChem CID KEGG ID mass spectrum (-)-Columbianetin 9.43 442104 C09210 247.0941 (-)-Glyceollin I 8.84 162807 C01701 170.0651 (-)-Jasmonic acid 12.75 5281166 C08491 211.1330 (-)-Limonene_1 8.46 439250 C00521 137.1326 (-)-Limonene_2 11.74 439250 C00521 137.1326 (-)-Limonene_3 12.61 439250 C00521 137.1326 (-)-Menthyl acetate_1 12.70 220674 C09870 199.1695 (-)-Menthyl acetate_2 15.16 220674 C09870 199.1695 (-)-Menthyl acetate_3 13.73 220674 C09870 199.1694 (-)-Sympatol_1 8.85 854067 C01869 168.1020 (-)-Sympatol_2 7.29 854067 C01869 168.1020 (+)-Camphor_1 7.52 2537 C00808 153.1275 (+)-Camphor_2 8.41 2537 C00808 153.1275 (+)-Camphor_3 12.04 2537 C00808 153.1275 (+)-Norephedrine 10.12 26934 C02343 152.1071 (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol 14.32 NOT Found in Database C04875 294.2065 (10S)-Juvenile hormone III acid diol 11.22 23724772 C16506 271.1905 (10S)-Juvenile hormone III diol 12.01 10859043 C16505 285.2060 (3-Arylcarbonyl)-alanine 8.78 412786 C03450 194.0814 (3S,5S)-Carbapenam-3-carboxylic acid 3.40 6337945 C17367 156.0656 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid 15.87 445580 C06429 329.2475 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_1 12.48 9831416 C16185 357.2788 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_2 12.02 9831416 C16185 357.2789 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_3 11.58 9831416 C16185 357.2789 (6S,9R)-Vomifoliol 13.61 5280462 C01760 225.1486 (6Z,9Z,12Z)-Octadecatrienoic acid_1 15.59 5280933 C06426 279.2319 (6Z,9Z,12Z)-Octadecatrienoic acid_2 14.71 5280933 C06426 279.2320 (8Z,11Z,14Z)-Icosatrienoic acid 16.71 5280581 C03242 307.2632 (9Z)-Hexadecenoic acid_1 14.30 445638 C08362 255.2319 (9Z)-Hexadecenoic acid_2 16.16 445638 C08362 255.2319 (9Z)-Hexadecenoic acid_3 13.32 445638 C08362 255.2319 (9Z)-Octadecenoic acid 14.52 445639 C00712 283.2632 (9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_1 14.71 5281117 C08318 297.2425 (9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_2 15.41 5281117 C08318 297.2425 (E)-4-(Trimethylammonio)but-2-enoate_1 1.12 NOT Found in Database C04114 144.1020 (E)-4-(Trimethylammonio)but-2-enoate_2 6.80 NOT Found in Database C04114 144.1020 (E)-4-(Trimethylammonio)but-2-enoate_3 6.39 NOT Found in Database C04114 144.1020 (E)-4-(Trimethylammonio)but-2-enoate_4 7.12 NOT Found in Database C04114 144.1020 (E)-4-(Trimethylammonio)but-2-enoate_5 3.94 NOT Found in Database C04114 144.1020 (R)-3-((R)-3-Hydroxybutanoyloxy)butanoate 7.75 5459971 C04546 191.0895 (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1 2.12 24771808 C00450 128.0709 (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2 1.14 24771808 C00450 128.0709 (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_3 1.64 24771808 C00450 128.0709 (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_4 6.81 24771808 C00450 128.0708 (S)-ATPA_1 1.61 447407 C13733 229.1183 (S)-ATPA_2 7.64 447407 C13733 229.1185 1-(1-Oxopropyl)-1H-imidazole_1 1.15 77770 C03007 125.0713 1-(1-Oxopropyl)-1H-imidazole_2 6.28 77770 C03007 125.0713 1,2,3-Trihydroxybenzene 0.79 1057 C01108 127.0393 1,2,6-Hexanetriol 6.95 7823 C20334 135.1018 1,2-Bis(chloromethoxy)ethane 2.14 61632 C19348 158.9966 1,3,8-Naphthalenertriol 12.54 439428 C01173 177.0548 1,3-Dichloro-2-propanol 1.31 7289 C14399 128.9861 1,4'-Bipiperidine-1'-carboxylic acid_1 11.51 11367848 C16836 213.1598 1,4'-Bipiperidine-1'-carboxylic acid_2 11.16 11367848 C16836 213.1598 1,4'-Bipiperidine-1'-carboxylic acid_3 8.88 11367848 C16836 213.1598 10,16-Dihydroxyhexadecanoic acid 11.72 441449 C08285 289.2373 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide 7.94 228786 C14664 437.2363 11H-Benz[bc]aceanthrylene 0.80 164558 C19335 241.1030 11-Methoxy-vinorine 15.92 5282058 C12073 365.1886 14-Dihydroxycornestin 11.94 5281160 C08483 309.1308 17beta-Methylestra-1,3,5(10)-trien-3-ol 10.69 11954100 C15020 271.2057 1'-Acetoxychavicol acetate 9.17 119104 C10426 235.0942 1'-Acetoxyeugenol acetate 12.03 4484222 C10427 265.1046 1-Aminocyclopropane-1-carboxylate_1 1.44 5460234 C01234 102.0555 1-AMINOCYCLOPROPANE-1-CARBOXYLATE 0.79 535 102.0555 1-Aminocyclopropane-1-carboxylate_2 2.11 5460234 C01234 102.0555 1-Dehydro-9-fluoro-11-oxotestololactone 15.59 253326 C15387 333.1514 1-Hydroxy-2-methyl-2-butenyl 4-diphosphate 0.77 5281976 C11811 263.0076 1-Methyladenosine 3.89 27476 C02494 282.1198 1-Octanal_1 12.48 454 C01545 129.1276 1-Octanal_2 9.11 454 C01545 129.1276 1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine 13.84 3983 C13903 482.3611 1-Oleoylglycerophosphocholine 13.21 5280634 C03916 523.3593 1-Pyrroline-2-carboxylate_1 2.01 440046 C03564 114.0554 1-Pyrroline-2-carboxylate_2 1.25 440046 C03564 114.0555 1-Pyrroline-2-carboxylate_3 3.15 440046 C03564 114.0554 2-(Biaryl)carbapenems 9.34 443582 C12019 175.5732 2-(Methylthio)ethanesulfonate 1.11 893 C03920 156.9976 2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate 10.29 256418 C15050 191.0887 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid 10.55 441962 C09003 273.1485 2,3-Dihydroxybenzoate 2.64 54675818 C00196 155.0348 2,3-Dimethylmaleate_1 0.79 3032309 C00922 145.0496 2,3-Dimethylmaleate_2 1.90 3032309 C00922 145.0496 2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose 6.08 56927717 C19972 247.1288 2,5-Dichloro-4-oxohex-2-enedioate 0.70 5282172 C12835 226.9516 2,5-Dioxopentanoate 1.66 21872870 C00433 131.0342 2,5-Furandicarboxylate 2.05 76720 C20450 157.0133 2,6-Diamino-7-hydroxy-azelaic acid 9.13 443585 C12025 