#METABOLOMICS WORKBENCH amitch_20151119_9585601_mwtab.txt DATATRACK_ID:425 efahy_20151224_123507 STUDY_ID:ST000286 ANALYSIS_ID:AN000454 PROJECT_ID:PR000228 VERSION 1 CREATED_ON December 24, 2015, 12:35 pm #PROJECT PR:PROJECT_TITLE Identification of novel myokines PR:PROJECT_TYPE MS study PR:PROJECT_SUMMARY Skeletal myotubes release certain factors called myokines following exercise PR:PROJECT_SUMMARY that signal to other tissues including adipose, liver or the heart. These PR:PROJECT_SUMMARY myokines may promote the health benefits of exercise. PR:INSTITUTE Sanford-Burnham Medical Research Institute PR:DEPARTMENT Cardiovascular Pathobiology PR:LAST_NAME Vega PR:FIRST_NAME Rick PR:ADDRESS -- PR:EMAIL rvega@sanfordburnham.org PR:PHONE -- #STUDY ST:STUDY_TITLE Mouse skeletal myotube chronic low-frequency stimulation ST:STUDY_TYPE Electrical stimulation ST:STUDY_SUMMARY Cell culture media is collected from mouse myotubes subject to electrical ST:STUDY_SUMMARY stimulation and control cells with no stimulation. ST:INSTITUTE SECIM ST:LAST_NAME Vega ST:FIRST_NAME Rick ST:ADDRESS -- ST:EMAIL rvega@sanfordburnham.org ST:PHONE -- ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 20 #SUBJECT SU:SUBJECT_TYPE Cells SU:SUBJECT_SPECIES Mus musculus SU:GENOTYPE_STRAIN C57/Bl6 SU:SUBJECT_COMMENTS Primary mouse myocytes were used for this study. The cells were obtained from SU:SUBJECT_COMMENTS gastrocnemius muscle of male 8 weeks-old C57BL/6J mice. #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 1 Treatment:Control SUBJECT_SAMPLE_FACTORS - 1_2 Treatment:Control SUBJECT_SAMPLE_FACTORS - 2 Treatment:Control SUBJECT_SAMPLE_FACTORS - 2_2 Treatment:Control SUBJECT_SAMPLE_FACTORS - 3 Treatment:Control SUBJECT_SAMPLE_FACTORS - 3_2 Treatment:Control SUBJECT_SAMPLE_FACTORS - 4 Treatment:Control SUBJECT_SAMPLE_FACTORS - 4_2 Treatment:Control SUBJECT_SAMPLE_FACTORS - 5 Treatment:Control SUBJECT_SAMPLE_FACTORS - 5_2 Treatment:Control SUBJECT_SAMPLE_FACTORS - 6 Treatment:Control SUBJECT_SAMPLE_FACTORS - 6_2 Treatment:Control SUBJECT_SAMPLE_FACTORS - 7 Treatment:Control SUBJECT_SAMPLE_FACTORS - 7_2 Treatment:Control SUBJECT_SAMPLE_FACTORS - 8 Treatment:Control SUBJECT_SAMPLE_FACTORS - 8_2 Treatment:Control SUBJECT_SAMPLE_FACTORS - 9 Treatment:Control SUBJECT_SAMPLE_FACTORS - 9_2 Treatment:Control SUBJECT_SAMPLE_FACTORS - 10 Treatment:Control SUBJECT_SAMPLE_FACTORS - 10_2 Treatment:Control SUBJECT_SAMPLE_FACTORS - 11 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 11_2 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 12 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 12_2 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 13 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 13_2 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 14 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 14_2 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 15 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 15_2 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 16 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 16_2 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 17 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 17_2 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 18 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 18_2 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 19 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 19_2 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 20 Treatment:CLFS SUBJECT_SAMPLE_FACTORS - 20_2 Treatment:CLFS #COLLECTION CO:COLLECTION_SUMMARY Conditioned media was collected from the cell culture dish, and centrifuged at CO:COLLECTION_SUMMARY 3000xg, 4¡C for 10 min to remove cell debris. The supernatant was transferred CO:COLLECTION_SUMMARY into new tube and stored at -80¡C. For the metabolomics analysis, 500 uL of CO:COLLECTION_SUMMARY samples was put into 1.5 mL tube. CO:SAMPLE_TYPE Cells #TREATMENT TR:TREATMENT_SUMMARY Primary mouse myocytes were differentiated into myotubes for 3 days, and TR:TREATMENT_SUMMARY electrically stimulated at 2.5V, 1.0 Hz by C-PAGE EP (Ionoptix). Conditioned TR:TREATMENT_SUMMARY media was collected every 24 hr of stimulation. Conditioned media from the cells TR:TREATMENT_SUMMARY without electrical stimulation was also collected as a negative control. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY see Sample Preparation of Cell Lysates.pdf SP:SAMPLEPREP_PROTOCOL_FILENAME Sample Preparation of Cell Lysates.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:CHROMATOGRAPHY_COMMENTS UHPLC, Thermo Scientific-Dionex Ultimate 3000: While setting up sequence, ensure CH:CHROMATOGRAPHY_COMMENTS that method to be utilized is PFP-metabolomics-neg350-NoBuffer-0-SID and CH:CHROMATOGRAPHY_COMMENTS PFP-metabolomics-neg-350-dd-MS2 for negative sequences. For positive sequences CH:CHROMATOGRAPHY_COMMENTS utilize PFP-metabolomics-pos-350-0-SID and PFP-metabolomics-pos-350-dd-MS2. CH:CHROMATOGRAPHY_COMMENTS Check the lines for air bubbles and purge line if present. Set injection volume CH:CHROMATOGRAPHY_COMMENTS to 2uL for positive samples and 4uL for negative samples. #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE Metabolomics_LCMSProtocol.pdf #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 height MS_METABOLITE_DATA_START Samples 5 5_2 20 20_2 4 4_2 10 10_2 9 9_2 13 13_2 8 8_2 19 19_2 6 6_2 7 7_2 18 18_2 12 12_2 17 17_2 14 14_2 1 1_2 2 2_2 16 16_2 11 11_2 3 3_2 15 15_2 Factors Treatment:Control Treatment:Control Treatment:CLFS Treatment:CLFS Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:CLFS Treatment:CLFS Treatment:Control Treatment:Control Treatment:CLFS Treatment:CLFS Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:CLFS Treatment:CLFS Treatment:CLFS Treatment:CLFS Treatment:CLFS Treatment:CLFS Treatment:CLFS Treatment:CLFS Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:CLFS Treatment:CLFS Treatment:CLFS Treatment:CLFS Treatment:Control Treatment:Control Treatment:CLFS Treatment:CLFS (-)-Jasmonic acid 1.7E+04 8.85E+03 1.74E+04 3.78E+03 1.8E+04 1.05E+04 1.94E+04 1.5E+04 1.49E+04 4.13E+03 1.85E+04 1.52E+04 1.89E+04 1.14E+04 1.74E+04 5.94E+03 1.96E+04 2.24E+04 2.55E+04 1.22E+04 1.81E+04 1.41E+04 1.98E+04 1.53E+04 1.61E+04 3.57E+03 2.04E+04 1.48E+04 1.73E+04 1.29E+04 1.79E+04 1.18E+04 2.11E+04 3.64E+03 1.54E+04 8.55E+03 1.56E+04 5.39E+03 1.97E+04 1.75E+04 (-)-Menthyl acetate 6.14E+05 8.7E+06 6.06E+05 8.35E+06 5.79E+05 8.12E+06 6.1E+05 8.34E+06 6.27E+05 8.1E+06 6.57E+05 8.18E+06 6.25E+05 8.86E+06 6.46E+05 8.73E+06 6.59E+05 8.47E+06 5.94E+05 8.68E+06 6.25E+05 9.2E+06 6.09E+05 8.16E+06 6.75E+05 9.02E+06 6.02E+05 8.68E+06 6.92E+05 9E+06 6.32E+05 9.05E+06 6.23E+05 7.67E+06 6.14E+05 8.28E+06 6.05E+05 8.28E+06 5.7E+05 8.26E+06 (+)-Bornane-2,5-dione 1.87E+05 4.35E+05 1.89E+05 4.38E+05 1.69E+05 4.78E+05 1.48E+05 4.27E+05 1.92E+05 4.25E+05 1.59E+05 3.77E+05 1.99E+05 4.4E+05 1.73E+05 4.91E+05 1.56E+05 4.45E+05 1.7E+05 4.26E+05 1.75E+05 4.75E+05 1.83E+05 4.13E+05 1.84E+05 4.53E+05 1.59E+05 4.06E+05 1.66E+05 4.46E+05 1.72E+05 4.68E+05 1.44E+05 4.04E+05 1.51E+05 3.83E+05 1.53E+05 2.61E+05 1.81E+05 3.99E+05 (+)-Camphor 3.99E+04 4.8E+04 2.72E+04 7.18E+04 2.71E+04 6.73E+04 3.15E+04 6.09E+04 3.46E+04 4.33E+04 2.55E+04 7.15E+04 2.81E+04 4.18E+04 2.95E+04 3.72E+04 3.37E+04 8.82E+03 3.46E+04 5.31E+04 3.48E+04 5.35E+04 2.36E+04 1.36E+04 3.3E+04 7.56E+04 3.21E+04 7.15E+04 2.92E+04 4.28E+04 2.62E+04 1.33E+04 2.66E+04 6.9E+04 2.55E+04 5.72E+04 2.95E+04 4.14E+04 3.35E+04 7.7E+04 (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol 9.73E+05 2.71E+06 9.79E+05 2.63E+06 1.04E+06 2.78E+06 9.52E+05 2.78E+06 9.27E+05 2.51E+06 1.02E+06 2.69E+06 1.02E+06 2.76E+06 9.79E+05 2.71E+06 9.33E+05 2.64E+06 9.89E+05 2.68E+06 1.03E+06 2.85E+06 1.05E+06 2.85E+06 1E+06 2.76E+06 9.82E+05 2.77E+06 9.42E+05 2.65E+06 9.72E+05 2.45E+06 9.69E+05 2.79E+06 1.09E+06 2.8E+06 1.01E+06 2.68E+06 1.02E+06 2.73E+06 (3-Arylcarbonyl)-alanine 1.22E+06 2.75E+06 6.49E+05 1.4E+06 1.15E+06 2.66E+06 6.15E+05 1.29E+06 1.13E+06 2.55E+06 8.82E+05 1.79E+06 1.46E+06 3.25E+06 1.01E+06 2.16E+06 1.25E+06 2.74E+06 1.6E+06 3.21E+06 1.26E+06 2.76E+06 7.25E+05 1.43E+06 1.38E+06 2.98E+06 1.04E+06 2.27E+06 2.8E+05 5.91E+05 5.79E+05 1.28E+06 1.16E+06 2.49E+06 2.58E+05 5.83E+05 7.15E+05 1.62E+06 1.2E+06 2.51E+06 (3S,5S)-Carbapenam-3-carboxylic acid 1.93E+04 3.47E+04 4.13E+04 3.65E+04 1.46E+04 1.35E+04 3.65E+04 7.66E+04 3.77E+04 3.13E+04 4.73E+04 1.76E+04 6.84E+04 4.87E+04 4.95E+04 1.23E+05 4.3E+04 8.6E+04 4.64E+04 1.07E+05 4.49E+04 1.08E+05 5.55E+04 3.9E+04 5.29E+04 7.66E+04 