235.1307 21,22-Diprenylpaxilline_1 13.84 71745339 C20561 572.3716 21,22-Diprenylpaxilline_2 13.41 71745339 C20561 572.3718 2-Aceto-2-hydroxybutanoate 0.86 21 C00659 147.0653 2-Amino-1,2-bis(p-chlorophenyl)ethanol 8.54 411181 C15427 282.0421 2-Amino-9,10-epoxy-8-oxodecanoic acid_1 8.30 443587 C12027 216.1229 2-Amino-9,10-epoxy-8-oxodecanoic acid_2 8.61 443587 C12027 216.1231 2-Aminomuconate 1.18 20849110 C02220 158.0449 2-Aminomuconate semialdehyde 3.14 5280625 C03824 142.0500 2-Aminophenol_1 2.10 5801 C01987 110.0605 2-Aminophenol_2 1.67 5801 C01987 110.0605 2'-Dehydrokanamycin A 12.87 71296164 C20509 242.1170 2'-DEOXYGUANOSINE 5.91 187790 268.1041 2-Ethylhexyl phthalate_1 14.84 NOT Found in Database C03343 279.1591 2-Ethylhexyl phthalate_2 13.66 NOT Found in Database C03343 279.1591 2-Ethylhexyl phthalate_3 16.86 NOT Found in Database C03343 279.1591 2-Furoate_1 0.83 5460151 C01546 113.0238 2-Furoate_2 4.26 5460151 C01546 113.0238 2-Hydroxy-1,4-benzoquinone 1.18 151011 C07103 125.0237 2-Hydroxy-2,4-pentadienoate_1 0.84 54675827 C00596 115.0394 2-Hydroxy-2,4-pentadienoate_2 4.99 54675827 C00596 115.0394 2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine 11.13 104954 C20286 241.1072 2-Hydroxycyclohexan-1-one_1 6.86 10785 C01147 115.0757 2-Hydroxycyclohexan-1-one_2 7.71 10785 C01147 115.0756 2-Hydroxycyclohexan-1-one_3 13.36 10785 C01147 115.0757 2-Hydroxymethylclavam_1 0.79 3050259 C17357 144.0657 2-Hydroxymethylclavam_2 5.15 3050259 C17357 144.0656 2-Hydroxypyridine 2.02 8871 C02502 96.0450 2-Naphthylamine_1 8.22 7057 C02227 144.0809 2-Naphthylamine_2 7.75 7057 C02227 144.0809 2-Oxobutanoate_1 0.80 58 C00109 103.0395 2-Oxobutanoate_2 2.15 58 C00109 103.0395 2-Oxooctadecanoic acid_1 15.05 439332 C00869 299.2582 2-Oxooctadecanoic acid_2 13.07 439332 C00869 299.2582 2-Phenylacetamide_1 3.62 7680 C02505 136.0759 2-Phenylacetamide_2 8.88 7680 C02505 136.0758 3-(2-Hydroxyphenyl)propanoate_1 13.52 6930705 C01198 167.0704 3-(2-Hydroxyphenyl)propanoate_2 5.33 6930705 C01198 167.0705 3-(Dimethylamino)propyl benzoate_1 7.22 2249229 C14168 208.1333 3-(Dimethylamino)propyl benzoate_2 8.18 2249229 C14168 208.1333 3-(Dimethylamino)propyl benzoate_3 8.64 2249229 C14168 208.1333 3-(Imidazol-4-yl)-2-oxopropyl phosphate_1 4.31 792 C01267 221.0332 3-(Imidazol-4-yl)-2-oxopropyl phosphate_2 6.20 792 C01267 221.0332 3-(Methylthio)propanoate 1.23 6992044 C08276 121.0319 3,3'-Dimethylbisphenol A 12.50 6620 C14339 257.1537 3,4-Dihydroxy-L-phenylalanine_1 6.34 6047 C00355 198.0762 3,4-Dihydroxy-L-phenylalanine_2 2.49 6047 C00355 198.0762 3,4-Dihydroxymandelate_1 8.85 85782 C05580 185.0446 3,4-Dihydroxymandelate_2 7.96 85782 C05580 185.0446 3,4-Dihydroxyphthalate 0.88 54723877 C03223 199.0253 3,4-Methylenedioxymethamphetamine 6.81 1615 C07577 194.1176 3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_1 13.26 15944652 C20199 239.1278 3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_2 11.15 15944652 C20199 239.1278 3-AMINO-4-HYDROXYBENZOIC ACID 1.78 65083 154.0501 3-Aminopropanesulfonate 7.05 1646 C03349 140.0365 3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine 9.80 11954081 C14914 432.2026 3-Buten-1-amine 1.20 443732 C12244 72.0816 3-Butylidene-7-hydroxyphthalide 14.84 5281559 C09921 205.0861 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone 0.72 53665 C19205 216.9230 3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1 11.25 251872 C15057 373.2736 3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2 12.78 251872 C15057 373.2736 3-Fluoro-cis,cis-muconate 2.17 9543395 C16474 161.0243 3-Hydroxyhexobarbital 9.44 439898 C03068 253.1199 3-Isopropylcatechol_1 8.97 16498 C01014 153.0911 3-Isopropylcatechol_2 8.54 16498 C01014 153.0911 3-Mercaptolactate 1.06 9833951 C05823 123.0115 3-Methyl-2-oxobutanoic acid_1 0.79 49 C00141 117.0550 3-Methyl-2-oxobutanoic acid_2 2.04 49 C00141 117.0551 3-METHYLADENINE 2.19 1673 150.0775 3-Methyldioxyindole 10.46 151066 C05834 164.0707 3-Methyleneoxindole_1 7.75 150946 C02796 146.0602 3-Methyleneoxindole_2 9.89 150946 C02796 146.0601 3-Methyleneoxindole_3 7.38 150946 C02796 146.0602 3-Methylguanine_1 2.80 76292 C02230 166.0724 3-Methylguanine_2 3.73 76292 C02230 166.0724 3-Oxalomalate 11.70 5459790 C01990 207.0144 3-Oxo-5beta-cholanate_1 12.47 439899 C03070 375.2894 3-Oxo-5beta-cholanate_2 12.02 439899 C03070 375.2894 3-Oxododecanoic acid_1 11.42 439717 C02367 215.1642 3-Oxododecanoic acid_2 12.61 439717 C02367 215.1644 3-Oxohexobarbital 9.34 439745 C02517 252.1116 3-Sulfocatechol 1.79 9543247 C06336 191.0002 3-tert-Butyl-5-methylcatechol 11.55 66095 C03929 181.1224 3-UREIDOPROPIONATE 1.33 111 133.0610 4,8-Dihydroxyquinoline_1 9.65 440737 C05637 162.0550 4,8-Dihydroxyquinoline_2 8.07 440737 C05637 162.0551 4-Acetamidobutanoate_1 2.44 6991994 C02946 146.0813 4-Acetamidobutanoate_2 4.91 6991994 C02946 146.0813 4-Acetamidobutanoate_3 6.90 6991994 C02946 146.0813 4-Acetamidobutanoate_4 1.63 6991994 C02946 146.0813 4-ACETAMIDOBUTANOATE 3.71 18189 168.0631 4a-Hydroxytetrahydrobiopterin 3.67 129803 C15522 258.1197 4-Amino-1-piperidinecarboxylic acid 1.76 445262 C16837 145.0972 4-Amino-2-hydroxylamino-6-nitrotoluene 1.07 9543061 C16403 184.0718 4-Aminobiphenyl 13.82 7102 C10998 170.0965 4-AMINOBUTANOATE 0.87 119 104.0712 4-Aminobutyraldehyde_1 1.58 118 C00555 88.0764 4-Aminobutyraldehyde_2 0.96 118 C00555 88.0764 4-Carboxy-4-hydroxy-2-oxoadipate 3.43 130 C04115 221.0283 4-Chloroacetanilide 2.28 10871 C14494 170.0365 4-Dodecylphenol_1 16.38 66030 C14245 263.2371 