2.33E+04 4.95E+04 3.9E+04 8.42E+04 4.41E+04 1.04E+05 6.11E+04 1.43E+05 7.3E+04 3.07E+04 8.25E+04 1.69E+05 1.71E+04 1.92E+04 (9Z)-Octadecenoic acid 5.65E+04 1.43E+05 5.08E+04 1.49E+05 5.22E+04 6.32E+04 4.84E+04 1.44E+05 5.07E+04 1.4E+05 5.37E+04 1.74E+05 5.41E+04 1.01E+05 5.68E+04 1.83E+05 5.03E+04 1.47E+05 4.82E+04 1.24E+05 5.6E+04 1.47E+05 4.75E+04 1.51E+05 5.22E+04 1.34E+05 4.53E+04 1.55E+05 4.53E+04 1.26E+05 4.85E+04 1.47E+05 4.84E+04 1.51E+05 5.77E+04 1.86E+05 5E+04 1.65E+05 5.29E+04 1.53E+05 (9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid 3.69E+05 1.8E+06 3.83E+05 1.43E+06 3.53E+05 1.59E+06 3.45E+05 1.66E+06 3.73E+05 1.4E+06 3.68E+05 1.53E+06 3.26E+05 1.41E+06 3.74E+05 1.56E+06 3.5E+05 1.27E+06 4.01E+05 1.34E+06 3.28E+05 1.22E+06 3.42E+05 1.8E+06 3.91E+05 2.04E+06 3.19E+05 1.53E+06 3.43E+05 1.63E+06 3.91E+05 1.31E+06 3.41E+05 1.61E+06 3.25E+05 1.32E+06 3.61E+05 1.36E+06 3.53E+05 1.25E+06 (9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid 8.46E+05 1.91E+07 8.44E+05 1.91E+07 9.14E+05 1.91E+07 8.84E+05 1.91E+07 8.97E+05 1.89E+07 9.09E+05 1.91E+07 8.64E+05 1.87E+07 8.25E+05 1.83E+07 8.24E+05 1.87E+07 8.44E+05 1.84E+07 8.59E+05 1.84E+07 8.45E+05 1.84E+07 8.36E+05 1.82E+07 7.68E+05 1.8E+07 8.36E+05 1.79E+07 8.01E+05 1.78E+07 8.46E+05 1.93E+07 9.01E+05 1.94E+07 9.41E+05 1.94E+07 8.74E+05 1.92E+07 (E)-4-(Trimethylammonio)but-2-enoate 1.95E+06 1.28E+07 1.7E+06 1.18E+07 2.23E+06 1.51E+07 1.67E+06 1.11E+07 1.66E+06 1.33E+07 1.78E+06 1.17E+07 1.64E+06 1.39E+07 1.4E+06 1.22E+07 2.22E+06 1.38E+07 1.76E+06 1.26E+07 1.55E+06 1.23E+07 1.89E+06 1.33E+07 1.71E+06 1.23E+07 1.99E+06 1.47E+07 1.59E+06 1.14E+07 1.85E+06 1.21E+07 2.18E+06 1.25E+07 1.46E+06 1.15E+07 1.51E+06 1.1E+07 2.09E+06 1.26E+07 (R)-Mevalonate 6.54E+05 2.24E+07 9.69E+05 2.13E+07 6.28E+05 2.35E+07 7.89E+05 1.89E+07 9.8E+05 2.51E+07 1.05E+06 2.05E+07 9.28E+05 2.37E+07 8.2E+05 2.26E+07 6.99E+05 1.93E+06 9.31E+05 2.21E+07 7.68E+05 3.1E+07 9.82E+05 2.34E+07 1.05E+06 4.24E+07 7.57E+05 1.87E+06 1.09E+06 2.95E+07 8.64E+05 2.32E+07 6.9E+05 1.9E+06 1.04E+06 2E+07 9.96E+05 2.15E+07 6.15E+05 1.91E+07 (R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol 1.32E+05 4.86E+05 1.2E+05 3.8E+05 1.19E+05 4.41E+05 1.02E+05 4.26E+05 1.14E+05 5.37E+05 1.12E+05 4.63E+05 1.28E+05 4.34E+05 1.12E+05 4.41E+05 1.07E+05 3.3E+05 1.49E+05 4.2E+05 1.13E+05 4.64E+05 1.17E+05 3.22E+05 1.22E+05 4.5E+05 1.14E+05 3.35E+05 1.32E+05 5.56E+05 1.47E+05 3.65E+05 1.05E+05 3.85E+05 1.02E+05 4.49E+05 9.85E+04 3.88E+05 1.02E+05 3.97E+05 (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate 2.38E+06 4.97E+07 4.6E+06 5.79E+07 1.84E+06 4.96E+07 4.43E+06 5.61E+07 4.96E+06 5.98E+07 3.94E+06 5.66E+07 4.34E+06 5.52E+07 3.4E+06 4.73E+07 3.49E+06 4.77E+07 4.31E+06 5.53E+07 3.42E+06 5.04E+07 3.9E+06 4.94E+07 3.45E+06 5.1E+07 2.23E+06 4.33E+07 3.98E+06 5.09E+07 4.27E+06 5.22E+07 3.35E+06 4.53E+07 3.72E+06 5.19E+07 3.53E+06 5.19E+07 2.41E+06 4.77E+07 1,2,3-Trihydroxybenzene_1 7.18E+05 1.28E+07 2.94E+06 2.08E+07 1.91E+06 1.76E+07 3.21E+06 2.11E+07 3.37E+06 2.38E+07 3.66E+06 2.63E+07 3.46E+06 2.42E+07 2.64E+06 2.21E+07 3.64E+06 2.19E+07 3.9E+06 2.44E+07 3.31E+06 2.3E+07 3.26E+06 2.31E+07 4.34E+06 2.48E+07 1.6E+06 1.9E+07 2.8E+06 2.21E+07 3.19E+06 2.12E+07 3.68E+06 2.63E+07 3.59E+06 2.21E+07 3.67E+06 2.44E+07 5.94E+05 1.35E+07 1,2,3-Trihydroxybenzene_2 5.92E+04 1.25E+05 4.97E+04 1.18E+05 5.36E+04 1.26E+05 5.32E+04 1.42E+05 4.85E+04 1.5E+05 4.74E+04 1.29E+05 5.14E+04 1.05E+05 3.85E+04 1.08E+05 4.2E+04 1.82E+05 4.21E+04 1.71E+05 4.23E+04 1.12E+05 4.74E+04 1.2E+05 4.58E+04 2.8E+04 4.91E+04 1.34E+05 4.36E+04 1.09E+05 5.17E+04 1.25E+05 4.69E+04 1.19E+05 3.84E+04 1.04E+05 4.22E+04 1.11E+05 6.28E+04 1.26E+05 1,2,6-Hexanetriol_1 7.9E+05 1.96E+07 6.6E+05 1.83E+07 5.78E+05 1.8E+07 7.66E+05 1.8E+07 8.41E+05 1.85E+07 8.92E+05 1.83E+07 7.8E+05 1.93E+07 9.7E+05 1.95E+07 8.45E+05 1.9E+07 6.93E+05 1.87E+07 9.24E+05 1.94E+07 9.06E+05 2.03E+07 8.82E+05 1.95E+07 7.92E+05 1.91E+07 9.12E+05 1.94E+07 1.03E+06 1.98E+07 9.91E+05 1.74E+07 7.83E+05 1.77E+07 6.93E+05 1.8E+07 8.03E+05 1.83E+07 1,2,6-Hexanetriol_2 1.05E+04 3.47E+03 7.37E+03 4.54E+03 7.11E+03 2.43E+03 1.3E+04 4.15E+03 7.66E+03 2.65E+03 1.06E+04 3.56E+03 9.59E+03 3.25E+03 1.63E+04 5.33E+03 7.5E+03 2.57E+03 6.23E+03 2.11E+03 5.94E+03 2.04E+03 7.47E+03 4.75E+03 7.38E+03 2.55E+03 6.62E+03 3.62E+03 6.76E+03 4.06E+03 1.12E+04 3.98E+03 6.45E+03 1.13E+03 9.84E+03 3.56E+03 6.97E+03 2.43E+03 7.74E+03 2.65E+03 1,3,8-Naphthalenertriol 6.21E+05 1.8E+06 5.09E+05 1.62E+06 5.18E+05 1.62E+06 5.22E+05 1.61E+06 5.67E+05 1.76E+06 5.55E+05 1.82E+06 7.14E+05 2.12E+06 7.51E+05 2.31E+06 6.96E+05 2.04E+06 6.71E+05 2.16E+06 6.67E+05 2.03E+06 6.76E+05 2.08E+06 8.23E+05 2.58E+06 7.96E+05 2.43E+06 8.72E+05 2.67E+06 9.08E+05 2.74E+06 5.05E+05 1.59E+06 4.97E+05 1.6E+06 5.57E+05 1.71E+06 5.5E+05 1.77E+06 10-Hydroxycarbazepine 4.48E+03 1.55E+03 0 0 0 0 0 0 0 0 1.56E+05 3.65E+05 5.37E+03 1.85E+03 0 0 0 0 0 0 0 0 1.68E+06 4.27E+06 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11-Aminoundecanoic acid 1.09E+05 2.62E+05 9.88E+04 2.85E+05 1.13E+05 2.95E+05 1.19E+05 3E+05 1.39E+05 3.74E+05 9.41E+04 2.58E+05 1.27E+05 3.19E+05 1.12E+05 3.11E+05 9.15E+04 2.45E+05 1.34E+05 3.72E+05 9.35E+04 2.72E+05 1.16E+05 2.99E+05 1.36E+05 3.65E+05 8.82E+04 1.07E+05 7.58E+04 2.45E+05 1.08E+05 2.58E+05 8.21E+04 2.4E+05 7.81E+04 2.22E+05 6.8E+04 1.98E+05 1.08E+05 3.2E+05 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide 5.15E+05 2.28E+07 5.13E+05 2.24E+07 5.09E+05 2.37E+07 4.63E+05 4.86E+05 4.77E+05 7.99E+05 3.94E+05 5.6E+05 4.11E+05 1.63E+06 4.55E+05 3.54E+05 4.61E+05 5.64E+05 4.45E+05 5.19E+05 4.91E+05 2.36E+05 4.3E+05 1.69E+06 3.94E+05 4.47E+05 4.23E+05 2.54E+05 4.09E+05 4.41E+05 3.95E+05 1.36E+05 4.66E+05 5.49E+05 4.23E+05 2.01E+05 4.26E+05 1.6E+06 4.53E+05 9.06E+05 11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione 7.31E+05 5.3E+07 6.94E+05 5.18E+07 6.98E+05 5.15E+07 7.33E+05 5.06E+07 7.4E+05 5.25E+07 7.04E+05 5.13E+07 7.5E+05 5.61E+07 7.74E+05 5.87E+07 7.82E+05 5.57E+07 7.42E+05 5.71E+07 7.24E+05 5.71E+07 6.93E+05 5.46E+07 7.63E+05 5.9E+07 8.05E+05 5.87E+07 8.5E+05 5.98E+07 8.14E+05 6E+07 6.6E+05 4.85E+07 7.12E+05 4.89E+07 6.8E+05 4.97E+07 6.61E+05 5E+07 13(S)-HPOT 8.28E+04 2.7E+05 8.29E+04 2.43E+05 8.33E+04 6.35E+05 8.03E+04 5.1E+05 8.8E+04 3.83E+05 8.52E+04 3.61E+05 9.3E+04 5.11E+05 8.47E+04 4.81E+05 9.65E+04 1.03E+06 1.03E+05 7.79E+05 8.47E+04 2.62E+05 8.94E+04 5.67E+05 9.25E+04 3.74E+05 8.05E+04 6.91E+05 8.9E+04 5.11E+05 8.03E+04 2.21E+05 7.65E+04 4.92E+05 7.77E+04 4.13E+05 8.06E+04 7.58E+05 8.54E+04 2.26E+05 14-Dihydroxycornestin 5.26E+05 1.48E+06 5.57E+05 1.57E+06 5.61E+05 1.62E+06 4.82E+05 1.35E+06 4.73E+05 1.37E+06 4.5E+05 1.18E+06 5.25E+05 1.51E+06 8E+05 2.38E+06 7.33E+05 2.03E+06 7.49E+05 2.12E+06 9.12E+05 2.63E+06 6.11E+05 1.61E+06 1.15E+06 3.3E+06 5.3E+05 1.89E+07 7.78E+05 2.24E+06 7.72E+05 2.19E+06 9.95E+05 1.39E+07 5.02E+05 1.41E+06 5.87E+05 1.52E+06 3.15E+05 9.24E+05 16-Feruloyloxypalmitate 1.49E+06 1.12E+08 1.51E+06 1.08E+08 1.43E+06 1.06E+08 1.39E+06 1.01E+08 1.54E+06 1.12E+08 1.47E+06 1.04E+08 1.63E+06 1.27E+08 1.72E+06 1.34E+08 1.69E+06 1.24E+08 1.64E+06 1.31E+08 1.74E+06 1.29E+08 1.49E+06 1.21E+08 1.64E+06 1.37E+08 1.64E+06 1.36E+08 1.78E+06 1.41E+08 1.74E+06 1.39E+08 1.37E+06 9.16E+07 1.32E+06 9.38E+07 1.45E+06 9.7E+07 1.35E+06 9.87E+07 17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one 1.02E+06 1.86E+07 9.81E+05 1.84E+07 1.05E+06 1.84E+07 9.02E+05 1.94E+07 9.73E+05 2E+07 1.01E+06 1.85E+07 1.05E+06 2.11E+07 1.06E+06 2.14E+07 1.05E+06 1.98E+07 1.12E+06 2.13E+07 9.76E+05 2.11E+07 1.02E+06 2.05E+07 1.05E+06 2.18E+07 1.05E+06 2.17E+07 1.02E+06 2.18E+07 1.04E+06 2.17E+07 9.86E+05 1.76E+07 9.56E+05 1.74E+07 1.09E+06 1.79E+07 1.02E+06 1.79E+07 1'-Acetoxyeugenol acetate 1.67E+05 4.65E+05 1.55E+05 4.39E+05 1.8E+05 4.7E+05 1.72E+05 4.93E+05 1.7E+05 4.45E+05 1.47E+05 4.33E+05 1.98E+05 5.37E+05 2.12E+05 5.99E+05 1.91E+05 5.87E+05 2E+05 5.78E+05 1.89E+05 5.78E+05 1.79E+05 5.18E+05 2.22E+05 6.01E+05 1.94E+05 5.87E+05 2.33E+05 6.59E+05 2.39E+05 6.88E+05 1.64E+05 5.17E+05 1.63E+05 4.29E+05 1.48E+05 4.85E+05 1.45E+05 4.28E+05 1H-Imidazole-4-methanol_1 9.86E+05 4.89E+08 9.82E+05 1.97E+08 9.75E+05 4.89E+08 9.61E+05 1.94E+08 9.85E+05 4.9E+08 9.8E+05 1.97E+08 9.68E+05 4.91E+08 9.9E+05 4.9E+08 9.74E+05 1.98E+08 9.99E+05 4.92E+08 9.85E+05 4.94E+08 9.85E+05 1.99E+08 9.64E+05 4.92E+08 9.7E+05 2E+08 9.82E+05 4.94E+08 9.74E+05 2.02E+08 9.98E+05 1.94E+08 9.93E+05 1.95E+08 9.75E+05 1.96E+08 9.75E+05 1.95E+08 1H-Imidazole-4-methanol_2 9.64E+05 1.52E+08 9.68E+05 1.52E+08 9.69E+05 1.53E+08 9.61E+05 1.5E+08 9.72E+05 1.54E+08 9.8E+05 1.52E+08 9.66E+05 1.54E+08 9.72E+05 1.54E+08 9.74E+05 1.53E+08 9.7E+05 1.54E+08 9.83E+05 1.54E+08 9.85E+05 1.54E+08 9.57E+05 1.55E+08 9.7E+05 1.54E+08 9.65E+05 1.58E+08 9.6E+05 1.57E+08 9.98E+05 1.48E+08 9.7E+05 1.49E+08 9.75E+05 1.51E+08 9.51E+05 1.5E+08 1-Octanal 5.13E+05 5.81E+06 4.85E+05 1.36E+06 4.62E+05 1.22E+06 4.71E+05 1.32E+06 4.56E+05 1.28E+06 5E+05 5.67E+06 4.91E+05 1.34E+06 5.26E+05 5.11E+06 5.18E+05 5.64E+06 5.17E+05 5.24E+06 5.06E+05 6.16E+06 5.1E+05 5.01E+06 5.23E+05 5.09E+06 5.13E+05 5.35E+06 5.03E+05 5E+06 5.11E+05 5E+06 4.48E+05 1.29E+06 4.78E+05 1.35E+06 4.59E+05 1.27E+06 4.62E+05 1.28E+06 1-Palmitoylglycerophosphocholine 3.68E+04 1.06E+05 1.61E+04 3.38E+04 2.48E+04 5.12E+04 2.1E+04 1.75E+04 5.41E+03 1.91E+03 1.07E+04 8.4E+03 1.22E+04 1.41E+04 9.87E+03 3.55E+03 1.7E+04 7.86E+03 3.58E+03 662 7.93E+03 1.04E+04 1.73E+04 2.09E+04 1.01E+04 2.44E+03 0 0 8.82E+03 3.25E+03 1.18E+04 6.71E+03 1.24E+04 2.15E+04 1.58E+04 1.8E+04 2.56E+04 5.79E+04 1.15E+04 1.98E+04 1-Phenylethylamine 6.89E+04 3.06E+05 7.4E+04 2.3E+05 7.19E+04 4.79E+05 7.27E+04 3.33E+05 7.86E+04 3.82E+05 8.21E+04 2.37E+05 8.26E+04 1.55E+05 8.82E+04 2.92E+05 8.64E+04 3.72E+05 7.76E+04 5.33E+05 7.8E+04 3.84E+05 7.8E+04 4.94E+05 9.65E+04 6.27E+05 7.97E+04 5.17E+05 8.41E+04 3.28E+05 1.23E+05 8.26E+05 8.57E+04 4.69E+05 7.9E+04 1.13E+05 5.98E+04 1.17E+05 7.06E+04 2.3E+05 2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate 1.74E+05 5.16E+05 1.74E+05 4.74E+05 1.89E+05 5.01E+05 1.64E+05 4.55E+05 1.71E+05 5.13E+05 1.51E+05 4.35E+05 1.72E+05 5.17E+05 1.85E+05 5.01E+05 1.76E+05 5.48E+05 1.72E+05 4.65E+05 1.74E+05 5.5E+05 1.65E+05 5.07E+05 1.72E+05 7.47E+05 1.83E+05 5.23E+05 1.82E+05 5.52E+05 1.67E+05 5.03E+05 1.66E+05 4.43E+05 1.59E+05 4.7E+05 1.51E+05 4.56E+05 1.4E+05 6.11E+05 2,2-Dichloro-1,1-ethanediol_1 1.78E+06 3.27E+08 1.72E+06 3.29E+08 1.73E+06 2.62E+08 1.69E+06 2.91E+08 1.73E+06 6.66E+07 1.71E+06 1.72E+08 1.85E+06 6.01E+08 1.84E+06 3.37E+08 1.82E+06 2.46E+08 1.79E+06 3.01E+08 1.85E+06 2.79E+08 1.79E+06 3.45E+08 1.85E+06 3.38E+08 1.89E+06 3.36E+08 1.82E+06 2.3E+08 1.76E+06 3.09E+08 1.61E+06 2.96E+08 1.64E+06 2.13E+08 1.68E+06 3.13E+08 1.71E+06 1.99E+08 2,2-Dichloro-1,1-ethanediol_2 1.77E+06 1.82E+08 1.72E+06 1.88E+08 1.73E+06 5.8E+08 1.68E+06 1.54E+08 1.83E+06 5.9E+08 1.71E+06 1.98E+08 1.82E+06 1.84E+08 1.82E+06 1.88E+08 1.8E+06 9.62E+07 1.79E+06 6E+08 1.85E+06 6.13E+08 1.79E+06 6.02E+08 1.85E+06 6.08E+08 1.89E+06 6E+08 1.8E+06 8.26E+07 1.75E+06 1.66E+08 1.61E+06 1.69E+08 1.62E+06 8.19E+07 1.66E+06 1.77E+08 1.71E+06 5.59E+08 2,2-Dichloro-1,1-ethanediol_3 1.64E+06 1.35E+06 1.5E+06 1.68E+06 1.54E+06 3.22E+06 1.69E+06 5.62E+08 1.6E+06 2.35E+06 1.74E+06 5.77E+08 1.05E+06 3.46E+07 1.64E+06 2.45E+06 1.04E+06 3.4E+07 1.6E+06 3.6E+07 1.11E+06 3.42E+07 1.59E+06 3.66E+07 1.06E+06 3.43E+07 1.03E+06 7.56E+06 1.07E+06 3.44E+07 1.6E+06 3.64E+07 1.75E+06 5.24E+08 1.01E+06 2.49E+07 1.53E+06 1.67E+06 1.54E+06 4.83E+06 2,2-Dichloro-1,1-ethanediol_4 1.22E+06 2.91E+07 1.15E+06 3.72E+07 1.13E+06 2.73E+07 1.6E+06 1.99E+08 1.51E+06 7.61E+07 1.14E+06 2.75E+07 1.58E+06 1.13E+08 1.22E+06 2.36E+07 1.27E+06 2.96E+07 1.63E+06 1.13E+08 1.18E+06 2.3E+07 1.24E+06 2.86E+07 1.85E+06 5.19E+08 1.34E+06 3.01E+07 1.5E+06 7.78E+07 1.48E+06 7.68E+07 1.17E+06 2.82E+07 1.12E+06 1.81E+07 1.2E+06 2.75E+07 1.13E+06 2.69E+07 2,3-Dihydroxybenzoate 3.12E+03 1.13E+03 4.4E+03 1.62E+03 0 0 3.08E+03 1.13E+03 4.18E+03 1.53E+03 3.27E+03 1.2E+03 3.82E+03 1.37E+03 3.44E+03 1.24E+03 4.15E+03 1.52E+03 3.42E+03 1.25E+03 4.35E+03 1.59E+03 3.39E+03 1.25E+03 0 0 0 0 2.95E+03 1.07E+03 0 0 3.74E+03 1.37E+03 6.51E+03 2.3E+03 3.85E+03 1.42E+03 4.02E+03 1.48E+03 2,3-Dimethylmaleate 5.14E+05 1.42E+06 2.52E+06 8.07E+06 1.54E+06 4.6E+06 2.7E+06 8.6E+06 2.92E+06 9.72E+06 3.03E+06 1.04E+07 3.13E+06 1.05E+07 2.31E+06 7.46E+06 3.28E+06 9.85E+06 3.33E+06 1.11E+07 2.7E+06 8.85E+06 2.74E+06 9.22E+06 3.57E+06 1.05E+07 1.36E+06 3.96E+06 2.53E+06 7.78E+06 2.7E+06 8.62E+06 3.28E+06 1.17E+07 3.13E+06 1.01E+07 3.3E+06 1.06E+07 4.46E+05 1.46E+06 2,5-Dichloro-4-oxohex-2-enedioate 1.01E+08 5.11E+08 1.01E+08 5E+08 1.01E+08 5.04E+08 1.01E+08 4.84E+08 9.95E+07 5.06E+08 1.02E+08 4.89E+08 1.06E+08 5.37E+08 1.03E+08 5.47E+08 1.04E+08 5.3E+08 1E+08 5.36E+08 1E+08 5.33E+08 1.07E+08 5.21E+08 1.02E+08 5.54E+08 1.06E+08 5.59E+08 9.58E+07 5.58E+08 1.07E+08 5.64E+08 1.02E+08 4.69E+08 1.02E+08 4.68E+08 9.69E+07 4.68E+08 1.01E+08 4.88E+08 2,6-Diamino-7-hydroxy-azelaic acid 8.3E+04 2.35E+05 9.31E+04 2.76E+05 7.87E+04 2.47E+05 7.85E+04 2.71E+05 8.52E+04 2.69E+05 8.14E+04 2.27E+05 9.05E+04 2.73E+05 8.4E+04 2.66E+05 8.7E+04 2.91E+05 1.01E+05 2.83E+05 8.73E+04 2.75E+05 9.1E+04 2.77E+05 9.13E+04 2.62E+05 9.28E+04 2.2E+05 9.91E+04 1.44E+05 8.76E+04 2.75E+05 7.69E+04 2.35E+05 7.37E+04 2.3E+05 9.23E+04 2.15E+05 6.34E+04 2.27E+05 2-Aceto-2-hydroxybutanoate 1.03E+05 1.95E+05 1.27E+05 2.15E+05 1.15E+05 2.17E+05 1.08E+05 1.89E+05 1.13E+05 1.8E+05 9.66E+04 1.92E+05 1.11E+05 1.97E+05 8.49E+04 1.57E+05 1.11E+05 1.99E+05 1.18E+05 2.21E+05 9.3E+04 1.71E+05 1.1E+05 2.1E+05 1.01E+05 1.72E+05 9.23E+04 1.74E+05 9.07E+04 1.78E+05 9.67E+04 1.64E+05 1.06E+05 2.17E+05 9.17E+04 1.78E+05 9.67E+04 1.72E+05 1E+05 1.61E+05 2-Aminoadenosine 4.29E+03 1.51E+03 5.92E+03 3.88E+03 3.52E+03 1.25E+03 1.28E+04 1.14E+04 6.15E+03 6.69E+03 4.24E+03 1.51E+03 4.04E+03 1.42E+03 6.41E+03 2.29E+03 3.91E+03 1.39E+03 5.9E+03 2.09E+03 4.44E+03 1.57E+03 7.44E+03 4.8E+03 5.64E+03 2.03E+03 5.35E+03 1.89E+03 4.42E+03 1.57E+03 4.58E+03 1.63E+03 3.74E+03 1.35E+03 4.44E+03 3.09E+03 3.25E+03 1.16E+03 4.88E+03 1.74E+03 2'-DEOXYGUANOSINE 1.63E+04 1.37E+04 5.25E+03 5.79E+03 1E+04 1.87E+03 4.46E+03 2.22E+03 3.32E+03 5.38E+03 1.4E+04 1.51E+04 8.67E+03 6.74E+03 5.12E+03 5.15E+03 3.99E+03 4.97E+03 4.55E+03 5.39E+03 3.62E+03 1.33E+03 4.75E+03 1.75E+03 4.18E+03 760 4.35E+03 3.82E+03 3.53E+03 2.1E+03 4.39E+03 2.58E+03 9.39E+03 1.45E+04 2.59E+03 954 9.39E+03 7.5E+03 1.17E+04 1.03E+04 2-Ethylhexyl phthalate_1 9.28E+05 1.18E+07 9.05E+05 1.2E+07 8.63E+05 1.19E+07 9.65E+05 1.16E+07 9.97E+05 1.18E+07 9.25E+05 1.15E+07 9.39E+05 1.18E+07 9.44E+05 1.17E+07 1.01E+06 1.27E+07 9.7E+05 1.2E+07 9.36E+05 1.21E+07 9.38E+05 1.14E+07 9.42E+05 1.19E+07 9.42E+05 1.21E+07 9.76E+05 1.21E+07 9.8E+05 1.24E+07 9.14E+05 1.14E+07 9.02E+05 1.23E+07 8.7E+05 1.18E+07 9.26E+05 1.16E+07 2-Ethylhexyl phthalate_2 3.11E+05 9.7E+05 3.38E+05 1.05E+06 2.97E+05 9.41E+05 3.1E+05 9.28E+05 3.05E+05 1.02E+06 3.33E+05 9.31E+05 3.03E+05 9.13E+05 3.11E+05 9.32E+05 3.06E+05 9.6E+05 3.19E+05 8.6E+05 3.07E+05 8.93E+05 2.95E+05 9.7E+05 3.54E+05 1.07E+06 3.04E+05 9.26E+05 2.89E+05 9.24E+05 3.09E+05 9.69E+05 3.17E+05 9.65E+05 2.9E+05 9.76E+05 2.89E+05 9.6E+05 3.39E+05 1.01E+06 2-Furoate 5.31E+05 2.4E+06 2.01E+05 6.71E+05 3.91E+05 1.31E+06 1.8E+05 5.05E+05 1.45E+05 4.34E+05 1.32E+05 3.72E+05 1.6E+05 4.36E+05 1.43E+05 2.12E+05 1.79E+05 9.3E+05 1.8E+05 3.96E+05 1.69E+05 4.74E+05 1.88E+05 4.91E+05 1.72E+05 4.44E+05 3.89E+05 3.87E+05 1.59E+05 3.86E+05 1.7E+05 7.62E+05 1.54E+05 4.14E+05 1.35E+05 2.79E+05 1.45E+05 3.53E+05 5.84E+05 2.42E+06 2-Hydroxy-2,4-pentadienoate_1 1.08E+06 2.55E+06 2.52E+05 8.51E+05 5.1E+05 1.52E+06 1.92E+05 3.43E+05 2.12E+05 8.22E+05 1.92E+05 9.38E+05 2.08E+05 8.36E+05 1.57E+05 6.65E+05 2.26E+05 1.15E+06 2.29E+05 9.13E+05 2E+05 1.05E+06 1.86E+05 7.4E+05 2.28E+05 1.03E+06 6.16E+05 1.71E+06 1.82E+05 4.77E+05 2.11E+05 3.1E+05 2.26E+05 7.2E+05 2E+05 2.55E+05 1.94E+05 9.64E+05 1.31E+06 2.87E+06 2-Hydroxy-2,4-pentadienoate_2 1.14E+04 1.38E+04 1.47E+04 8.04E+03 1.35E+04 2.36E+03 1.23E+04 4.36E+03 1.63E+04 1.89E+04 1.06E+04 9.91E+03 1.48E+04 7.42E+03 1.33E+04 9.73E+03 1.5E+04 6.02E+03 1.14E+04 5.67E+03 1.61E+04 2.19E+04 1.39E+04 9.73E+03 1.2E+04 1.03E+04 1.5E+04 4.87E+03 1.35E+04 8.36E+03 1.49E+04 6.64E+03 1.08E+04 5.59E+03 1.33E+04 9.82E+03 1.07E+04 5.13E+03 1.52E+04 2.48E+03 2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine 1.72E+05 3.99E+05 6.24E+05 1.29E+06 1.74E+05 4.13E+05 4.53E+05 1.07E+06 7.68E+05 1.79E+06 1.04E+06 2.29E+06 7.7E+05 1.66E+06 7.53E+05 1.59E+06 2E+05 4.75E+05 6.84E+05 1.57E+06 7.27E+05 1.52E+06 6.33E+05 1.33E+06 8.01E+05 1.76E+06 1.77E+05 3.95E+05 1E+06 2E+06 4.56E+05 9.93E+05 1.49E+05 3.59E+05 7.9E+05 1.76E+06 7.3E+05 1.71E+06 1.18E+05 2.71E+05 2-Hydroxycyclohexan-1-one 3.51E+04 8.29E+04 3.13E+04 2.28E+04 2.95E+04 2.05E+04 3.55E+04 1.58E+04 3.2E+04 1.54E+04 3.04E+04 4.99E+04 3.19E+04 2.25E+04 3.22E+04 7.9E+03 3.28E+04 6.59E+04 3.35E+04 3.53E+04 3.52E+04 6.87E+04 3.59E+04 1.02E+04 3.22E+04 3.55E+04 3.17E+04 8.84E+04 3.28E+04 1.74E+04 3.96E+04 1.15E+05 4.72E+04 6.1E+04 2.87E+04 6.92E+04 2.88E+04 