4-Dodecylphenol_2 15.41 66030 C14245 263.2371 4-Fluorocyclohexadiene-cis,cis-1,2-diol 6.42 11829464 C16483 131.0493 4-Fluoro-L-threonine 9.28 128057 C15533 138.0571 4-Guanidinobutanal 1.73 25200663 C02647 130.0978 4-Guanidinobutanoate 8.22 500 C01035 146.0934 4-GUANIDINOBUTANOATE 1.75 500 146.0925 4-Hexyloxyphenol 12.74 29354 C14305 195.1381 4-Hydroxy-2-butynal_1 0.79 439778 C02648 85.0291 4-Hydroxy-2-butynal_2 1.45 439778 C02648 85.0291 4-Hydroxy-2-quinolinecarboxylic acid 7.84 3845 C01717 190.0499 4-Hydroxybutanoic acid_1 2.26 10413 C00989 105.0552 4-Hydroxybutanoic acid_2 0.80 10413 C00989 105.0551 4-HYDROXY-L-PHENYLGLYCINE 0.80 36143 168.0657 4-Hydroxyphenylacetate 9.12 127 C00642 153.0547 4-IMIDAZOLEACETIC ACID 1.05 96215 127.0504 4-Imidazolone-5-propanoate 1.05 128 C03680 157.0610 4-Maleylacetoacetate 2.45 5280393 C01036 101.0239 4-Methyl-2-oxopentanoate 3.40 70 C00233 131.0705 4-Methylene-L-glutamate 1.89 6971046 C00651 160.0605 4-Methylene-L-glutamine_1 0.84 439401 C01109 159.0765 4-Methylene-L-glutamine_2 1.24 439401 C01109 159.0766 4-Methylene-L-glutamine_3 4.23 439401 C01109 159.0765 4-Oxoproline_1 0.77 107541 C01877 130.0501 4-Oxoproline_2 2.47 107541 C01877 130.0503 4-Pyridoxate 6.02 6723 C00847 184.0606 4-Vinylcyclohexene_1 8.59 7499 C19310 109.1018 4-Vinylcyclohexene_2 9.97 7499 C19310 109.1018 4-Vinylcyclohexene_3 9.42 7499 C19310 109.1018 5-(2-Hydroxyethyl)-4-methylthiazole_1 5.90 1136 C04294 144.0480 5-(2-Hydroxyethyl)-4-methylthiazole_2 6.23 1136 C04294 144.0479 5,6-Dihydrothymine_1 0.94 93556 C00906 129.0662 5,6-Dihydrothymine_2 3.20 93556 C00906 129.0661 5,6-Dihydrothymine_3 1.80 93556 C00906 129.0662 5,6-DIHYDROURACIL 1.44 649 115.0507 5,6-Dihydrouracil 2.24 649 C00429 115.0506 5-Acetamidopentanoate_1 2.27 439903 C03087 160.0969 5-Acetamidopentanoate_2 8.22 439903 C03087 160.0969 5-Acetamidopentanoate_3 1.25 439903 C03087 160.0969 5-Acetamidopentanoate_4 5.35 439903 C03087 160.0969 5-Acetamidopentanoate_5 7.23 439903 C03087 160.0969 5-Acetamidopentanoate_6 2.84 439903 C03087 160.0969 5-Acetamidopentanoate_7 3.66 439903 C03087 160.0971 5-Aminolevulinate_1 1.98 137 C00430 132.0658 5-Aminolevulinate_2 1.18 137 C00430 132.0657 5-Aminolevulinate_3 2.47 137 C00430 132.0660 5-Aminolevulinate_4 4.65 137 C00430 132.0658 5-AMINOLEVULINIC ACID 0.79 137 132.0657 5-AMINOPENTANOATE 1.20 138 118.0867 5beta-Scymnol sulfate 13.83 24820757 C16261 549.3145 5-exo-Hydroxy-1,2-campholide 9.97 440138 C03843 185.1174 5-Guanidino-3-methyl-2-oxopentanoate 0.97 46173323 C20234 188.1031 5-Hydroxyindoleacetate 6.64 1826 C05635 192.0656 5-Hydroxyindoleacetylglycine 7.10 440806 C05832 249.0869 5-Hydroxyisourate_1 1.97 250388 C11821 185.0307 5-Hydroxyisourate_2 3.81 250388 C11821 185.0289 5-Hydroxy-L-tryptophan_1 4.06 439280 C00643 221.0922 5-Hydroxy-L-tryptophan_2 6.80 439280 C00643 221.0922 5-Hydroxy-L-tryptophan_3 2.34 439280 C00643 221.0922 5-Hydroxy-L-tryptophan_4 11.93 439280 C00643 221.0935 5'-Methylthioadenosine 8.85 439176 C00170 298.0965 5-Methylthio-D-ribose 1.25 439904 C03089 181.0530 5-O-Methyl-myo-inositol 7.99 439990 C03365 195.0878 5-Oxoavermectin ''1a'' aglycone 13.54 11953988 C11978 583.3240 5-OXO-L-PROLINE 1.96 7405 130.0502 5-Ureido-4-imidazole carboxylate 8.07 155 C05515 171.0499 5-Valerolactone_1 4.32 10953 C02240 101.0603 5-Valerolactone_2 4.02 10953 C02240 101.0603 5-Valerolactone_3 0.89 10953 C02240 101.0603 6-DEOXY-L-GALACTOSE 0.89 17106 187.0578 6-endo-Hydroxycineole_1 12.49 6857383 C03092 171.1381 6-endo-Hydroxycineole_2 12.07 6857383 C03092 171.1381 6-Hydroxyprotopine 10.89 440587 C05190 370.1318 6-Hydroxypseudooxynicotine 5.63 439476 C01297 195.1128 6-Methoxymellein 10.22 83412 C02381 209.0809 6-Methylmercaptopurine 1.42 5778 C16614 167.0373 7-Dehydrodesmosterol 15.09 440558 C05107 383.3311 8-Amino-7-oxononanoate_1 3.38 173 C01092 188.1282 8-Amino-7-oxononanoate_2 7.38 173 C01092 188.1282 8-Amino-7-oxononanoate_3 8.39 173 C01092 188.1282 8-Hydroxyalanylclavam 1.03 46173889 C17359 217.0820 9,12,13-TriHOME_1 11.19 9858729 C14833 331.2479 9,12,13-TriHOME_2 11.77 9858729 C14833 331.2479 9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione 16.37 236828 C15105 335.1668 9-Oxononanoic acid 8.44 75704 C16322 173.1174 Abietate 15.45 10569 C06087 303.2319 Abscisate_1 11.18 5280896 C06082 265.1433 Abscisate_2 10.78 5280896 C06082 265.1412 Acetone cyanohydrin_1 1.42 6406 C02659 86.0607 Acetone cyanohydrin_2 2.54 6406 C02659 86.0607 Acetone cyanohydrin_3 1.96 6406 C02659 86.0607 Acetylcysteine 0.99 12035 C06809 164.0375 Acridine 8.79 9215 C20141 180.0808 ADENINE 1.61 190 136.0620 Adenine 5.91 190 C00147 136.0620 Adifoline 12.18 441972 C09020 425.1359 Allamandin 3.85 5281540 C09766 309.0993 ALLANTOIN 0.87 204 159.0514 Allophanic acid methyl ester 2.74 12976 C10899 119.0457 alpha,beta-Didehydrotryptophan 4.06 5280990 C06732 203.0816 ALPHA-AMINOADIPATE 0.98 92136 162.0762 alpha-EMTBL_1 5.15 128423 C13720 145.0689 alpha-EMTBL_2 4.67 128423 C13720 145.0689 alpha-Erythroidine 12.64 441076 C06531 274.1447 alpha-Oxo-benzeneacetic acid 7.09 11915 C02137 151.0394 alpha-Sinensal_1 14.43 5281534 C09729 219.1745 alpha-Sinensal_2 15.92 5281534 C09729 219.1746 alpha-Sinensal_3 12.92 5281534 C09729 219.1745 alpha-Sinensal_4 13.96 5281534 C09729 219.1745 alpha-Tocopherol 16.54 14985 C02477 431.3884 AMPA_1 1.24 1221 C13672 187.0714 AMPA_2 1.72 1221 C13672 187.0714 Ampicillin 8.01 6249 C06574 350.1165 Ancitabin hydrochloride 0.89 25050 C13112 131.5338 Androsterone glucuronide 12.82 114833 