6.71E+04 3.09E+04 6.11E+04 2-Hydroxymethylclavam 4.25E+05 1.72E+06 1.44E+06 1.07E+07 9.85E+05 7.28E+06 1.53E+06 1.14E+07 1.84E+06 1.26E+07 1.83E+06 1.22E+07 1.94E+06 1.4E+07 1.64E+06 9.57E+06 1.86E+06 1.16E+07 2.07E+06 1.33E+07 1.73E+06 1.15E+07 1.81E+06 1.18E+07 2.33E+06 1.28E+07 9.97E+05 6.73E+06 1.85E+06 1.15E+07 1.82E+06 1.2E+07 1.76E+06 1.22E+07 1.79E+06 1.22E+07 1.73E+06 1.14E+07 3.96E+05 1.88E+06 2-Maleylacetate 1.15E+06 7.32E+06 6.89E+05 2.04E+06 8.61E+05 6.85E+06 6.71E+05 2.07E+06 5.6E+05 5.63E+06 5.38E+05 1.79E+06 6.18E+05 2.03E+06 4.15E+05 1.26E+06 6.84E+05 2.2E+06 5.11E+05 1.71E+06 5.79E+05 1.92E+06 3.25E+05 9.7E+05 4.01E+05 1.23E+06 8.64E+05 8.44E+06 9.14E+05 9.02E+06 4.99E+05 1.63E+06 8.13E+05 2.49E+06 4.77E+05 1.5E+06 5.14E+05 1.63E+06 1.3E+06 9.87E+06 2-Methylpropanamine 5.2E+06 1.18E+08 5.6E+06 1.18E+08 4.82E+06 1.17E+08 3.2E+06 1.32E+08 4.14E+06 1.24E+08 4.18E+06 1.21E+08 6.77E+06 1.3E+08 7.03E+06 1.24E+08 7.93E+06 1.4E+08 6.31E+06 1.25E+08 5.6E+06 1.15E+08 4.94E+06 1.13E+08 5.28E+06 1.07E+08 5.67E+06 1.24E+08 8.62E+06 1.27E+08 5.47E+06 1.05E+08 2.67E+06 1.42E+08 3.09E+06 1.39E+08 3.37E+06 1.28E+08 3.33E+06 1.3E+08 2-Nitrofuran 6.62E+05 3.82E+07 7.05E+05 3.82E+07 6.98E+05 1.45E+07 6.64E+05 3.68E+07 6.99E+05 3.8E+07 6.87E+05 3.71E+07 6.59E+05 3.73E+07 6.81E+05 2.77E+07 7.34E+05 3.68E+07 6.68E+05 3.7E+07 6.3E+05 3.35E+07 7.75E+05 3.84E+07 6.81E+05 3.65E+07 7.12E+05 3.71E+07 6.41E+05 3.71E+07 6.78E+05 3.61E+07 7.01E+05 3.72E+07 6.05E+05 3.67E+07 6.95E+05 3.8E+07 6.3E+05 3.8E+07 2-Oxooctadecanoic acid 1.27E+05 4.07E+05 1.27E+05 4.18E+05 1.37E+05 4.95E+05 1.41E+05 4.53E+05 1.41E+05 7.32E+05 1.33E+05 4.75E+05 1.24E+05 4.26E+05 1.24E+05 3.75E+05 1.26E+05 4.35E+05 1.19E+05 4.2E+05 1.25E+05 4.13E+05 1.25E+05 4.69E+05 1.28E+05 3.92E+05 1.13E+05 4.01E+05 1.18E+05 4.59E+05 1.1E+05 4.17E+05 1.34E+05 4.52E+05 1.3E+05 4.82E+05 1.35E+05 5.42E+05 1.26E+05 4E+05 2-Oxosuberate 1.93E+06 3.74E+06 1.81E+06 3.5E+06 1.89E+06 3.73E+06 1.75E+06 3.3E+06 1.83E+06 3.48E+06 1.9E+06 3.56E+06 1.78E+06 3.48E+06 1.49E+06 2.74E+06 1.68E+06 3.52E+06 1.79E+06 3.47E+06 1.57E+06 3.1E+06 1.76E+06 3.6E+06 1.65E+06 3.36E+06 1.65E+06 3.09E+06 1.61E+06 3.17E+06 1.68E+06 3.14E+06 1.8E+06 3.69E+06 1.63E+06 3.35E+06 1.64E+06 3.28E+06 1.87E+06 3.68E+06 2-Thiophenesulfonamide 7.95E+05 8.3E+06 6.98E+05 8.11E+06 7.82E+05 8.18E+06 7.93E+05 8.12E+06 7.39E+05 7.42E+06 7.49E+05 7.97E+06 6.12E+05 8.39E+06 8.84E+05 7.98E+06 7.83E+05 7.74E+06 8.12E+05 8.06E+06 7.84E+05 8.22E+06 8.2E+05 7.95E+06 7.09E+05 7.89E+06 7.82E+05 7.89E+06 6.78E+05 7.72E+06 7.92E+05 1.66E+07 8.15E+05 8.33E+06 8.09E+05 8.6E+06 7.92E+05 8.16E+06 8.58E+05 8.38E+06 3-(2-Hydroxyphenyl)propanoate 9.59E+05 3.34E+06 9.76E+05 3.17E+06 1.04E+06 3.33E+06 9.55E+05 3.25E+06 9.5E+05 3.28E+06 1.04E+06 3.22E+06 1.07E+06 3.35E+06 1.02E+06 3.29E+06 9.7E+05 3.2E+06 9.83E+05 3.37E+06 9.73E+05 3.27E+06 1E+06 3.25E+06 9.92E+05 3.21E+06 1E+06 3.3E+06 9.97E+05 3.3E+06 9.59E+05 3.3E+06 1E+06 3.2E+06 9.64E+05 3.1E+06 9.86E+05 3.26E+06 9.61E+05 3.22E+06 3,4-Dihydroxyphenylethyleneglycol 8.22E+04 1.31E+05 7.39E+04 1.43E+05 8.21E+04 1.33E+05 6.34E+04 1.19E+05 7.9E+04 1.41E+05 9.25E+04 1.39E+05 8.16E+04 1.36E+05 5.49E+04 1.19E+05 6.56E+04 1.05E+05 7.12E+04 1.01E+05 6.46E+04 1.13E+05 6.96E+04 8.69E+04 7.11E+04 1.08E+05 7.74E+04 1.09E+05 7.13E+04 1.01E+05 9.09E+04 1.25E+05 7.89E+04 1.3E+05 6.93E+04 1.29E+05 6.68E+04 8.8E+04 6.21E+04 1.22E+05 3,4-Methylenedioxymethamphetamine 3.15E+06 1E+08 3.18E+06 9.93E+07 3.24E+06 9.78E+07 3.04E+06 9.53E+07 3.17E+06 1.01E+08 2.99E+06 9.69E+07 2.89E+06 1.03E+08 3.26E+06 1.04E+08 3.09E+06 1.03E+08 2.92E+06 1.04E+08 3.14E+06 1.05E+08 3.26E+06 1.03E+08 2.94E+06 1.04E+08 2.94E+06 1.03E+08 2.82E+06 1.03E+08 2.99E+06 1.04E+08 2.94E+06 8.73E+07 3.05E+06 9.08E+07 3.08E+06 9.25E+07 3.01E+06 9.48E+07 3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_1 6.8E+05 6.05E+06 6.62E+05 5.81E+06 7.2E+05 7E+06 6.89E+05 7.7E+06 7.13E+05 6.8E+06 6.94E+05 7.8E+06 6.51E+05 7.29E+06 6.86E+05 5.84E+06 6.87E+05 7.59E+06 6.77E+05 6.73E+06 6.75E+05 6.12E+06 6.82E+05 6.78E+06 6.87E+05 6.12E+06 6.73E+05 6E+06 6.37E+05 6.12E+06 7.3E+05 5.48E+06 6.8E+05 5.59E+06 6.82E+05 5.59E+06 6.85E+05 6.09E+06 6.49E+05 1.93E+06 3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_2 7.89E+04 2.29E+05 8.37E+04 3.43E+05 7.39E+04 1.79E+05 8.14E+04 2.06E+05 7.55E+04 2.43E+05 6.33E+04 3.35E+05 7.98E+04 1.93E+05 9.51E+04 3.13E+05 8.2E+04 3.55E+05 8.86E+04 3.75E+05 7.86E+04 1.25E+05 8.23E+04 3.08E+05 8.41E+04 1.66E+05 8.36E+04 3.95E+05 8.08E+04 3.63E+05 8.73E+04 3.82E+05 7.4E+04 1.77E+05 5.97E+04 1.9E+05 6.6E+04 2.05E+05 8.1E+04 1.36E+05 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3.54E+03 1.31E+03 0 0 3.32E+03 1.23E+03 0 0 0 0 0 0 0 0 0 0 4.18E+03 1.5E+03 0 0 0 0 0 0 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone 1.05E+07 8.38E+06 8.75E+06 6.2E+06 9.88E+06 4.21E+07 8.57E+06 6.35E+06 8.81E+06 7.61E+06 8.95E+06 7.13E+06 9.8E+06 4.17E+07 7.11E+06 5.01E+06 9.37E+06 4.28E+07 1.02E+07 7.7E+06 1.01E+07 6.97E+06 9.48E+06 4.18E+07 8.09E+06 4.33E+07 8.16E+06 4.26E+07 8.17E+06 4.11E+07 8.06E+06 4.09E+07 1.06E+07 3.97E+07 9.97E+06 4.13E+07 7.26E+06 3.92E+07 1.11E+07 4.29E+07 3-Chloro-D-alanine 2.95E+05 6.17E+06 2.55E+05 6.05E+06 2.55E+05 6.09E+06 2.63E+05 4.88E+06 2.43E+05 3.29E+06 2.51E+05 3.85E+06 2.41E+05 3.7E+06 2.59E+05 3.95E+06 2.48E+05 3.19E+06 2.65E+05 4.76E+06 2.68E+05 6.11E+06 2.55E+05 4.76E+06 2.78E+05 9.54E+05 2.52E+05 1.28E+06 2.6E+05 9.38E+05 2.76E+05 2.31E+06 2.7E+05 6.24E+06 2.51E+05 6.18E+06 2.51E+05 3.89E+06 2.5E+05 9.81E+05 3-Dehydroquinate 0 0 0 0 5.39E+03 1.86E+03 3.66E+03 1.27E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4.6E+03 1.59E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-Isopropylcatechol 4.49E+04 9.26E+04 4.32E+04 1.22E+05 4.09E+04 8.65E+04 4.32E+04 7.11E+04 4.23E+04 7.97E+04 4.55E+04 2.22E+04 4.54E+04 7.52E+04 4.75E+04 7.32E+04 4.45E+04 1.27E+05 3.99E+04 1.62E+05 4.7E+04 3.61E+04 5.36E+04 1.3E+05 4.34E+04 6.48E+04 5.13E+04 3.84E+04 4.48E+04 6.2E+04 4.96E+04 1.84E+05 4.59E+04 1.1E+05 4.94E+04 1.06E+05 4.54E+04 8.91E+04 4.45E+04 6.23E+04 3-Methyl-2-oxobutanoic acid_1 2.5E+05 1.31E+06 1.18E+06 9.16E+06 7.71E+05 5.65E+06 1.3E+06 1.05E+07 1.51E+06 1.18E+07 1.48E+06 1.22E+07 1.63E+06 1.28E+07 1.08E+06 8.19E+06 1.5E+06 1.11E+07 1.56E+06 1.31E+07 1.31E+06 1E+07 1.39E+06 1.11E+07 1.44E+06 1.09E+07 5.7E+05 4.57E+06 1.2E+06 9.17E+06 1.26E+06 9.64E+06 1.78E+06 1.58E+07 1.6E+06 1.31E+07 1.68E+06 1.3E+07 2.63E+05 1.57E+06 3-Methyl-2-oxobutanoic acid_2 2.05E+04 6.96E+03 2.61E+04 3.66E+04 2.92E+04 5.2E+04 2.13E+04 1.15E+04 3.21E+04 1.97E+04 2.76E+04 6.78E+04 2.91E+04 2.17E+04 2.36E+04 2E+04 2.8E+04 4.62E+03 2.97E+04 2.05E+04 2.11E+04 8.69E+04 2.87E+04 1.34E+04 2.93E+04 4.81E+03 1.84E+04 3.26E+04 2.64E+04 1.51E+04 3.07E+04 2.73E+04 3.38E+04 1.81E+04 3.65E+04 8.62E+03 2.99E+04 2.55E+04 1.47E+04 2.04E+04 3-Methyleneoxindole 3.04E+05 6.23E+05 2.88E+05 6.69E+05 2.8E+05 6.26E+05 2.79E+05 6.06E+05 3.7E+05 8.15E+05 2.83E+05 6.36E+05 3.59E+05 7.91E+05 3.04E+05 6.77E+05 2.92E+05 6.58E+05 3.67E+05 7.84E+05 3.05E+05 6.74E+05 3.49E+05 7.08E+05 3.1E+05 7.14E+05 2.58E+05 5.42E+05 2.77E+05 6.02E+05 2.99E+05 6.79E+05 3.04E+05 6.88E+05 2.64E+05 6.08E+05 3.12E+05 6.09E+05 2.71E+05 6.06E+05 3-Phosphonooxypyruvate 1.29E+07 6.16E+08 1.29E+07 6.2E+08 1.31E+07 6.21E+08 1.35E+07 6.03E+08 1.29E+07 6.12E+08 1.4E+07 6.18E+08 1.32E+07 6.06E+08 1.37E+07 6.1E+08 1.29E+07 6.11E+08 1.39E+07 6.09E+08 1.25E+07 6.16E+08 1.24E+07 6.09E+08 1.32E+07 5.99E+08 1.34E+07 6.03E+08 1.23E+07 5.98E+08 1.32E+07 5.88E+08 1.39E+07 6.04E+08 1.33E+07 6.19E+08 1.45E+07 6.25E+08 1.31E+07 6.11E+08 3-Sulfocatechol 6.72E+04 1.66E+05 5.75E+04 1.72E+05 6.93E+04 1.18E+05 6.79E+04 1.72E+05 5.58E+04 1.6E+05 7.58E+04 2.02E+05 7E+04 2.03E+05 6.36E+04 1.47E+05 6.13E+04 1.35E+05 8.11E+04 2.1E+05 5.73E+04 1.76E+05 7.52E+04 1.84E+05 7.65E+04 1.94E+05 5.9E+04 1.67E+05 5.67E+04 1.69E+05 5.81E+04 1.45E+05 9.3E+04 2.46E+05 7.89E+04 1.88E+05 7.86E+04 2.09E+05 6.52E+04 9.46E+04 4-Acetamidobutanoate 3.1E+05 7.85E+05 6.56E+05 4.01E+06 2.19E+05 1.32E+06 5.6E+05 1.03E+07 7.43E+05 6.51E+06 4.8E+05 1.28E+06 6.12E+05 5.95E+06 4.36E+05 1.07E+06 4.28E+05 1.03E+06 5.84E+05 5.75E+06 4.38E+05 1.13E+06 5.41E+05 5.32E+06 4.77E+05 1.28E+06 2.78E+05 6.79E+05 5.42E+05 5.3E+06 6.01E+05 5.3E+06 5.04E+05 8.86E+06 5.14E+05 4.41E+06 4.94E+05 1.31E+06 3.14E+05 7.5E+05 4-Amino-2-hydroxylamino-6-nitrotoluene 7.15E+04 1.66E+05 3.43E+04 7.2E+04 8.93E+04 2.08E+05 7.45E+04 1.89E+05 9.26E+04 2.21E+05 1.04E+05 1.9E+05 8.04E+04 2E+05 5.22E+04 3.59E+04 9.26E+04 3.08E+05 5.43E+04 1.18E+05 3.72E+04 