C11135 467.2621 Aniflorine 9.38 442881 C10635 352.1656 Anthranilate 8.78 227 C00108 138.0551 Apiole_1 11.13 10659 C10429 223.0966 Apiole_2 12.54 10659 C10429 223.0966 Apoatropine_1 9.65 64695 C10843 272.1645 Apoatropine_2 11.18 64695 C10843 272.1645 Apraclonidine 3.81 2216 C07668 245.0342 Arachidonate 16.12 444899 C00219 305.2476 Arbutin 8.36 440936 C06186 273.0957 Aristolochic acid 3.01 2236 C08469 171.5342 Aromatic aldehyde_1 8.89 240 C00193 107.0496 Aromatic aldehyde_2 6.42 240 C00193 107.0496 Aromatic aldehyde_3 3.62 240 C00193 107.0496 Aromatic aldehyde_4 6.95 240 C00193 107.0496 Aromatic aldehyde_5 7.94 240 C00193 107.0496 Austrobailignan 1 0.78 325700 C10546 383.1159 Azelaic acid 9.34 2266 C08261 189.1123 Bakkenolide A 14.33 442173 C09350 235.1694 Batrachotoxin 13.21 6324647 C13750 539.3138 Beclomethasone 12.50 20469 C06842 409.1748 Benzoate 3.62 242 C00180 123.0444 Benzofuran_1 3.62 9223 C14512 119.0495 Benzofuran_2 6.78 9223 C14512 119.0496 Benzyl alcohol 10.91 244 C00556 109.0653 Benzyl nicotinate 11.52 7191 C12865 214.0855 Bergaptol_1 1.18 5280371 C00758 203.0348 Bergaptol_2 10.95 5280371 C00758 203.0340 BETA-ALANINE 0.78 239 90.0556 beta-Carboline_1 8.61 64961 C20157 169.0760 beta-Carboline_2 8.23 64961 C20157 169.0761 beta-Carboline_3 9.24 64961 C20157 169.0760 beta-Carboline_4 10.56 64961 C20157 169.0757 BETAINE 0.87 247 118.0866 Betamethasone 7.79 9782 C06848 393.2094 Bilirubin 11.98 5280352 C00486 585.2708 Bis(2-chloroethyl)ether_1 2.33 8115 C14688 143.0017 Bis(2-chloroethyl)ether_2 1.63 8115 C14688 143.0016 Bombykal 16.13 6444828 C20128 237.2214 Boschnialactone_1 10.64 442420 C09772 155.1067 Boschnialactone_2 9.99 442420 C09772 155.1067 Botrydial_1 12.30 185781 C09622 311.1852 Botrydial_2 12.64 185781 C09622 311.1853 Buddledin A_1 12.24 5281514 C09623 277.1798 Buddledin A_2 14.65 5281514 C09623 277.1799 Buddledin A_3 14.32 5281514 C09623 277.1799 Buprenorphine 12.64 644073 C08007 468.3089 Burseran 12.18 276155 C10547 387.1807 C20913 8.55 NOT Found in Database C20913 235.0941 Calcitriol 15.83 5280453 C01673 417.3360 Calcium salicylate 1.30 517068 C19600 315.0188 Callytriol C 7.62 10593857 C17005 349.1832 Calystegin B2_1 5.05 443000 C10851 176.0918 Calystegin B2_2 1.16 443000 C10851 176.0919 Calystegin B2_3 6.84 443000 C10851 176.0918 Calystegin B2_4 3.42 443000 C10851 176.0919 Carbamazepine 10.63 2554 C06868 237.1024 Carbamorph 8.45 35953 C18923 221.0786 Carpacin 10.90 5281763 C10435 193.0862 Castanospermine_1 9.21 54445 C02256 190.1056 Castanospermine_2 3.07 54445 C02256 190.1074 Castanospermine_3 7.72 54445 C02256 190.1075 Catechol_1 0.89 289 C00090 111.0446 Catechol_2 1.33 289 C00090 111.0445 CCCP 1.30 2603 C11164 205.0289 Cerulenin 6.41 5282054 C12058 224.1282 Chloromethiuron 2.32 3034465 C19026 229.0550 Chrysoidine free base 9.37 10317 C14617 213.1121 Cidofovir 0.89 60613 C06909 140.5389 Cilastatin 16.12 6435415 C01675 359.1669 Cinnamaldehyde 11.39 637511 C00903 133.0650 cis-1,2-Dihydro-3-ethylcatechol_1 7.39 441155 C06727 141.0911 cis-1,2-Dihydro-3-ethylcatechol_2 8.51 441155 C06727 141.0911 cis-1,2-Dihydronaphthalene-1,2-diol_1 14.68 440294 C04314 163.0755 cis-1,2-Dihydronaphthalene-1,2-diol_2 11.15 440294 C04314 163.0755 cis-1,2-Dihydronaphthalene-1,2-diol_3 14.34 440294 C04314 163.0755 cis-2,3-Dihydroxy-2,3-dihydro-p-cumate 7.68 9543088 C06579 199.0966 cis-2-Carboxycyclohexyl-acetic acid_1 8.14 656884 C14112 187.0966 cis-2-Carboxycyclohexyl-acetic acid_2 8.55 656884 C14112 187.0966 cis-Aconitate 2.05 643757 C00417 175.0240 CITRATE 2.05 311 215.0163 CITRULLINE 0.84 9750 176.1030 CMN 131 1.38 3035162 C15663 95.0168 Coenzyme B 8.96 5462265 C04628 172.5495 Coniferyl alcohol_1 11.15 1549095 C00590 181.0860 Coniferyl alcohol_2 9.12 1549095 C00590 181.0861 Corticosterone 11.09 5753 C02140 347.2214 Cortisol 9.99 5754 C00735 363.2165 Cortisone 10.17 222786 C00762 361.2010 Coumarin_1 3.62 323 C05851 147.0442 Coumarin_2 7.79 323 C05851 147.0442 CREATINE 0.97 586 132.0769 Creatine 7.75 586 C00300 132.0779 CREATININE 1.00 588 114.0667 Crotanecine_1 8.38 394146 C10284 172.0969 Crotanecine_2 3.67 394146 C10284 172.0969 Cucurbic acid_1 12.60 5281159 C08482 213.1488 Cucurbic acid_2 11.91 5281159 C08482 213.1487 Cucurbic acid_3 11.05 5281159 C08482 213.1487 Cucurbitine_1 1.07 442634 C10140 131.0818 Cucurbitine_2 2.19 442634 C10140 131.0818 Cumene 12.15 7406 C14396 121.1016 Cycasin_1 8.99 5459896 C01418 253.1047 Cycasin_2 8.08 5459896 C01418 253.1046 Cycloheptanecarboxylic acid_1 7.07 15091 C12104 143.1068 Cycloheptanecarboxylic acid_2 9.32 15091 C12104 143.1068 Cycloheptanecarboxylic acid_3 8.74 15091 C12104 143.1068 Cyclohexane-1,3-dione_1 3.40 10434 C01066 113.0602 Cyclohexane-1,3-dione_2 11.94 10434 C01066 113.0601 Cyclohexane-1,3-dione_3 7.22 10434 C01066 113.0601 Cyclohexanone 6.78 7967 C00414 99.0810 Cyclohexylamine_1 6.89 7965 C00571 100.1126 Cyclohexylamine_2 6.53 7965 C00571 100.1126 Cyphenothrin 16.37 38283 C12962 376.1931 CYTIDINE 1.76 6175 244.0928 Cytosine_1 5.75 597 C00380 112.0510 Cytosine_2 1.76 597 C00380 112.0510 D-(-)-ARABINOSE 0.84 66308 173.0422 D-(+)-GLUCOSAMINE 0.79 439213 180.0867 Daimuron 13.38 39238 C18427 269.1646 D-Alanyl-D-alanine_1 3.68 5460362 C00993 161.0921 D-Alanyl-D-alanine_2 6.55 5460362 C00993 161.0921 Debrisoquin 8.66 2966 C13650 176.1183 Deethylatrazine 7.75 22563 C06559 188.0707 Dehydroalanine_1 1.15 123991 C02218 88.0400 Dehydroalanine_2 6.80 123991 C02218 88.0400 Dehydroalanine_3 7.34 123991 C02218 88.0400 Dehydroalanine_4 8.38 123991 C02218 