7.6E+04 3.63E+04 7.15E+04 3.98E+04 1.29E+04 6.08E+04 6.26E+04 7.5E+04 1.69E+05 4.68E+04 9.08E+04 6.96E+04 1.4E+05 3.18E+04 7.8E+04 1.06E+05 1.65E+05 4.63E+04 2.79E+04 4-AMINOBUTANOATE 1.88E+05 8.98E+05 2.55E+05 2.22E+06 1.73E+05 1.13E+06 2.39E+05 1.5E+06 1.95E+05 6.36E+05 2.95E+05 1.74E+06 2.4E+05 9.48E+05 2.04E+05 6.36E+05 2.01E+05 1.3E+06 1.92E+05 8.52E+05 1.96E+05 1.08E+06 2.58E+05 7.75E+05 1.94E+05 7.83E+05 2.17E+05 1.36E+06 2.66E+05 1.6E+06 2.25E+05 8.89E+05 1.77E+05 1.52E+06 2.18E+05 7.89E+05 2.64E+05 1.78E+06 2.03E+05 8.5E+05 4-Aminobutyraldehyde_1 5.84E+05 2.68E+08 5.6E+05 2.69E+08 5.97E+05 2.68E+08 5.72E+05 4.35E+07 5.97E+05 2.71E+08 5.87E+05 2.7E+08 5.6E+05 2.87E+07 5.77E+05 2.09E+07 5.58E+05 3.6E+07 5.7E+05 3.46E+07 5.72E+05 2.71E+08 5.85E+05 2.71E+08 5.77E+05 2.78E+08 5.75E+05 3.05E+07 6.07E+05 5.4E+07 5.87E+05 1.92E+07 5.65E+05 5.45E+06 5.66E+05 7.29E+07 5.69E+05 5.1E+07 5.47E+05 4.34E+07 4-Aminobutyraldehyde_2 5.73E+05 1.77E+07 5.45E+05 4.64E+07 5.81E+05 5.89E+07 5.9E+05 2.84E+07 5.59E+05 3.62E+07 5.62E+05 1.21E+07 5.71E+05 2.41E+07 5.82E+05 2.8E+08 5.58E+05 1.34E+07 5.75E+05 2.77E+08 5.48E+05 3.63E+07 5.51E+05 2.34E+07 5.66E+05 3.44E+07 6.08E+05 2.5E+07 6.07E+05 3.08E+07 5.83E+05 1.73E+07 5.61E+05 8.89E+07 5.66E+05 5.07E+07 5.59E+05 2.88E+07 5.58E+05 3.28E+07 4-Aminobutyraldehyde_3 5.73E+05 7.49E+06 5.39E+05 3.59E+07 5.38E+05 4.86E+07 5.9E+05 2.7E+08 5.3E+05 2.54E+07 5.44E+05 2.29E+07 5.41E+05 1.38E+07 5.82E+05 7.36E+06 5.49E+05 2.46E+07 5.75E+05 2.47E+06 5.41E+05 2.6E+07 5.51E+05 1.32E+07 5.66E+05 2.39E+07 5.87E+05 1.45E+07 5.68E+05 3.07E+07 5.83E+05 6.74E+06 5.61E+05 7.88E+07 5.29E+05 4.04E+07 5.54E+05 1.02E+08 5.58E+05 2.7E+08 4-Aminobutyraldehyde_4 1.38E+05 8.15E+05 1.3E+05 1.07E+06 1.32E+05 5.67E+05 1.26E+05 1.46E+05 1.34E+05 1.3E+06 1.31E+05 3.16E+05 1.34E+05 9.33E+05 1.48E+05 9.87E+05 1.33E+05 9.35E+05 1.35E+05 4.04E+05 1.27E+05 1.28E+06 1.47E+05 5.9E+05 1.43E+05 5.23E+05 1.47E+05 1.38E+06 1.52E+05 8.07E+05 1.51E+05 7.21E+05 1.38E+05 1.93E+05 1.22E+05 1.16E+06 1.29E+05 2.92E+05 1.25E+05 9.11E+05 4-Fluorocyclohexadiene-cis,cis-1,2-diol 1.49E+06 4.34E+06 1.46E+06 8.89E+06 1.5E+06 1.39E+07 1.39E+06 1.16E+07 1.5E+06 9.99E+06 1.61E+06 4.42E+06 1.46E+06 9.55E+06 1.28E+06 3.36E+06 1.64E+06 8.98E+06 1.41E+06 1.22E+07 1.41E+06 9.05E+06 1.47E+06 1.12E+07 1.39E+06 3.95E+06 1.26E+06 1.01E+07 1.3E+06 3.63E+06 1.25E+06 1.26E+07 1.6E+06 4.33E+06 1.4E+06 9.73E+06 1.44E+06 1.13E+07 1.43E+06 1.21E+07 4-Guanidinobutanal 6.6E+06 7.2E+07 1.21E+07 1.01E+08 6.87E+06 7.48E+07 1.17E+07 9.65E+07 1.4E+07 1.07E+08 1.41E+07 9.89E+07 1.39E+07 1.14E+08 1.18E+07 1.06E+08 9.85E+06 9.18E+07 1.27E+07 1.1E+08 1.35E+07 1.08E+08 1.26E+07 1.05E+08 1.32E+07 1.09E+08 7.96E+06 8.7E+07 1.3E+07 1.14E+08 1.43E+07 1.17E+08 7.95E+06 7.28E+07 1.04E+07 8.5E+07 1.25E+07 9.05E+07 5.37E+06 6.28E+07 4-Guanidinobutanoate 5.05E+04 7.74E+04 7.93E+04 2.18E+05 4.75E+04 1.32E+05 7.95E+04 2.26E+05 7.87E+04 2.2E+05 8.83E+04 2.59E+05 7.27E+04 1.24E+05 9.49E+04 2.59E+05 5.92E+04 1.35E+05 6.05E+04 1.76E+05 9.38E+04 2.77E+05 9.16E+04 2.75E+05 8.88E+04 2.72E+05 7.44E+04 2E+05 5.66E+04 1.69E+05 7.04E+04 1.91E+05 9.08E+04 2.53E+05 8.16E+04 2.39E+05 6.5E+04 5.86E+04 7.33E+04 1.97E+05 4-Hexyloxyphenol 1E+05 2.95E+05 1.03E+05 3.45E+05 1.16E+05 3.42E+05 1.11E+05 3.11E+05 1.18E+05 3.79E+05 1.06E+05 3.08E+05 1.13E+05 1.61E+05 1.24E+05 2.9E+05 1.23E+05 3.28E+05 1.14E+05 3.25E+05 1.17E+05 3.42E+05 1.1E+05 3.14E+05 9.58E+04 3.14E+05 1.19E+05 3.28E+05 1.21E+05 3.57E+05 9.61E+04 2.89E+05 1.03E+05 3.08E+05 9.35E+04 3.17E+05 1.08E+05 2.6E+05 1.1E+05 3.5E+05 4-Hydroxy-2-butynal 5.72E+05 3.04E+06 2.57E+06 9.63E+06 1.82E+06 6.29E+06 2.73E+06 1.07E+07 2.99E+06 1.17E+07 3.42E+06 1.23E+07 3.3E+06 1.31E+07 2.68E+06 9.37E+06 3.56E+06 1.16E+07 3.37E+06 1.36E+07 2.71E+06 1.06E+07 3.12E+06 1.1E+07 3.94E+06 1.38E+07 1.58E+06 6.01E+06 2.69E+06 1.05E+07 3.29E+06 1.09E+07 2.95E+06 1.28E+07 2.95E+06 1.09E+07 3.2E+06 1.21E+07 5.51E+05 3.2E+06 4-Hydroxy-2-quinolinecarboxylic acid 0 0 4.01E+03 1.4E+03 4.55E+03 1.59E+03 3.87E+03 1.34E+03 3.79E+03 1.32E+03 4.31E+03 1.5E+03 0 0 3.63E+03 1.26E+03 5.2E+03 1.8E+03 4.44E+03 1.53E+03 4.79E+03 1.66E+03 7.35E+03 4.42E+03 0 0 0 0 0 0 0 0 7.03E+03 3.14E+03 4.26E+03 1.48E+03 4.22E+03 1.47E+03 0 0 4'-Hydroxy-3'-prenylacetophenone 2.75E+04 5.7E+04 2.33E+04 3.15E+04 2.34E+04 4.09E+04 2.03E+04 4.28E+04 2.99E+04 6.23E+04 2.36E+04 3.14E+04 3.15E+04 3.51E+04 1.97E+04 2.61E+04 2.05E+04 8.1E+03 2.28E+04 2.27E+04 2.28E+04 3.59E+04 2.74E+04 4.53E+04 2.6E+04 3.88E+04 2.62E+04 3.1E+04 2.3E+04 1.88E+04 2.32E+04 2.75E+04 2.24E+04 3.01E+04 2E+04 4.74E+04 2.02E+04 1.09E+04 2.32E+04 2.6E+04 4-Methylene-L-glutamine 4.29E+05 1.06E+06 5.39E+05 1.36E+06 4.75E+05 1.21E+06 4.85E+05 1.14E+06 4.54E+05 1.08E+06 7.73E+05 1.8E+06 5.51E+05 1.27E+06 5E+05 1.11E+06 4.48E+05 1.03E+06 7.26E+05 1.53E+06 5.22E+05 1.29E+06 6.1E+05 1.49E+06 6.55E+05 1.44E+06 4.05E+05 9.75E+05 5.9E+05 1.35E+06 5.24E+05 1.24E+06 4.89E+05 1.23E+06 5.23E+05 1.3E+06 5.71E+05 2.53E+06 4.38E+05 1.01E+06 4-Oxocyclohexanecarboxylate 1.98E+04 2.02E+04 3.06E+04 4.56E+04 1.87E+04 4.21E+03 2.01E+04 3.45E+04 3.47E+04 1.25E+05 2.27E+04 3.93E+04 3.32E+04 5.33E+04 5.03E+04 1.45E+05 3.13E+04 4.89E+04 3.19E+04 2.18E+04 2.82E+04 2.53E+04 2.2E+04 4.25E+04 3.86E+04 4.64E+04 2.72E+04 3.71E+04 3.61E+04 3.19E+04 3.25E+04 5.86E+04 1.74E+04 1.76E+04 2.35E+04 2.58E+04 1.86E+04 5.06E+03 1.85E+04 4.73E+03 4-Vinylcyclohexene 9.86E+04 2.97E+05 7.82E+04 2.74E+05 7.75E+04 2.05E+05 7.72E+04 2.34E+05 9.43E+04 3.46E+05 7.77E+04 2.77E+05 7.47E+04 2.39E+05 1.08E+05 2.8E+05 1.05E+05 3.44E+05 7.57E+04 2.5E+05 8.64E+04 2.39E+05 9.6E+04 2.63E+05 1.07E+05 2.6E+05 8.49E+04 2.96E+05 8.01E+04 4.16E+05 1.12E+05 5.08E+05 3.45E+05 8.66E+05 7.41E+04 3.16E+05 7.01E+04 1.99E+05 7.64E+04 2.21E+05 5,6-Dihydrothymine 1.3E+06 2.14E+07 1.7E+06 2.23E+07 1.27E+06 2.12E+07 1.53E+06 2.21E+07 1.85E+06 2.29E+07 1.72E+06 2.35E+07 1.68E+06 2.21E+07 1.68E+06 2.25E+07 1.34E+06 2.05E+07 1.59E+06 2.35E+07 1.71E+06 2.34E+07 1.71E+06 2.18E+07 1.65E+06 2.22E+07 1.21E+06 2.07E+07 1.6E+06 2.4E+07 1.45E+06 2.26E+07 1.42E+06 1.81E+07 1.38E+06 2.07E+07 1.54E+06 2.18E+07 1.55E+06 2.15E+07 5,6-Dihydrouracil 3.5E+04 1.74E+04 3.19E+04 1.94E+04 2.59E+04 1.96E+04 2.41E+04 2.43E+04 2.63E+04 2.65E+04 2.7E+04 8.84E+03 2.16E+04 7E+03 2.23E+04 2.32E+04 2.5E+04 1.68E+04 2.33E+04 3.15E+04 2.36E+04 2.35E+04 2.1E+04 3.84E+04 2.73E+04 8.99E+03 3.1E+04 5.12E+03 2.01E+04 1.44E+04 2.26E+04 1.77E+04 3.34E+04 1.36E+05 2.9E+04 1.27E+04 2.84E+04 1.36E+04 2.92E+04 4.8E+03 5-Acetamidopentanoate 2.08E+05 4.45E+05 1.65E+05 3.96E+05 2.5E+05 5.8E+05 2.53E+05 5.6E+05 1.89E+05 4.54E+05 2.15E+05 4.92E+05 2.48E+05 5.32E+05 1.39E+05 3.43E+05 2.97E+05 6.93E+05 2.11E+05 5.28E+05 1.32E+05 3.14E+05 2.11E+05 4.92E+05 1.88E+05 4.08E+05 1.81E+05 4.02E+05 2.37E+05 5.31E+05 2.54E+05 5.7E+05 3.25E+05 7.9E+05 1.75E+05 4.12E+05 1.69E+05 4.08E+05 1.18E+05 2.81E+05 5-Amino-6-(5'-phosphoribosylamino)uracil 5.21E+06 1.52E+07 4.71E+06 1.44E+07 5.24E+06 1.61E+07 4.74E+06 1.45E+07 4.46E+06 1.4E+07 4.84E+06 1.47E+07 4.86E+06 1.44E+07 4.11E+06 1.19E+07 4.62E+06 1.42E+07 4.83E+06 1.45E+07 3.95E+06 1.21E+07 4.93E+06 1.47E+07 4.34E+06 1.33E+07 4.34E+06 1.29E+07 4.31E+06 1.23E+07 3.91E+06 1.25E+07 5.07E+06 1.61E+07 4.23E+06 1.35E+07 4.48E+06 1.38E+07 5.14E+06 1.59E+07 5-Aminopentanamide 1.4E+04 1.47E+04 1.27E+04 5.76E+03 1.41E+04 1.62E+04 1.57E+04 5.13E+03 1.42E+04 2.36E+03 2.35E+04 1.54E+04 1.75E+04 5.58E+03 1.85E+04 9.78E+03 1.55E+04 7.51E+03 1.19E+04 3.98E+03 1.3E+04 5.48E+03 1.68E+04 1.2E+04 1.5E+04 4.78E+03 1.91E+04 8.07E+03 1.08E+04 6.26E+03 1.4E+04 7.98E+03 2.41E+04 8.1E+03 2.02E+04 6.45E+03 1.49E+04 2.58E+03 1.98E+04 9.83E+03 5-AMINOPENTANOATE 2.98E+08 2.29E+09 2.91E+08 2.23E+09 3.03E+08 2.27E+09 2.87E+08 2.16E+09 2.91E+08 2.28E+09 2.93E+08 2.23E+09 3.08E+08 2.36E+09 2.48E+08 2.24E+09 2.89E+08 2.34E+09 3.04E+08 2.38E+09 2.77E+08 2.32E+09 2.94E+08 2.35E+09 3.01E+08 2.37E+09 2.76E+08 2.32E+09 2.69E+08 2.31E+09 2.83E+08 2.36E+09 2.88E+08 2.13E+09 2.83E+08 2.11E+09 2.81E+08 2.12E+09 2.92E+08 2.19E+09 5-Methylthiopentanaldoxime 6.51E+06 1.93E+07 9.11E+06 2.79E+07 6.42E+06 1.93E+07 9.2E+06 2.71E+07 9.68E+06 2.88E+07 1.09E+07 3.08E+07 9.96E+06 2.96E+07 8.99E+06 2.54E+07 7.83E+06 2.17E+07 1.01E+07 3.03E+07 8.15E+06 2.58E+07 1E+07 2.97E+07 1.01E+07 2.95E+07 7.26E+06 2E+07 1.04E+07 3.21E+07 9.23E+06 2.7E+07 7.76E+06 2.1E+07 1.01E+07 3.01E+07 9.98E+06 2.93E+07 6.52E+06 1.88E+07 5-OXO-L-PROLINE 1.23E+08 6.51E+08 1.52E+08 8E+08 1.24E+08 6.35E+08 1.52E+08 7.66E+08 1.46E+08 7.65E+08 1.67E+08 8.58E+08 1.29E+08 7.11E+08 1.25E+08 6.62E+08 1.33E+08 6.78E+08 