88.0401 delta-Guanidinovaleric acid_1 3.74 160464 C13688 160.1082 delta-Guanidinovaleric acid_2 1.61 160464 C13688 160.1081 DEOXYCARNITINE 1.45 725 146.1177 Deoxycytidine 1.19 13711 C00881 228.0979 Deoxyvasicinone 9.22 68261 C10659 187.0867 D-GLUCONO-1,5-LACTONE 0.81 7027 219.0475 D-Glucosamine 5.75 439213 C00329 180.0880 D-Glucose_1 7.47 5793 C00031 181.0721 D-Glucose_2 7.09 5793 C00031 181.0721 Diacetyl_1 2.24 650 C00741 87.0447 Diacetyl_2 0.79 650 C00741 87.0447 Diacetyl_3 1.88 650 C00741 87.0448 Diethanolamine 0.96 8113 C06772 106.0869 Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_1 8.09 440395 C04586 205.1069 Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_2 7.55 440395 C04586 205.1071 Diethyl 2-methyl-3-oxosuccinate 7.35 97750 C04067 203.0915 Diethyl sulfate 1.24 6163 C14706 155.0372 Diethylene glycol_1 8.91 8117 C14689 107.0707 Diethylene glycol_2 13.74 8117 C14689 107.0708 Diethylthiophosphoric acid 1.30 655 C06607 171.0245 Digallate 9.49 54711004 C01572 323.0369 Dihydro-4,4-dimethyl-2,3-furandione 0.89 39 C01125 129.0549 Dihydroclavaminic acid_1 6.29 441125 C06659 201.0871 Dihydroclavaminic acid_2 3.23 441125 C06659 201.0871 Diisopropyl phosphate 7.59 21884945 C03113 183.0777 Diisopropyl phthalate_1 12.27 11799 C14468 251.1278 Diisopropyl phthalate_2 10.11 11799 C14468 251.1258 Dikegulac 7.20 65420 C18825 275.1101 Diltiazem 9.34 39186 C06958 415.1646 Dimethachlor_1 10.82 39722 C18718 256.1081 Dimethachlor_2 9.19 39722 C18718 256.1096 Dimethylcarbamoyl chloride 1.82 6598 C19175 108.0211 Dimethylenetriurea 11.21 441000 C06385 205.1044 Dinotefuran 1.32 197701 C18509 203.1139 Diphenhydramine 11.18 3100 C06960 256.1696 Distigmine 12.21 27522 C16823 417.2484 D-Lysopine_1 6.61 193187 C04020 219.1340 D-Lysopine_2 2.75 193187 C04020 219.1340 D-Lysopine_3 2.29 193187 C04020 219.1340 D-Octopine_1 16.34 108172 C04137 247.1398 D-Octopine_2 2.99 108172 C04137 247.1401 Dodecanamide 12.63 14256 C13831 200.2010 Dodemorph 16.19 61899 C18786 282.2792 D-Ribose 1.29 10975657 C00121 151.0603 D-SORBITOL 0.78 5780 205.0681 dUMP 1.29 65063 C00365 155.0284 D-Xylonate 6.56 5460056 C00502 167.0564 Ectoine 1.10 126041 C06231 143.0817 EDTA 0.92 6049 C00284 293.0979 Emedastine 11.81 3219 C07785 303.2167 epsilon-Caprolactam_1 7.18 7768 C06593 114.0917 epsilon-Caprolactam_2 8.22 7768 C06593 114.0917 Estradiol-17beta 3-sulfate 9.32 66416 C08357 177.0730 Ethosuximide_1 2.27 3291 C07505 142.0865 Ethosuximide_2 8.22 3291 C07505 142.0864 Ethosuximide_3 1.36 3291 C07505 142.0863 Ethosuximide_4 6.06 3291 C07505 142.0864 Ethosuximide_5 7.23 3291 C07505 142.0864 Ethyl cinnamate 9.42 637758 C06359 177.0910 Ethyl tiglate 8.11 5281163 C08487 129.0913 Etidronic acid 2.24 3305 C07736 206.9798 Etodolac 13.62 3308 C06991 288.1603 Etomidate 8.84 36339 C07522 245.1286 Euxanthone 1.32 5281631 C10061 115.0289 Fagomine_1 4.30 72259 C10144 148.0969 Fagomine_2 1.30 72259 C10144 148.0969 Fagomine_3 1.93 72259 C10144 148.0969 Fagomine_4 3.78 72259 C10144 148.0969 Fasoracetam 7.63 198695 C13311 197.1285 Fenoldopam 1.93 3341 C07693 153.5468 Fenpropathrin 16.07 47326 C18411 350.1780 Feruloylputrescine 8.17 5281796 C10497 265.1547 Fexofenadine_1 12.96 3348 C06999 502.2934 Fexofenadine_2 12.56 3348 C06999 502.2935 Fexofenadine_3 11.86 3348 C06999 502.2935 Fexofenadine_4 11.53 3348 C06999 502.2934 Flumethasone 11.46 16490 C14479 411.1993 Fluorene 12.00 6853 C07715 167.0857 Fuberidazole 9.12 19756 C18737 185.0711 Fumarate 1.38 5460307 C00122 117.0175 Furathiocarb 15.87 47759 C18650 383.1672 Furfural diethyl acetal_1 9.34 83553 C14280 171.1017 Furfural diethyl acetal_2 8.95 83553 C14280 171.1018 Furfuryl alcohol 0.84 7361 C20441 99.0447 Furmecyclox 9.20 43359 C18912 252.1594 gamma-Coniceine 7.26 442632 C10138 126.1280 Glutarate_1 0.80 743 C00489 133.0497 Glutarate_2 1.28 743 C00489 133.0497 Glutarate_3 3.01 743 C00489 133.0497 Glutathione 14.04 124886 C00051 308.0889 GLYCEROL 0.84 753 115.0372 Glycerol 0.84 753 C00116 93.0553 Glycerone_1 1.30 670 C00184 91.0396 Glycerone_2 0.80 670 C00184 91.0396 Glycidyl oleate 16.34 5354568 C19426 339.2895 GLYCINE 0.76 750 76.0401 Glycine 1.29 750 C00037 76.0401 Glycocholate 10.55 10140 C01921 466.3167 Glycodeoxycholate_1 11.46 3035026 C05464 450.3217 Glycodeoxycholate_2 10.72 3035026 C05464 450.3223 Glycyl-leucine_1 4.46 92843 C02155 189.1233 Glycyl-leucine_2 6.14 92843 C02155 189.1233 Glycyl-leucine_3 2.48 92843 C02155 189.1233 Glycyl-leucine_4 5.46 92843 C02155 189.1233 Glycyl-leucine_5 6.81 92843 C02155 189.1233 Glycyrrhetinate 13.81 10114 C02283 471.3483 Guanfacine 3.84 3519 C07037 246.0192 GUANIDINOACETATE 0.84 763 118.0617 GUANINE 1.63 764 152.0569 GW 1929 12.13 6518171 C15626 248.6145 Gymnodimine 13.35 11649137 C20025 508.3406 Hercynine 10.56 5459798 C05575 199.1329 Hetacillin 9.41 443387 C11729 390.1481 Hexylamine 6.70 8102 C08306 102.1281 Hippurate 8.06 464 C01586 180.0656 Histamine 1.73 774 C00388 112.0874 HISTAMINE 0.76 774 112.0872 Homogentisate 10.38 780 C00544 169.0497 Homostachydrine_1 1.96 441447 C08283 158.1177 Homostachydrine_2 7.43 441447 C08283 158.1177 Homostachydrine_3 8.82 441447 C08283 158.1176 Homostachydrine_4 7.87 441447 C08283 158.1177 Homostachydrine_5 6.43 441447 C08283 158.1176 Hydrocortisone succinate 11.85 16623 C12888 463.2330 Hypaphorine 8.11 442106 C09213 247.1441 HYPOXANTHINE 2.15 790 137.0459 Hypoxanthine 6.25 790 C00262 137.0460 Imidacloprid 0.98 86418 C11110 256.0578 IMP 1.11 8582 C00130 175.0316 Indan-1-ol 9.90 22819 C01710 135.0806 Indole_1 7.75 798 C00463 