1.2E+08 7.07E+08 1.25E+08 6.59E+08 1.61E+08 8.21E+08 1.24E+08 6.96E+08 1.1E+08 5.83E+08 1.2E+08 6.79E+08 1.45E+08 7.51E+08 1.59E+08 7.41E+08 1.1E+08 6.29E+08 1.55E+08 8.02E+08 1.29E+08 6.35E+08 5-Valerolactone 2.51E+04 6.47E+04 2.18E+04 8.98E+04 2.23E+04 2.49E+04 2.06E+04 3.49E+04 2.39E+04 2.32E+04 2.35E+04 5.36E+04 2.42E+04 1.26E+05 2.33E+04 1.12E+04 2.47E+04 1.32E+05 2.24E+04 8.79E+04 2.43E+04 3.87E+04 2.29E+04 7.8E+04 2.26E+04 6.48E+03 2.36E+04 6.1E+04 2.76E+04 4.69E+04 2.34E+04 3.19E+04 2.22E+04 8.6E+04 2.54E+04 4.04E+04 2.1E+04 2.84E+04 2.66E+04 1.06E+05 6-DEOXY-L-GALACTOSE 6.39E+04 1.67E+05 2.31E+04 1.47E+04 5.6E+04 1.44E+05 3.32E+04 4.23E+04 2.53E+04 1.33E+04 4.22E+04 4.24E+04 3.17E+04 1.97E+04 4.09E+04 6.81E+03 6.62E+04 1.56E+05 2.44E+04 5.84E+03 3.02E+04 5.07E+03 3.1E+04 9.49E+03 3.22E+04 9.48E+03 6.18E+04 1.28E+05 3.77E+04 5.05E+04 4.08E+04 6.65E+03 5.8E+04 1.39E+05 3.03E+04 2.85E+04 2.86E+04 3.73E+04 6.93E+04 9.4E+04 7-Dehydrodesmosterol 2.96E+03 1.07E+03 2.73E+03 987 1.24E+04 1.01E+04 3.82E+03 1.37E+03 3.65E+03 1.31E+03 4.21E+03 1.49E+03 3.32E+03 1.21E+03 3.21E+03 1.17E+03 5.43E+03 7.81E+03 3.83E+03 1.39E+03 4.05E+04 7.86E+04 9.31E+03 3.41E+03 3.06E+03 1.11E+03 1.1E+04 6.06E+03 3.61E+03 2.33E+03 3.42E+03 1.27E+03 5.6E+03 4.26E+03 5.47E+03 3.06E+03 3.85E+03 1.4E+03 3.99E+04 8.48E+04 8-Amino-7-oxononanoate 1.36E+04 7E+03 1.28E+04 4.59E+03 1.18E+04 4.91E+03 1.33E+04 7.49E+03 7.88E+03 1.39E+03 1.28E+04 6.49E+03 1.44E+04 8.78E+03 1.33E+04 4.06E+03 1.24E+04 5.14E+03 1.36E+04 8.01E+03 1.33E+04 3.8E+03 1.08E+04 7.54E+03 8.21E+03 4.27E+03 1.24E+04 3.33E+03 1.34E+04 1.13E+04 1.14E+04 3.74E+03 1.04E+04 4.46E+03 1.03E+04 1.21E+04 1.15E+04 2.12E+03 1.28E+04 4.14E+03 8-Deoxylactucin 5.18E+05 2.42E+06 4.5E+05 1.51E+06 4.91E+05 1.56E+06 4.32E+05 1.44E+06 5.01E+05 2.37E+06 4.44E+05 1.48E+06 5.4E+05 2.63E+06 5.75E+05 2.8E+06 5.05E+05 2.62E+06 5.99E+05 2.79E+06 5.36E+05 2.55E+06 5.71E+05 2.65E+06 5.8E+05 2.87E+06 6.01E+05 2.91E+06 5.75E+05 2.94E+06 5.32E+05 2.77E+06 3.85E+05 1.3E+06 3.94E+05 1.36E+06 4.38E+05 1.47E+06 4.56E+05 1.51E+06 9,12,13-TriHOME 5.43E+05 4.43E+06 5.24E+05 4.42E+06 5.1E+05 4.39E+06 5.41E+05 4.43E+06 5.1E+05 4.3E+06 4.61E+05 1.3E+06 5.33E+05 4.4E+06 6.03E+05 4.33E+06 5.23E+05 4.46E+06 5.26E+05 4.75E+06 5.35E+05 4.45E+06 5.29E+05 4.33E+06 5.6E+05 4.47E+06 5.29E+05 4.57E+06 4.75E+05 1.28E+06 5.59E+05 4.5E+06 4.77E+05 1.31E+06 5.12E+05 4.24E+06 4.93E+05 1.32E+06 5.68E+05 4.44E+06 Acetyl phosphate 2.05E+06 9.64E+07 1.89E+06 8.47E+07 1.95E+06 9.23E+07 2.23E+06 8.97E+07 1.95E+06 9.18E+07 2.15E+06 9.3E+07 2.08E+06 9.24E+07 2.02E+06 9.33E+07 2.07E+06 9.39E+07 2.28E+06 8.45E+07 1.99E+06 8.53E+07 2.13E+06 9.11E+07 1.99E+06 9.43E+07 2.06E+06 8.53E+07 2.11E+06 9.36E+07 2.17E+06 8.26E+07 2.14E+06 8.96E+07 1.95E+06 8.95E+07 2.23E+06 9.49E+07 2.1E+06 9.11E+07 Acremoauxin A 0 0 0 0 0 0 0 0 2.54E+03 938 0 0 0 0 2.41E+03 881 0 0 2.31E+03 846 0 0 0 0 0 0 0 0 0 0 0 0 2.44E+03 902 0 0 0 0 2.47E+03 897 Acridine 0 0 8.99E+03 2.96E+03 0 0 9.4E+03 3.16E+03 2.23E+05 7.25E+04 1.95E+05 6.34E+04 0 0 4.66E+03 1.65E+03 0 0 1.71E+05 5.53E+04 1.1E+05 3.6E+04 1.59E+04 5.13E+03 2.73E+05 8.94E+04 1.16E+05 3.82E+04 2.14E+05 7E+04 1.62E+05 5.26E+04 1.21E+05 3.96E+04 8.99E+04 2.92E+04 6.02E+03 2.07E+03 4.22E+04 1.44E+04 ADENINE 2.04E+04 4.09E+04 2.05E+04 6.32E+04 2.06E+04 5.75E+04 2.09E+04 3.54E+04 2.16E+04 6.67E+04 2.88E+04 4.83E+04 2.17E+04 4.12E+04 2.12E+04 1.27E+04 2.15E+04 7.09E+04 2.22E+04 4.04E+04 2.18E+04 3.18E+04 2.48E+04 8.74E+04 1.92E+04 2.23E+04 2.04E+04 1.33E+04 2.09E+04 1.04E+04 2.18E+04 5.08E+03 3.03E+04 1.25E+05 2.74E+04 8.95E+04 2.45E+04 6.44E+04 2.2E+04 3.86E+04 ADENOSINE 5'-MONOPHOSPHATE 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AGMATINE SULFATE 1.12E+04 3.71E+03 1.79E+04 1.4E+04 1.11E+04 6.41E+03 1.22E+04 1.21E+04 1.03E+04 3.4E+03 9.6E+03 5.42E+03 8.81E+03 2.93E+03 1.26E+04 4.1E+03 6.61E+03 2.22E+03 9.71E+03 4.62E+03 1.13E+04 3.7E+03 1.48E+04 1.13E+04 1.37E+04 1.03E+04 1.62E+04 1.38E+04 1.44E+04 4.64E+03 1.03E+04 3.42E+03 1.35E+04 1.1E+04 9.45E+03 5.64E+03 1.08E+04 3.55E+03 9.71E+03 3.21E+03 alpha-Sinensal 1.25E+06 8.13E+06 1.24E+06 8.02E+06 1.21E+06 8.46E+06 1.25E+06 8.18E+06 1.27E+06 7.79E+06 1.28E+06 8.09E+06 1.2E+06 7.86E+06 1.18E+06 6.55E+06 1.28E+06 8.35E+06 1.29E+06 7.77E+06 1.32E+06 8.51E+06 1.32E+06 8.38E+06 1.31E+06 8.22E+06 1.22E+06 7.78E+06 1.25E+06 7.57E+06 1.21E+06 8.07E+06 1.27E+06 8.22E+06 1.34E+06 8.04E+06 1.26E+06 8.57E+06 1.27E+06 8.49E+06 Alprazolam 8.63E+05 3.08E+06 9.38E+05 3.23E+06 1.17E+06 3.7E+06 1.01E+06 3.65E+06 1.1E+06 3.24E+06 1.03E+06 3.33E+06 8.24E+05 3.05E+06 8.99E+05 3.32E+06 8.75E+05 3.4E+06 8.57E+05 3.27E+06 8.42E+05 3.23E+06 8.25E+05 2.98E+06 8.7E+05 3.11E+06 8.23E+05 3.13E+06 1.03E+06 3.23E+06 8.1E+05 2.96E+06 1.07E+06 3.56E+06 1.27E+06 3.8E+06 9.19E+05 3.23E+06 9.07E+05 3.21E+06 Apigenin 7,4'-dimethyl ether 2.44E+05 7.77E+05 3.98E+05 1.18E+06 2.87E+05 8.14E+05 4.15E+05 1.18E+06 4.61E+05 1.33E+06 5.25E+05 1.54E+06 4.61E+05 1.37E+06 3.41E+05 1.04E+06 3.42E+05 1.03E+06 4.48E+05 1.36E+06 3.43E+05 1.06E+06 3.9E+05 1.15E+06 4.02E+05 1.15E+06 2.81E+05 8.32E+05 3.98E+05 1.19E+06 3.93E+05 1.11E+06 3.3E+05 1.06E+06 3.23E+05 9.95E+05 5.28E+05 1.6E+06 2.54E+05 7.44E+05 Aplysin 4.07E+03 1.49E+03 0 0 0 0 3.22E+03 1.18E+03 0 0 0 0 0 0 0 0 0 0 2.84E+03 1.03E+03 0 0 0 0 0 0 0 0 2.91E+03 1.06E+03 0 0 0 0 0 0 0 0 5.37E+03 6.12E+03 Artecanin 4.2E+04 1.31E+05 4.97E+04 1.54E+05 5.29E+04 1.43E+05 3.81E+04 1.12E+05 5.05E+04 1.66E+05 5.18E+04 1.05E+05 4.8E+04 1.55E+05 4.41E+04 1.58E+05 4.7E+04 1.58E+05 5.67E+04 6.62E+04 4.52E+04 8.13E+04 4.68E+04 1.79E+05 5.13E+04 1.78E+05 5.61E+04 8.62E+04 4.36E+04 1.32E+05 4.52E+04 1.6E+05 4.41E+04 1.47E+05 4.27E+04 9.43E+04 3.94E+04 7.25E+04 4.01E+04 6.02E+04 Azelaic acid 1.51E+05 3.37E+05 1.65E+05 3.75E+05 1.7E+05 4.07E+05 1.62E+05 3.51E+05 1.72E+05 3.68E+05 1.57E+05 3.53E+05 1.51E+05 3.64E+05 1.46E+05 3.68E+05 1.51E+05 3.66E+05 1.68E+05 3.65E+05 1.81E+05 3.97E+05 1.71E+05 4.03E+05 1.49E+05 3.63E+05 1.63E+05 3.82E+05 1.71E+05 4E+05 1.88E+05 3.84E+05 1.55E+05 3.72E+05 1.63E+05 2.64E+05 1.59E+05 3.78E+05 1.53E+05 3.66E+05 Bakkenolide A 1.55E+06 5.33E+06 1.58E+06 5.33E+06 1.5E+06 5.16E+06 1.61E+06 5.53E+06 1.55E+06 5.53E+06 1.62E+06 5.55E+06 1.58E+06 5.17E+06 1.54E+06 5.24E+06 1.55E+06 5.27E+06 1.53E+06 5.57E+06 1.58E+06 5.41E+06 1.6E+06 5.33E+06 1.43E+06 5.22E+06 1.52E+06 5.06E+06 1.42E+06 5.04E+06 1.51E+06 4.84E+06 1.49E+06 5.17E+06 1.54E+06 5.3E+06 1.59E+06 5.38E+06 1.57E+06 5.5E+06 Beclomethasone 6.48E+03 6.49E+03 6.21E+03 6.74E+03 1.12E+04 6.36E+03 1.49E+04 3.23E+03 1.86E+04 1.14E+04 6.03E+03 4.02E+03 1.15E+04 1.84E+04 1.07E+04 8.71E+03 1.24E+04 6.13E+03 1.91E+04 1.03E+04 6.1E+03 1.29E+04 1.08E+04 1.38E+04 1.09E+04 5.67E+03 1.11E+04 4.67E+03 1.07E+04 6.62E+03 1.22E+04 1.37E+04 1.64E+04 1.48E+04 1E+04 9.62E+03 5.04E+03 5.91E+03 5.33E+03 5.44E+03 Bensulfuron-methyl 2.74E+05 8.67E+05 2.33E+05 8.09E+05 2.53E+05 8.49E+05 2.34E+05 7.76E+05 2.49E+05 8.85E+05 2.5E+05 8.31E+05 2.55E+05 9.21E+05 2.98E+05 1E+06 3.05E+05 9.87E+05 3.02E+05 1.02E+06 3E+05 9.75E+05 2.76E+05 9.33E+05 3.44E+05 9.86E+05 3.04E+05 1.01E+06 3.13E+05 1.06E+06 3.11E+05 1.07E+06 2.31E+05 7.2E+05 2.36E+05 7.18E+05 1.94E+05 7.01E+05 2.43E+05 7.52E+05 Benzofuran 0 0 0 0 3.8E+03 1.34E+03 5.59E+03 1.96E+03 0 0 0 0 0 0 0 0 4.32E+03 1.5E+03 0 0 0 0 5.31E+03 1.84E+03 0 0 0 0 0 0 0 0 0 0 0 0 4.38E+03 1.53E+03 0 0 Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate 1.81E+06 3.31E+06 1.83E+06 3.37E+06 1.86E+06 3E+06 1.62E+06 3.27E+06 1.96E+06 3.48E+06 1.75E+06 4.81E+06 1.6E+06 3.23E+06 1.42E+06 2.6E+06 1.61E+06 2.95E+06 2.02E+06 3.11E+06 1.44E+06 2.8E+06 1.97E+06 3.85E+06 1.75E+06 2.52E+06 1.44E+06 2.4E+06 1.32E+06 2.63E+06 1.67E+06 2.8E+06 1.85E+06 3.25E+06 1.66E+06 3.28E+06 1.89E+06 3.36E+06 1.53E+06 2.88E+06 Benzyl alcohol 2.46E+04 4.24E+04 3.28E+04 2.15E+04 2.61E+04 5.37E+04 2.02E+04 1.13E+04 3.17E+04 1.95E+04 2.72E+04 3.65E+04 2.78E+04 9.16E+04 2.65E+04 6.86E+04 2.4E+04 4.38E+04 3.09E+04 2.43E+04 2.53E+04 6.12E+04 2.44E+04 3.33E+04 2.68E+04 3.98E+04 2.71E+04 1.33E+04 2.48E+04 1.93E+04 3.05E+04 6.94E+04 2.92E+04 4.57E+04 2.4E+04 3.59E+04 2.84E+04 6.15E+04 2.43E+04 4.18E+04 Benzylpenicilloic acid 1.16E+07 5.2E+07 4.11E+07 1.58E+08 9.16E+06 4.46E+07 3.96E+07 1.52E+08 3.88E+07 1.46E+08 5.16E+07 2.1E+08 3.68E+07 1.49E+08 2.86E+07 1.19E+08 5.08E+06 2.84E+07 3.45E+07 1.52E+08 3.35E+07 1.36E+08 4.14E+07 1.67E+08 3.65E+07 1.51E+08 5.4E+06 2.65E+07 3.28E+07 1.32E+08 3.3E+07 1.32E+08 6.61E+06 3.6E+07 4.75E+07 1.78E+08 4.59E+07 1.75E+08 1.13E+07 5.27E+07 Bergapten 1.63E+06 9.19E+06 1.61E+06 1.06E+07 1.52E+06 