118.0656 Indole_2 10.49 798 C00463 118.0655 Indole_3 8.06 798 C00463 118.0655 Indole_4 6.43 798 C00463 118.0656 Indole-3-acetaldehyde_1 7.76 800 C00637 160.0758 Indole-3-acetaldehyde_2 10.66 800 C00637 160.0758 Indole-3-acetaldehyde_3 8.96 800 C00637 160.0758 Indole-3-acetate_1 10.00 802 C00954 176.0707 Indole-3-acetate_2 8.38 802 C00954 176.0707 Indole-5,6-quinone 0.86 440728 C05579 148.0390 Indolelactate_1 9.37 92904 C02043 206.0813 Indolelactate_2 8.96 92904 C02043 206.0812 Indospicine_1 6.26 108010 C08288 174.1238 Indospicine_2 3.50 108010 C08288 174.1239 Inosine 6.25 6021 C00294 269.0880 Isobutyronitrile_1 0.92 6559 C02420 70.0660 Isobutyronitrile_2 1.74 6559 C02420 70.0660 Isobutyronitrile_3 2.48 6559 C02420 70.0660 Isoquinoline_1 7.75 8405 C06323 130.0653 Isoquinoline_2 10.69 8405 C06323 130.0653 Isoquinoline_3 10.00 8405 C06323 130.0654 Isoquinoline_4 7.31 8405 C06323 130.0654 Isoquinoline_5 8.87 8405 C06323 130.0654 Isoquinoline_6 9.32 8405 C06323 130.0653 Isoquinoline_7 8.24 8405 C06323 130.0653 Isovalerylcarnitine 8.31 6426851 C20826 246.1699 Istamycin C1 7.94 46174030 C17996 432.2805 Janthitrem C_1 13.42 156106 C20601 570.3557 Janthitrem C_2 12.91 156106 C20601 570.3558 L-2,3-Dihydrodipicolinate 6.73 5460228 C03340 170.0449 L-2,4-Diaminobutanoate 1.02 134490 C03283 119.0821 L-2-Aminoadipate_1 1.56 92136 C00956 162.0761 L-2-Aminoadipate_2 1.87 92136 C00956 162.0761 L-Alanine 1.81 5950 C00041 90.0557 L-Albizziine_1 0.77 92891 C08264 148.0730 L-Albizziine_2 7.75 92891 C08264 148.0727 L-ALLOTHREONINE 0.79 99289 142.0476 L-ARGININE 0.76 6322 175.1191 L-ASPARAGINE 0.75 6267 133.0610 L-Asparagine 2.60 6267 C00152 133.0610 L-Aspartate 0.97 5960 C00049 134.0450 L-Aspartate 4-semialdehyde_1 1.23 439235 C00441 118.0506 L-Aspartate 4-semialdehyde_2 1.82 439235 C00441 118.0503 L-Aspartate 4-semialdehyde_3 0.88 439235 C00441 118.0508 L-CARNITINE 1.02 10917 162.1125 L-Cysteate 1.31 72886 C00506 170.0125 L-CYSTEIC ACID 0.78 72886 170.0119 LEUCINE 2.71 857 132.1021 Levetiracetam_1 6.80 5284583 C07841 171.1128 Levetiracetam_2 6.39 5284583 C07841 171.1128 Levetiracetam_3 7.14 5284583 C07841 171.1128 Levetiracetam_4 3.78 5284583 C07841 171.1129 L-Glutamate 2.74 33032 C00025 148.0606 L-GLUTAMINE 0.77 5961 147.0765 L-HISTIDINE 0.76 6274 156.0769 L-Histidine 1.28 6274 C00135 156.0769 L-Histidinol_1 1.98 165271 C00860 142.0976 L-Histidinol_2 3.68 165271 C00860 142.0976 Lichenin 0.79 439241 C00478 163.0602 Linamarin_1 9.26 11128 C01594 248.1109 Linamarin_2 8.30 11128 C01594 248.1110 Linoleate_1 16.37 5280450 C01595 281.2476 Linoleate_2 13.07 5280450 C01595 281.2476 Linoleate_3 13.79 5280450 C01595 281.2476 L-ISOLEUCINE 2.35 6306 132.1022 L-Kynurenine 6.64 161166 C00328 209.0922 L-Leucine_1 1.00 6106 C00123 132.1020 L-Leucine_2 1.82 6106 C00123 132.1022 L-Lysine 1,6-lactam 1.26 440599 C02837 129.1025 L-Methionine 1.88 6137 C00073 150.0585 L-Methionine S-oxide_1 0.84 158980 C02989 166.0534 L-Methionine S-oxide_2 1.50 158980 C02989 166.0534 L-Octanoylcarnitine 10.66 11953814 C02838 288.2170 Lophocerine 9.91 442313 C09571 250.1801 Lophophorine 7.56 28654 C09573 236.1281 L-Phenylalanine 6.42 6140 C00079 166.0864 L-Pipecolate_1 2.80 439227 C00408 130.0867 L-Pipecolate_2 6.74 439227 C00408 130.0865 L-Pipecolate_3 1.02 439227 C00408 130.0866 L-Pipecolate_4 7.38 439227 C00408 130.0865 L-PIPECOLIC ACID 1.41 439227 130.0865 L-PROLINE 0.92 145742 116.0711 L-Rhamnose 0.89 25310 C00507 165.0758 L-SERINE 0.78 5951 106.0504 L-THREONINE 0.78 6288 120.0658 L-Tryptophan_1 7.75 6305 C00078 205.0974 L-Tryptophan_2 9.27 6305 C00078 205.0974 L-Tyrosine_1 3.62 6057 C00082 182.0813 L-Tyrosine_2 7.20 6057 C00082 182.0813 L-Tyrosine_3 7.64 6057 C00082 182.0813 L-Tyrosine methyl ester 7.38 70652 C03404 196.0969 Lycodine 0.90 5462443 C09876 243.1832 Maculosin 7.79 119404 C10605 261.1235 Maleamate 1.10 5280451 C01596 116.0347 Mandelonitrile_1 8.87 10758 C00561 134.0602 Mandelonitrile_2 8.29 10758 C00561 134.0602 Mannitol_1 7.20 6251 C00392 183.0846 Mannitol_2 0.79 6251 C00392 183.0866 Mannopine 11.28 121864 C16692 311.1465 MANNOSE 0.78 18950 203.0526 Meloxicam 12.33 54677470 C08169 352.0420 Metaxalone 9.30 15459 C07934 222.1119 Metformin 1.14 4091 C07151 130.1090 Methaphenilene 7.45 10306 C11113 261.1445 Methyl 2-diazoacetamidohexonate_1 7.81 439447 C01223 215.1253 Methyl 2-diazoacetamidohexonate_2 9.95 439447 C01223 215.1279 Methyl 2-diazoacetamidohexonate_3 9.22 439447 C01223 215.1279 Methyl acetyl ricinoleate 15.41 5282107 C12280 355.2847 METHYL INDOLE-3-ACETATE 10.69 74706 190.0863 Methyleugenol_1 12.74 7127 C10454 179.1067 Methyleugenol_2 13.23 7127 C10454 179.1068 Methyleugenol_3 10.60 7127 C10454 179.1067 Methyleugenol_4 9.73 7127 C10454 179.1067 Methylguanidine 0.92 10111 C02294 74.0721 Methylimidazoleacetic acid_1 1.19 75810 C05828 141.0661 Methylimidazoleacetic acid_2 6.94 75810 C05828 141.0660 Methylimidazoleacetic acid_3 1.69 75810 C05828 141.0661 Metipranolol 8.14 31477 C07915 310.2013 Monodehydroascorbate 1.31 NOT Found in Database C01041 176.0299 Montanin A 14.83 442061 C09136 313.1434 Morphine 12.67 5288826 C01516 286.1437 Murrayanine 9.79 96942 C09228 226.0872 Myxalamid A 11.42 6440913 C12158 416.3165 N-(2-Methoxyphenyl)-N'-(2-naphtyl)urea 3.88 443080 C11163 293.1273 N-(6-Aminohexanoyl)-6-aminohexanoate 8.20 5245705 C01255 245.1860 N-(Acetyloxy)benzenamine_1 6.43 153367 C02709 152.0708 N-(Acetyloxy)benzenamine_2 7.06 153367 C02709 152.0707 N(PAI)-METHYL-L-HISTIDINE 0.78 64969 170.0925 N,N'-Diacetylhydrazine 0.85 72884 C16622 117.0665 N,N-Dimethylhistidine 3.08 440274 C04259 184.1082 N1-Acetylspermidine 0.96 496 C00612 188.1758 N1-Methyl-2-pyridone-5-carboxamide 5.22 69698 C05842 153.0660 N2-Acetyl-L-aminoadipate 4.06 443992 C12986 204.0850 N5-Phenyl-L-glutamine_1 7.58 86289563 C20843 223.1078 N5-Phenyl-L-glutamine_2 6.32 86289563 C20843 223.1076 N6-(delta2-Isopentenyl)-adenine 5.31 92180 C04083 204.1231 N6-Acetyl-N6-hydroxy-L-lysine 1.33 128888 C03955 205.1183 N6-Methyl-L-lysine 0.76 164795 C02728 161.1285 N-Acetoxy-4-aminobiphenyl 12.15 189661 C03621 228.1013 N-ACETYL-D-GALACTOSAMINE 0.82 84265 244.0790 N-Acetyl-D-tryptophan 9.32 439917 C03137 247.1077 N-ACETYLGLYCINE 1.29 10972 140.0320 N-Acetylimidazole_1 0.89 17174 C02560 111.0558 N-Acetylimidazole_2 6.34 17174 C02560 111.0557 N-ACETYL-L-ALANINE 2.29 88064 154.0475 N-Acetyl-L-citrulline 4.92 656979 C15532 218.1136 N-Acetyl-L-leucine_1 8.24 70912 C02710 174.1113 N-Acetyl-L-leucine_2 8.87 70912 C02710 174.1126 N-Acetyl-L-leucine_3 1.25 70912 C02710 174.1126 N-Acetyl-L-leucine_4 2.25 70912 C02710 174.1127 N-Acetyl-L-leucine_5 3.30 70912 C02710 174.1126 N-Acetyl-L-phenylalanine 8.90 74839 C03519 208.0970 N-Acetylmethionine 1.74 448580 C02712 192.0688 N-Acetylornithine_1 1.10 439232 C00437 175.1078 N-Acetylornithine_2 1.96 439232 C00437 175.1079 N-Acetylornithine_3 6.95 439232 C00437 175.1078 N-Acetylornithine_4 2.95 439232 C00437 175.1078 N-ACETYLPUTRESCINE 1.21 122356 131.1180 N-Acetylputrescine 0.77 122356 C02714 131.1181 Nalidixic acid_1 6.89 4421 C05079 233.0922 Nalidixic acid_2 9.27 4421 C05079 233.0922 Nalidixic acid_3 4.14 4421 C05079 233.0921 Nalidixic acid_4 2.67 4421 C05079 233.0921 Nalidixic acid_5 3.30 4421 C05079 233.0921 N-Amidino-L-glutamate 1.95 135313 C03140 190.0822 N-Cyclohexylformamide_1 8.80 13017 C11519 128.1072 N-Cyclohexylformamide_2 8.38 13017 C11519 128.1072 N-Cyclohexylformamide_3 3.81 13017 C11519 128.1073 N-Cyclopropylammeline 12.08 6321196 C14148 168.0888 Nebularine 4.07 68368 C01736 253.0912 NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE 0.77 440120 189.1598 N-Ethylglycocyamine 7.75 439826 C02852 208.1161 N-Ethylmaleimide 1.21 4362 C02441 126.0551 Netilmicin 8.07 441306 C07657 476.3069 N-Formimino-L-glutamate 1.18 439233 C00439 175.0715 N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine 1.81 597195 C19872 167.0928 N-FORMYLGLYCINE 1.06 75606 104.0348 N-Formylmethionine 1.18 439750 C03145 178.0533 N-Heptanoylhomoserine lactone 7.27 443437 C11844 214.1438 N-Hydroxy-L-valine 1.59 22859863 C20313 134.0814 NICOTINAMIDE 1.73 936 123.0556 Nicotinamide 2.95 936 C00153 123.0556 NICOTINATE 1.41 938 124.0396 Nicotyrine 7.75 10249 C10161 159.0918 N-Isopropylammelide_1 8.61 441083 C06553 171.0887 N-Isopropylammelide_2 9.23 441083 C06553 171.0887 N-Isopropylammelide_3 8.23 441083 C06553 171.0888 Nitrofurazone_1 3.43 5447130 C08042 199.0463 Nitrofurazone_2 4.27 5447130 C08042 199.0463 N-Methyl-2-pyrrolidinone_1 5.17 13387 C11118 100.0763 N-Methyl-2-pyrrolidinone_2 6.90 13387 C11118 100.0763 N-Methyl-2-pyrrolidinone_3 2.22 13387 C11118 100.0763 N-Methyl-2-pyrrolidinone_4 6.43 13387 C11118 100.0762 N-Methyl-2-pyrrolidinone_5 7.34 13387 C11118 100.0764 N-METHYL-D-ASPARTIC ACID 0.82 22880 148.0605 N-Methyl-N'-nitro-N-nitrosoguanidine 3.63 9562060 C14592 148.0477 N-Methylpelletierine_1 6.64 86786 C06184 156.1385 N-Methylpelletierine_2 8.35 86786 C06184 156.1385 N-Nitrosoguvacoline_1 3.58 62103 C19482 171.0766 N-Nitrosoguvacoline_2 1.31 62103 C19482 171.0765 N-Nitrosopiperidine_1 6.66 7526 C19284 115.0870 N-Nitrosopiperidine_2 0.89 7526 C19284 115.0872 Nona-2,6-dienal 11.27 643731 C08499 139.1119 Nonane-4,6-dione 11.31 26454 C02445 157.1224 N-Phosphohypotaurocyamine 1.95 16019959 C03624 232.0129 N-Trimethyl-2-aminoethylphosphonate_1 8.34 1014 C06459 169.0860 N-Trimethyl-2-aminoethylphosphonate_2 8.94 1014 C06459 169.0860 Nuatigenin 13.26 440453 C04715 431.3158 O-Butanoylcarnitine_1 7.61 439829 C02862 232.1543 O-Butanoylcarnitine_2 6.77 439829 C02862 232.1544 Octanoic acid 11.72 379 C06423 145.1224 Octylamine 8.44 8143 C01740 130.1592 O-Decanoyl-L-carnitine 11.98 11953821 C03299 316.2481 Oleoylethanolamide 15.41 5283454 C20792 326.3055 O-Propanoylcarnitine_1 6.93 107738 C03017 218.1388 O-Propanoylcarnitine_2 3.19 107738 C03017 218.1388 O-Propanoylcarnitine_3 3.55 107738 C03017 218.1388 O-Propanoylcarnitine_4 9.20 107738 C03017 218.1387 Orcinol 7.84 10436 C00727 125.0600 Ornaline 10.00 4474580 C01683 263.1262 Otonecine_1 1.70 5281740 C10356 186.1126 Otonecine_2 3.87 5281740 C10356 186.1126 O-Ureido-L-serine 9.34 71464513 C20639 164.0652 Oxidized Latia luciferin 14.47 519382 C03527 195.1745 Pantothenate_1 8.22 6613 C00864 220.1160 Pantothenate_2 7.75 6613 C00864 220.1160 Paramethadione_1 7.37 8280 C07411 158.0813 Paramethadione_2 3.92 8280 C07411 158.0814 Paramethadione_3 6.56 8280 C07411 158.0814 Paramethadione_4 1.50 8280 C07411 158.0814 p-Benzoquinone_1 0.79 4650 C00472 109.0289 p-Benzoquinone_2 2.11 4650 C00472 109.0289 p-Benzosemiquinone 2.14 46173720 C02389 110.0354 p-Cumate 16.57 3417835 C06578 165.0912 Peganine 6.96 72610 C10733 189.1024 Penitrem D_1 13.20 76308902 C20596 568.3398 Penitrem D_2 12.46 76308902 C20596 568.3402 Pentachloroethane 0.75 6419 C19496 200.8592 Pentanamide 1.44 12298 C01842 102.0919 Phenacetin 6.52 4754 C07591 180.1020 Phendimetrazine_1 7.70 12460 C07904 192.1383 Phendimetrazine_2 11.20 12460 C07904 192.1384 Phenmetrazine 7.41 4762 C07432 178.1228 Phenyl acetate 7.80 31229 C00548 137.0598 