9.72E+06 1.53E+06 1.07E+07 1.59E+06 1.08E+07 1.48E+06 1.12E+07 1.56E+06 1.1E+07 1.66E+06 1.12E+07 1.69E+06 1.21E+07 1.64E+06 1.15E+07 1.59E+06 1.07E+07 1.66E+06 1.14E+07 1.74E+06 1.14E+07 1.51E+06 1.04E+07 1.79E+06 1.07E+07 1.73E+06 1.16E+07 1.38E+06 1.03E+07 1.43E+06 9.34E+06 1.45E+06 1.05E+07 1.44E+06 8.69E+06 BETA-ALANINE 3.22E+06 3.55E+07 1.11E+07 6.75E+07 3.47E+06 3.36E+07 1.29E+07 6.75E+07 1.02E+07 6.19E+07 1.73E+07 8.3E+07 9.65E+06 5.97E+07 8.11E+06 5.54E+07 1.56E+06 2.54E+07 8.82E+06 5.47E+07 8.67E+06 5.76E+07 1.21E+07 6.89E+07 7.89E+06 5.17E+07 2.16E+06 3.01E+07 1.48E+07 8.41E+07 1.09E+07 6.41E+07 1.5E+06 2.4E+07 9.54E+06 5.82E+07 1.48E+07 8.21E+07 2.65E+06 3.31E+07 beta-Carboline 1.24E+05 2.74E+05 1.34E+05 2.94E+05 1.49E+05 3.09E+05 1.43E+05 3.02E+05 1.48E+05 3.01E+05 1.24E+05 3.03E+05 1.39E+05 3.13E+05 1.47E+05 3.25E+05 1.59E+05 2.6E+05 1.41E+05 3.27E+05 1.37E+05 3.13E+05 1.34E+05 3.27E+05 1.31E+05 2.94E+05 1.39E+05 3.23E+05 1.26E+05 2.88E+05 1.43E+05 1.29E+05 1.6E+05 2.49E+05 1.45E+05 2.92E+05 1.37E+05 3.03E+05 1.29E+05 2.87E+05 beta-Cotonefuran 4.19E+03 1.45E+03 4.38E+03 1.52E+03 4.42E+03 1.53E+03 0 0 0 0 0 0 5.8E+03 1.98E+03 5.36E+03 3.25E+03 4.99E+03 1.72E+03 4.66E+03 1.61E+03 5.24E+03 1.81E+03 4.79E+03 1.64E+03 4.05E+03 1.41E+03 4.5E+03 1.55E+03 4.92E+03 1.7E+03 4.55E+03 1.57E+03 4.2E+03 1.45E+03 0 0 3.82E+03 1.33E+03 4.01E+03 1.41E+03 Betamethasone 6.9E+05 2.54E+07 7.08E+05 2.58E+07 6.3E+05 2.6E+07 6.45E+05 2.49E+07 7.58E+05 1.65E+07 6.59E+05 1.59E+07 6.99E+05 1.67E+07 6.97E+05 2.73E+07 6.89E+05 2.53E+07 7.1E+05 2.59E+07 7.98E+05 1.63E+07 6.4E+05 2.67E+07 6.29E+05 2.82E+07 6.5E+05 2.7E+07 8.01E+05 2.59E+07 7.16E+05 1.64E+07 6.48E+05 1.5E+07 6.63E+05 1.57E+07 7.67E+05 1.58E+07 6.43E+05 1.63E+07 Bis(chloromethyl) ether 4.63E+05 5.81E+07 4.48E+05 5.83E+07 4.5E+05 5.63E+07 4.36E+05 5.2E+07 4.67E+05 6.02E+07 4.44E+05 5.93E+07 4.69E+05 3.23E+07 5.02E+05 1.38E+08 4.77E+05 2.68E+07 4.72E+05 2.97E+07 4.94E+05 5.15E+06 4.86E+05 2.97E+07 4.97E+05 6.35E+07 4.89E+05 6.26E+07 5.2E+05 6.41E+07 4.84E+05 6.01E+07 3.99E+05 4.84E+07 4.21E+05 3.2E+07 4.38E+05 5.72E+07 4.4E+05 3.16E+07 Boschnialactone 1.16E+05 6.6E+05 1.14E+05 2.92E+05 1.11E+05 6.38E+05 1.09E+05 5.77E+05 1.09E+05 5.97E+05 1.05E+05 5.04E+05 1.11E+05 4.6E+05 1.18E+05 8.48E+05 1.32E+05 3.7E+05 1.21E+05 5.27E+05 1.1E+05 3.52E+05 1.09E+05 6.28E+05 1.14E+05 6.47E+05 1.15E+05 6.82E+05 1.09E+05 6.41E+05 1.32E+05 6.59E+05 1.04E+05 3.92E+05 9.99E+04 5.11E+05 1.1E+05 2.68E+05 1.16E+05 3.82E+05 Botrydial 1.2E+06 3.59E+06 1.13E+06 3.57E+06 1.11E+06 3.44E+06 1.01E+06 3.42E+06 1.01E+06 3.44E+06 1.07E+06 3.47E+06 1.14E+06 3.46E+06 1.06E+06 3.44E+06 1.1E+06 3.47E+06 1.11E+06 3.46E+06 1.1E+06 3.14E+06 1.13E+06 3.47E+06 1.02E+06 3.38E+06 1.06E+06 3.33E+06 1.01E+06 3.03E+06 9.39E+05 3.29E+06 1.04E+06 3.51E+06 1.04E+06 3.45E+06 1.12E+06 3.57E+06 1.13E+06 3.5E+06 Buddledin A_1 6.5E+05 7.49E+06 6.74E+05 7.58E+06 6.71E+05 1.95E+06 7.25E+05 7.39E+06 6.94E+05 7.61E+06 6.47E+05 7.38E+06 6.58E+05 7.73E+06 7.02E+05 1.82E+06 6.81E+05 8.14E+06 6.32E+05 7.73E+06 6.56E+05 7.73E+06 7.39E+05 7.84E+06 6.92E+05 7.65E+06 7.29E+05 7.75E+06 6.78E+05 7.77E+06 6.4E+05 1.95E+06 7.14E+05 7.43E+06 7.33E+05 7.54E+06 6.89E+05 7.37E+06 6.89E+05 7.69E+06 Buddledin A_2 5.94E+05 1.64E+06 6.31E+05 1.72E+06 6.97E+05 7.57E+06 5.92E+05 1.63E+06 5.68E+05 1.62E+06 6.1E+05 1.66E+06 5.75E+05 1.63E+06 7.11E+05 8E+06 6.52E+05 1.69E+06 5.87E+05 1.59E+06 6.06E+05 1.62E+06 6.1E+05 1.64E+06 6.91E+05 1.79E+06 6.8E+05 1.68E+06 6.09E+05 1.65E+06 6.61E+05 7.9E+06 5.54E+05 1.55E+06 6.01E+05 1.56E+06 6.46E+05 1.57E+06 6.3E+05 1.67E+06 Bufanolide 0 0 0 0 2.22E+03 839 0 0 2.65E+03 1E+03 0 0 0 0 0 0 0 0 0 0 0 0 1.87E+03 716 0 0 2.33E+03 868 0 0 0 0 2.05E+03 789 2.14E+03 813 2.12E+03 824 0 0 Burseran 4.05E+04 7.18E+04 2.52E+04 3.97E+04 2.93E+04 5.35E+04 4.76E+04 1.05E+05 4.25E+04 1.01E+05 1.89E+04 3.06E+04 4.88E+04 1.13E+05 3.63E+04 8.24E+04 2.83E+04 6.47E+04 4.43E+04 1.09E+05 4.81E+04 1.08E+05 3.21E+04 6.94E+04 4.58E+04 9.06E+04 3.18E+04 4.57E+04 3.73E+04 6.19E+04 3.11E+04 2.07E+04 2.73E+04 5.51E+04 3.47E+04 7.23E+04 2.79E+04 2.84E+04 4.75E+04 7.75E+04 Butabarbital 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Butanal 1.48E+04 1.69E+04 1.54E+04 2.65E+04 1.87E+04 3.6E+04 2.43E+04 3.48E+04 2.04E+04 3.57E+04 2.6E+04 1.89E+04 2.09E+04 3.82E+04 1.96E+04 9.97E+03 1.92E+04 9.63E+03 1.85E+04 1.15E+04 1.67E+04 4.97E+03 2.16E+04 3.56E+04 2.13E+04 4.94E+04 7.48E+03 3.68E+03 1.6E+04 2.27E+04 2.21E+04 1.87E+04 2.37E+04 4.74E+04 1.64E+04 2.82E+04 1.42E+04 8.63E+03 1.68E+04 1.48E+04 Butanoic acid 3.52E+04 8.79E+03 4.64E+04 9.35E+04 3.82E+04 4.45E+04 4.27E+04 5.1E+04 4.25E+04 2.76E+04 4.55E+04 7.81E+04 4.42E+04 4.96E+04 3.65E+04 3.02E+04 3.7E+04 8.97E+04 4.19E+04 4.79E+04 3.95E+04 2.14E+04 4.62E+04 9.68E+03 3.14E+04 2.69E+04 4.03E+04 1.1E+05 3.56E+04 2.91E+04 3.9E+04 8.63E+03 4.7E+04 9.37E+04 4.29E+04 4.06E+04 5.19E+04 3.75E+04 5.03E+04 2.38E+04 Butoctamide hydrogen succinate 0 0 4.01E+03 1.39E+03 4.41E+03 1.54E+03 0 0 5.57E+03 1.92E+03 3.9E+03 2.72E+03 5.49E+03 1.9E+03 0 0 5.13E+03 1.77E+03 3.96E+03 1.37E+03 4.51E+03 1.55E+03 4.54E+03 1.57E+03 5.86E+03 2.03E+03 0 0 4E+03 1.39E+03 4.32E+03 1.49E+03 4.76E+03 1.65E+03 0 0 4.08E+03 1.42E+03 4.46E+03 769 Calcitriol 2.79E+03 1.03E+03 4.52E+03 7.7E+03 3.96E+03 1.47E+03 3.21E+03 1.17E+03 8.19E+03 4.96E+03 4.54E+03 4.69E+03 3.84E+03 2.74E+03 3.6E+03 1.34E+03 8.78E+03 5.44E+03 3.32E+03 2.15E+03 4.76E+03 6.62E+03 8.99E+03 2.98E+03 2.91E+03 2.01E+03 2.97E+03 1.08E+03 3.68E+03 3.9E+03 3.44E+03 3.81E+03 5.04E+03 2.2E+03 4.84E+03 1.75E+03 9.19E+03 7.84E+03 3.59E+03 3.47E+03 Calcium L-aspartate 1.37E+06 3.74E+07 1.37E+06 3.79E+08 1.33E+06 1.73E+08 1.31E+06 3.69E+08 1.31E+06 5.57E+07 1.34E+06 8.71E+07 1.42E+06 9.1E+07 1.35E+06 3.87E+08 1.37E+06 6.03E+07 1.37E+06 9.11E+07 1.41E+06 3.89E+08 1.4E+06 3.84E+08 1.4E+06 3.8E+08 1.29E+06 1.01E+08 1.38E+06 3.79E+08 1.23E+06 3.63E+08 1.41E+06 5.26E+06 1.36E+06 3.65E+08 1.32E+06 1.05E+08 1.35E+06 7.23E+07 Callytriol C 1.22E+06 3.69E+07 1.29E+06 3.67E+07 1.08E+06 3.57E+07 1.12E+06 3.49E+07 1.13E+06 3.69E+07 1.07E+06 3.67E+07 1.08E+06 3.84E+07 1.39E+06 3.91E+07 1.22E+06 3.8E+07 1.09E+06 3.84E+07 1.19E+06 3.85E+07 1.03E+06 3.73E+07 1.26E+06 3.92E+07 1.18E+06 3.93E+07 1.1E+06 3.96E+07 1.15E+06 3.95E+07 1.1E+06 3.49E+07 1.16E+06 3.4E+07 1.05E+06 3.4E+07 1.13E+06 3.66E+07 Calystegin B2 1.28E+06 3.67E+06 9.85E+05 2.91E+06 1.25E+06 3.71E+06 9.91E+05 2.91E+06 1.1E+06 3.37E+06 1.31E+06 4.01E+06 1.09E+06 4.04E+06 9.26E+05 1.95E+07 1.09E+06 3.08E+06 1.2E+06 3.48E+06 9.27E+05 2.76E+06 1.12E+06 3.21E+06 8.96E+05 2.68E+06 1.11E+06 1.36E+07 8.67E+05 2.64E+06 8.11E+05 2.39E+06 9.88E+05 3.01E+06 1.1E+06 3.04E+06 1.07E+06 3.37E+06 1.11E+06 3.2E+06 Chlorpromazine N-oxide_1 2.1E+06 2.87E+07 2.09E+06 3.89E+07 2.21E+06 4E+07 2.18E+06 4.05E+07 2.18E+06 3.84E+07 2.23E+06 4.01E+07 2.06E+06 2.83E+07 2.02E+06 4.29E+07 2.1E+06 3.81E+07 2.02E+06 2.73E+07 2.09E+06 2.86E+07 2.06E+06 3.83E+07 2.01E+06 3.63E+07 1.96E+06 2.71E+07 1.92E+06 3.57E+07 1.87E+06 3.55E+07 2.4E+06 3.18E+07 2.25E+06 4.13E+07 2.43E+06 4.19E+07 2.22E+06 4.05E+07 Chlorpromazine N-oxide_2 1.56E+07 8.16E+07 0 0 0 0 0 0 0 0 0 0 3.2E+06 4.83E+07 4.66E+03 1.6E+03 0 0 3.59E+06 4.74E+07 2.69E+06 4.69E+07 0 0 4.85E+03 1.67E+03 1.47E+07 7.01E+07 0 0 0 0 1.46E+07 7.58E+07 4.38E+03 1.53E+03 4.09E+03 1.41E+03 0 0 Cholesterol sulfate 1.67E+06 4.2E+07 1.72E+06 4.17E+07 1.7E+06 4.09E+07 1.58E+06 3.95E+07 1.81E+06 4.26E+07 1.75E+06 4.02E+07 1.85E+06 4.36E+07 1.74E+06 4.15E+07 1.82E+06 4.27E+07 1.86E+06 4.4E+07 1.76E+06 4.44E+07 1.74E+06 4.27E+07 1.84E+06 4.26E+07 1.95E+06 4.18E+07 1.84E+06 4.31E+07 1.84E+06 4.27E+07 1.15E+06 1.94E+07 1.59E+06 3.59E+07 1.65E+06 3.84E+07 1.69E+06 3.84E+07 Cinnamaldehyde 2.12E+04 1.38E+04 1.97E+04 2.14E+04 1.62E+04 5.86E+03 1.82E+04 4.38E+03 2.21E+04 6.96E+03 1.69E+04 1.01E+04 1.21E+04 7.6E+03 1.02E+04 1.74E+03 2.21E+04 1.43E+04 2.06E+04 1.13E+04 2.32E+04 8E+03 2.02E+04 2.46E+04 2.11E+04 3.6E+03 1.93E+04 8.96E+03 2.63E+04 4.52E+03 2.35E+04 3.13E+04 2.6E+04 3.03E+04 1.63E+04 5.59E+03 1.88E+04 8.43E+03 1.39E+04 2.39E+03 cis-1,2-Dihydro-3-ethylcatechol_1 4.02E+05 1.34E+06 3.78E+05 1.16E+06 3.88E+05 1.16E+06 3.95E+05 1.24E+06 4.06E+05 1.27E+06 3.62E+05 1.24E+06 5.1E+05 2.12E+07 5.08E+05 2.18E+07 4.14E+05 1.43E+06 5.04E+05 1.99E+07 4.8E+05 1.45E+06 4.46E+05 1.38E+06 5.03E+05 2.07E+07 4.67E+05 1.75E+06 4.86E+05 1.62E+06 5.27E+05 2.01E+07 4.03E+05 1.2E+06 3.92E+05 1.31E+06 4.55E+05 1.49E+06 3.6E+05 1.28E+06 cis-1,2-Dihydro-3-ethylcatechol_2 6.28E+04 5.15E+05 5.65E+04 3.83E+05 7.12E+04 2.63E+05 5.84E+04 2.32E+05 6.05E+04 