Phenylacetylglutamine 8.07 92258 C04148 265.1183 Phenylhydrazine 2.12 7516 C02304 109.0765 Phenylpyruvate 3.62 997 C00166 165.0547 Phosphoagmatine 7.58 72734288 C02726 211.0940 Phosphodimethylethanolamine 13.15 151438 C13482 170.0560 Phthalate 13.66 181977 C01606 167.0340 Phytuberin_1 12.89 442387 C09709 295.1905 Phytuberin_2 13.27 442387 C09709 295.1905 Piperidine_1 2.71 8082 C01746 86.0971 Piperidine_2 2.35 8082 C01746 86.0971 Piperidione_1 8.34 6465 C17730 170.1176 Piperidione_2 7.13 6465 C17730 170.1176 Piperidione_3 7.79 6465 C17730 170.1177 Piperidione_4 10.08 6465 C17730 170.1177 Pirbuterol 6.47 4845 C07807 241.1545 Pirimicarb 7.18 31645 C11079 239.1488 Porphobilinogen 6.88 1021 C00931 227.1026 Precocene II 14.32 12565 C09018 221.1173 Prekinamycin 13.23 443804 C12393 319.0733 Prenol 3.81 11173 C01390 87.0812 Prenyl caffeate 10.07 5281790 C10487 249.1098 Propanoate 0.84 104745 C00163 75.0448 Propyl cinnamate 9.95 5270647 C06360 191.1069 Protoanemonin 0.79 66948 C07090 97.0290 Pseudopelletierine 7.94 11096 C10865 154.1228 Pulcherriminic acid 0.86 3083664 C20515 257.1471 p-Xylene 8.76 7809 C06756 107.0861 Pyridostigmine 2.15 4991 C07410 182.1038 Pyridoxal 10.46 1050 C00250 168.0656 Pyridoxamine_1 6.07 1052 C00534 169.0972 Pyridoxamine_2 6.49 1052 C00534 169.0972 PYRIDOXINE 3.08 1054 170.0813 QUINATE_1 0.89 6508 215.0526 QUINATE_2 0.85 6508 193.0708 Rehmaionoside C 11.56 11740990 C17452 389.2172 Retronecine 7.92 10198 C06177 156.1020 Ripazepam 12.27 33474 C19518 269.1385 Rishitin 16.45 108064 C09715 223.1694 Saccharin sodium anhydrous_1 1.30 656582 C12284 205.9873 Saccharin sodium anhydrous_2 2.33 656582 C12284 205.9872 S-Allyl-L-cysteine_1 3.09 9793905 C16759 162.0583 S-Allyl-L-cysteine_2 1.02 9793905 C16759 162.0580 S-Allyl-L-cysteine_3 3.45 9793905 C16759 162.0583 S-Allyl-L-cysteine_4 6.69 9793905 C16759 162.0584 S-Allyl-L-cysteine_5 2.48 9793905 C16759 162.0583 SARCOSINE 0.75 1088 112.0373 Sebacic acid_1 0.78 5192 C08277 203.1292 Sebacic acid_2 9.97 5192 C08277 203.1279 Sebacic acid_3 10.77 5192 C08277 203.1280 Serotonin 1.98 5202 C00780 177.1022 Shikimate 4.30 8742 C00493 175.0604 Sinapyl alcohol 10.90 5280507 C02325 211.0966 Sodium ortho-phenylphenate 8.08 23675735 C19298 193.0632 Sodium sulfate 0.89 24436 C13199 142.9387 Sphingosine_1 15.23 5280335 C00319 300.2897 Sphingosine_2 14.09 5280335 C00319 300.2898 Sphingosine 1-phosphate 12.52 5283560 C06124 380.2565 Stovaine_1 8.27 10767 C14169 236.1645 Stovaine_2 9.36 10767 C14169 236.1644 Styrene 8.70 7501 C07083 105.0704 Suberic acid_1 8.68 10457 C08278 175.0965 Suberic acid_2 6.86 10457 C08278 175.0965 Suberic acid_3 9.30 10457 C08278 175.0966 Succimer 2.14 9354 C07598 182.9771 Succinate_1 0.84 160419 C00042 119.0342 Succinate_2 1.28 160419 C00042 119.0341 Succinic anhydride 0.79 7922 C19524 101.0238 Succinimide_1 1.81 11439 C07273 100.0399 Succinimide_2 1.29 11439 C07273 100.0399 SUCROSE 0.90 5988 365.1054 Sulcatone_1 8.59 9862 C07287 127.1120 Sulcatone_2 9.13 9862 C07287 127.1120 Sulfacetamide sodium anhydrous 1.30 4022878 C08051 119.0181 Sulfamethazine 11.54 5327 C19530 279.0935 Tabtoxinine-beta-lactam_1 2.28 NOT Found in Database C20918 189.0870 Tabtoxinine-beta-lactam_2 1.42 NOT Found in Database C20918 189.0871 Tabtoxinine-beta-lactam_3 3.13 NOT Found in Database C20918 189.0870 TAURINE 0.77 1123 126.0222 Taurocyamine 6.24 68340 C01959 168.0454 Taxa-4(20),11(12)-dien-5alpha-yl acetate_1 16.27 443486 C11896 331.2633 Taxa-4(20),11(12)-dien-5alpha-yl acetate_2 16.62 443486 C11896 331.2633 Terpendole E 13.79 10094631 C20536 438.2984 Terpendole G 12.81 10411534 C20586 452.2778 TES 3.84 81831 C05353 230.0702 Thiomorpholine 3-carboxylate_1 0.81 440159 C03901 148.0425 Thiomorpholine 3-carboxylate_2 1.48 440159 C03901 148.0427 Thiomorpholine 3-carboxylate_3 3.56 440159 C03901 148.0427 Thymine 6.22 1135 C00178 127.0504 THYMINE 3.49 1135 127.0505 Tolmetin sodium 0.81 23665411 C02328 280.0920 Toluene-cis-dihydrodiol_1 7.57 1141 C04592 127.0756 Toluene-cis-dihydrodiol_2 4.16 1141 C04592 127.0756 Toluene-cis-dihydrodiol_3 6.98 1141 C04592 127.0756 Tolylacetonitrile_1 7.75 NOT Found in Database C02596 132.0809 Tolylacetonitrile_2 7.75 NOT Found in Database C02596 132.0795 Tos-Lys-CH2Cl 10.88 73094 C00896 333.1041 trans-Cinnamate_1 6.42 444539 C00423 149.0599 trans-Cinnamate_2 13.69 444539 C00423 149.0598 TRANS-CINNAMATE 9.89 444539 149.0598 Transfluthrin 1.24 656612 C13410 371.0199 Traumatic acid 10.61 5283028 C16308 229.1435 Tremetone 14.32 78673 C08992 203.1068 Trimethylamine N-oxide 0.99 1145 C01104 76.0765 Tris(butoxyethyl)phosphate 13.71 6540 C14446 399.2510 Tropinone 7.02 79038 C00783 140.1071 Trp-P-1 9.21 5284474 C19306 212.1182 Tussilagine_1 6.20 185071 C10411 200.1282 Tussilagine_2 3.62 185071 C10411 200.1283 Tussilagine_3 4.46 185071 C10411 200.1282 Tyramine_1 7.11 5610 C00483 138.0915 Tyramine_2 7.95 5610 C00483 138.0914 Uracil 3.01 1174 C00106 113.0351 URACIL 1.51 1174 113.0350 URATE 1.96 1175 169.0356 Ureidoacrylate 1.58 1751484 C20254 131.0454 Uridine_1 3.01 6029 C00299 245.0768 Uridine_2 1.58 6029 C00299 245.0768 Urocanate_1 3.17 736715 C00785 139.0504 Urocanate_2 1.72 736715 C00785 139.0505 Vanillyl alcohol 7.81 62348 C06317 155.0704 Warfarin 9.34 54678486 C01541 155.0598 WR 1065 0.97 104807 C07651 135.0958 Xanthan 13.32 7107 C01464 183.0806 Xanthine 2.64 1188 C00385 153.0409 XYLITOL 0.80 6912 175.0577 ZAPA 0.93 5282249 C13695 147.0224 Zeatin 6.75 449093 C00371 220.1172 Zingerone 13.52 31211 C17497 195.1017 METABOLITES_END #END