1.94E+05 5.36E+04 1.16E+05 5.81E+04 4.46E+05 6.14E+04 3.94E+05 5.23E+04 1.7E+05 6.21E+04 3.34E+05 5.55E+04 5.63E+05 6.36E+04 4.82E+05 6.15E+04 1.66E+05 5.64E+04 2.66E+05 5.85E+04 3.2E+05 6.19E+04 2.45E+05 5.56E+04 1.06E+05 5.04E+04 3.09E+05 5.18E+04 1.54E+05 5.11E+04 1.94E+05 cis-2-Carboxycyclohexyl-acetic acid 2.56E+04 3.68E+04 2.86E+04 4.09E+04 2.32E+04 3.02E+04 2.68E+04 4.15E+04 3.91E+04 6.74E+04 1.99E+04 1.07E+04 2.17E+04 1.5E+04 3.48E+04 4.11E+04 3.32E+04 3.04E+04 2.93E+04 5.47E+04 2.66E+04 4.69E+04 3.31E+04 5.53E+04 3.64E+04 4.41E+04 2.85E+04 4.21E+04 2.58E+04 4.38E+04 3.69E+04 4.99E+04 2.36E+04 2.9E+04 3E+04 5.43E+04 2.14E+04 3.32E+04 2.29E+04 4.64E+04 CITRULLINE 2.8E+04 2.61E+04 3.27E+04 1.04E+04 2.34E+04 2.43E+04 3.5E+04 1.57E+04 4.72E+04 6.74E+04 2.78E+04 5.23E+04 3.91E+04 1.25E+04 5.16E+04 9.99E+04 4.72E+04 8.6E+04 6.18E+04 9.78E+04 3.53E+04 3.2E+04 3.38E+04 2.54E+04 4.56E+04 1.27E+04 5.29E+04 8.1E+04 3.87E+04 1.04E+04 3.6E+04 8.33E+03 2.34E+04 1.61E+04 2.34E+04 2.84E+04 2.52E+04 2.03E+04 1.59E+04 1.79E+04 Convallasaponin A 5.87E+05 5.04E+07 6.34E+05 4.88E+07 5.96E+05 4.74E+07 5.43E+05 4.52E+07 5.93E+05 5.01E+07 6.08E+05 4.65E+07 6.33E+05 5.52E+07 6.77E+05 5.74E+07 6.29E+05 5.42E+07 6.45E+05 5.64E+07 7.1E+05 5.59E+07 6.05E+05 5.34E+07 6.95E+05 5.86E+07 6.76E+05 5.76E+07 6.98E+05 5.94E+07 6.72E+05 5.89E+07 5.65E+05 4.12E+07 5.37E+05 4.24E+07 5.56E+05 4.36E+07 5.56E+05 4.46E+07 Creatine 4.09E+06 8.72E+06 3.51E+06 9.8E+06 3.41E+06 1.73E+07 3.44E+06 1.56E+07 3.63E+06 1.63E+07 4.63E+06 2.11E+07 3.58E+06 1.6E+07 3.34E+06 1.51E+07 3.62E+06 1.61E+07 3.91E+06 1.65E+07 3.29E+06 1.57E+07 3.84E+06 1.03E+07 3.23E+06 1.45E+07 3.85E+06 8.23E+06 3.1E+06 1.67E+07 3.24E+06 1.52E+07 3.75E+06 2.4E+07 2.48E+06 1.3E+07 4.03E+06 1.97E+07 4.13E+06 9.52E+06 CREATININE 1.93E+06 1.65E+07 1.72E+06 2.03E+07 1.86E+06 1.86E+07 1.63E+06 2.04E+07 1.61E+06 2.26E+07 1.61E+06 1.94E+07 1.7E+06 2.13E+07 1.29E+06 3.8E+06 1.81E+06 2.34E+07 1.58E+06 2.4E+07 1.53E+06 1.75E+07 1.61E+06 2.05E+07 1.51E+06 2.42E+07 1.71E+06 1.66E+07 1.5E+06 4.25E+06 1.6E+06 4.54E+06 1.64E+06 2.53E+07 1.4E+06 2.18E+07 1.46E+06 2.15E+07 1.87E+06 2.24E+07 Creatinine 1.79E+04 3.08E+03 2.09E+04 6.78E+03 1.97E+04 1.77E+04 1.74E+04 1.9E+04 1.68E+04 8.66E+03 1.76E+04 1.29E+04 1.8E+04 5.8E+03 2.05E+04 3.53E+03 2E+04 6.45E+03 1.64E+04 9.04E+03 1.76E+04 9.51E+03 2.17E+04 8.86E+03 2.12E+04 2.36E+04 2.47E+04 8.02E+03 2.16E+04 2.23E+04 1.79E+04 8.91E+03 2.18E+04 3.07E+04 2.06E+04 2.16E+04 2.03E+04 1.11E+04 2.43E+04 7.83E+03 Cuauhtemone 1.92E+04 1.69E+04 1.9E+04 1.5E+04 1.87E+04 2.5E+04 2.22E+04 1.63E+04 1.95E+04 1.42E+04 1.55E+04 1.16E+04 1.99E+04 1.41E+04 1.88E+04 3.52E+04 2.02E+04 1.54E+04 1.68E+04 2.93E+03 1.71E+04 2.22E+04 2.07E+04 3.05E+04 2.04E+04 2.2E+04 1.74E+04 2.05E+04 1.97E+04 1.23E+04 2.18E+04 2.51E+04 1.71E+04 4.37E+03 1.38E+04 1.92E+04 1.61E+04 5.69E+03 1.94E+04 4.43E+03 Cycasin 4.1E+04 1.27E+05 4.32E+04 1.14E+05 4.36E+04 9.05E+04 4.25E+04 1.16E+05 4.69E+04 1.33E+05 4.3E+04 1.04E+05 4.61E+04 1.17E+05 6.37E+04 1.42E+05 4.41E+04 7.74E+04 6.22E+04 1.25E+05 3.83E+04 1.08E+05 4.42E+04 1.14E+05 4.77E+04 1.23E+05 4.6E+04 1.28E+05 4.06E+04 1.31E+05 4.29E+04 1.24E+05 3.93E+04 9.97E+04 4.1E+04 9.79E+04 4.08E+04 1.1E+05 3.79E+04 3.89E+04 Cyclohex-2-enone 1.7E+04 1.39E+04 1.53E+04 9.49E+03 1.77E+04 9.17E+03 1.75E+04 6.25E+03 1.74E+04 1.69E+04 1.68E+04 1.01E+04 1.94E+04 6.6E+03 1.88E+04 8.96E+03 1.76E+04 3.01E+03 1.79E+04 6.39E+03 1.9E+04 1.47E+04 1.69E+04 7.81E+03 1.66E+04 9.49E+03 1.57E+04 2.72E+03 1.79E+04 1.95E+04 1.91E+04 4.05E+03 1.68E+04 1.77E+04 1.88E+04 9.59E+03 1.73E+04 1.39E+04 1.75E+04 5.84E+03 Cyclohexane-1,3-dione 5.62E+04 3.44E+05 5.88E+04 2.95E+05 5.91E+04 6.04E+05 5.95E+04 2.79E+05 5.79E+04 1.08E+05 5.67E+04 2.85E+05 6.52E+04 2.72E+05 5.38E+04 3.52E+05 5.49E+04 2.55E+05 7.45E+04 1.79E+05 5.95E+04 3.32E+05 7.07E+04 4.36E+05 7.75E+04 3.44E+05 6E+04 2.71E+05 6.6E+04 1.89E+05 6.35E+04 1.89E+05 6.36E+04 2.27E+05 6E+04 2.05E+05 5.63E+04 1.58E+05 5.25E+04 2.08E+05 Cyclohexylamine 1.09E+05 1.04E+06 9.14E+04 7.56E+05 9.91E+04 1.11E+06 9.78E+04 9.59E+04 9.67E+04 8.17E+05 9.51E+04 1.17E+06 9.9E+04 4.8E+05 1.04E+05 8.28E+05 9.98E+04 1.15E+06 1.03E+05 3.41E+05 9.78E+04 1.01E+06 9.85E+04 1.07E+06 1.13E+05 7.24E+05 1.12E+05 1.69E+06 9.25E+04 4.27E+05 1.06E+05 8.43E+05 8.87E+04 3.85E+05 8.86E+04 9.27E+05 9.24E+04 2.6E+05 9.74E+04 1.27E+06 Cyclopentanone 1.53E+04 1.95E+04 2.08E+04 5.36E+04 2.03E+04 2.88E+04 2.12E+04 2.97E+04 2.33E+04 1.3E+04 1.74E+04 2.69E+04 2.28E+04 3.95E+04 1.97E+04 1.77E+04 1.93E+04 5.82E+04 1.97E+04 3.46E+04 1.62E+04 2.07E+04 1.98E+04 1.62E+04 1.98E+04 2.15E+04 1.81E+04 3.13E+04 2.09E+04 5E+03 2.23E+04 5.3E+04 1.84E+04 5.4E+03 2.01E+04 2.72E+04 1.85E+04 2.99E+04 1.58E+04 1.39E+04 Cyclopiazonic acid 1.88E+05 4.3E+05 5.2E+05 1.3E+06 1.67E+05 4.18E+05 5.55E+05 1.33E+06 5.92E+05 1.53E+06 7.79E+05 1.97E+06 6.27E+05 1.61E+06 4.87E+05 1.26E+06 2.09E+05 4.92E+05 6.51E+05 1.57E+06 4.56E+05 1.15E+06 5.44E+05 1.36E+06 6.08E+05 1.52E+06 1.88E+05 4.06E+05 6.28E+05 1.47E+06 5.93E+05 1.4E+06 2.46E+05 5.88E+05 5.09E+05 1.33E+06 9.55E+05 2.19E+06 1.74E+05 4.21E+05 Cycluron 2.76E+04 6.05E+04 3.98E+04 4.36E+04 3.35E+04 3.68E+04 2.91E+04 5.75E+04 3.5E+04 9.47E+04 4.14E+04 3.02E+04 3.28E+04 5.84E+04 3.15E+04 5.3E+04 3.16E+04 8.01E+04 3.44E+04 9.21E+04 3.1E+04 8.42E+03 3.47E+04 6.17E+04 3.85E+04 8.87E+04 3.3E+04 3.19E+04 3.43E+04 8.55E+04 2.79E+04 6.19E+04 2.76E+04 5.19E+04 2.91E+04 2.21E+04 2.91E+04 3.86E+04 3.15E+04 3.71E+04 D-(-)-ARABINOSE 4.85E+05 2.03E+06 2.3E+05 5.02E+05 4.46E+05 1.7E+06 3.33E+05 7.42E+05 3.4E+05 6.88E+05 3.33E+05 7.27E+05 3.83E+05 7.96E+05 1.97E+05 4.67E+05 5.58E+05 1.59E+06 3.59E+05 7.52E+05 2.19E+05 4.16E+05 2.9E+05 6.41E+05 3.15E+05 5.99E+05 3.96E+05 1.35E+06 5.74E+05 1.42E+06 4.43E+05 9.12E+05 5.37E+05 1.57E+06 2.52E+05 5.78E+05 2.89E+05 6.6E+05 2.83E+05 1.25E+06 D-Arabinono-1,4-lactone 7.74E+04 1.99E+05 5.73E+04 1.75E+05 6.28E+04 2.06E+05 5.77E+04 1.7E+05 8.82E+04 2.17E+05 5.44E+04 1.58E+05 6.06E+04 2.09E+05 6.21E+04 1.59E+05 8.29E+04 2.52E+05 6.49E+04 1.89E+05 5.7E+04 1.47E+05 7.24E+04 2.02E+05 8.07E+04 2.5E+05 6.66E+04 1.99E+05 9.93E+04 2.25E+05 7.15E+04 1.47E+05 5.18E+04 1.11E+05 5.46E+04 1.66E+05 5.06E+04 1.24E+05 5.98E+04 1.28E+05 Debrisoquin_1 9.99E+05 2.08E+06 5.41E+06 1.18E+07 4.98E+06 8.45E+06 1.06E+06 2.42E+06 5.14E+06 1.24E+07 5.24E+06 2.72E+07 5.24E+06 1.14E+07 4.08E+06 1.08E+07 4.83E+06 3.03E+07 9.88E+05 2.54E+06 4.76E+06 3.16E+07 5.08E+06 1.25E+07 5.23E+06 3.43E+07 4.42E+06 2.68E+07 4.51E+06 3.06E+07 4.93E+06 1.07E+07 5.47E+06 1.28E+07 5.17E+06 4.04E+07 5.1E+06 1.15E+07 4.76E+06 2.64E+07 Debrisoquin_2 8.36E+03 2.88E+03 7.98E+03 4.39E+03 6.53E+03 2.27E+03 6.6E+03 3.77E+03 6.27E+03 2.15E+03 6.02E+03 2.09E+03 6.94E+03 2.38E+03 6.65E+03 2.29E+03 7.71E+03 1.34E+03 6.61E+03 2.28E+03 8.49E+03 2.89E+03 9.41E+03 9.21E+03 6.88E+03 2.38E+03 6.23E+03 2.13E+03 7.88E+03 2.73E+03 8.99E+03 3.03E+03 8.27E+03 2.86E+03 6.64E+03 2.31E+03 5.98E+03 2.06E+03 8.74E+03 3.02E+03 Deethylatrazine 1.62E+07 3.75E+07 1.58E+07 3.45E+07 1.53E+07 3.58E+07 1.47E+07 3.28E+07 1.52E+07 3.33E+07 1.62E+07 3.76E+07 1.53E+07 3.57E+07 1.26E+07 2.79E+07 1.46E+07 3.43E+07 1.59E+07 3.67E+07 1.39E+07 3.14E+07 1.58E+07 3.8E+07 1.47E+07 3.32E+07 1.4E+07 3.35E+07 1.4E+07 3.15E+07 1.42E+07 3.2E+07 1.55E+07 3.62E+07 1.42E+07 3.34E+07 1.42E+07 3.22E+07 1.63E+07 3.81E+07 Deidaclin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3.66E+03 1.29E+03 0 0 0 0 0 0 3.15E+03 1.13E+03 0 0 0 0 Devazepide 1.7E+05 3.99E+05 1.2E+05 2.78E+05 1.22E+05 2.94E+05 2.07E+05 4.68E+05 2.56E+05 5.56E+05 7.67E+04 1.82E+05 2.51E+05 6.44E+05 1.67E+05 4.24E+05 1.5E+05 3.65E+05 2.35E+05 6.17E+05 2.39E+05 5.83E+05 2.11E+05 4.58E+05 2.3E+05 5.36E+05 1.16E+05 3.14E+05 1.54E+05 3.76E+05 1.22E+05 3.11E+05 1.12E+05 2.98E+05 1.31E+05 3.31E+05 8.84E+04 2.04E+05 1.73E+05 4.21E+05 Diacetyl 6.19E+04 1.79E+05 5.57E+04 1.9E+05 5.99E+04 2.02E+05 5.67E+04 1.52E+05 5.98E+04 1.27E+05 6.34E+04 1.53E+05 5.42E+04 1.76E+05 4.95E+04 5.68E+04 5.71E+04 2E+05 5.46E+04 1.57E+05 4.83E+04 3.48E+04 5.89E+04 1.82E+05 5.99E+04 1.27E+05 6.29E+04 1.76E+05 5.62E+04 1.4E+05 5.74E+04 1.5E+05 6.43E+04 1.95E+05 5.84E+04 1.64E+05 6.11E+04 2.01E+05 6.29E+04 2.21E+05 Diallyl disulfide 1.23E+06 3.04E+08 1.29E+06 3.04E+08 1.24E+06 2.97E+08 1.25E+06 2.96E+08 1.25E+06 3.04E+08 1.24E+06 2.08E+08 1.29E+06 1.57E+08 1.28E+06 2.09E+08 1.3E+06 3.08E+08 1.27E+06 3.1E+08 1.28E+06 2.22E+08 1.34E+06 3.14E+08 1.29E+06 3.06E+08 1.26E+06 3.06E+08 1.27E+06 3E+08 1.25E+06 3.02E+08 1.36E+06 2.06E+08 1.28E+06 2.98E+08 1.27E+06 2.98E+08 1.22E+06 2.94E+08 Dichloromethane_1 3.04E+06 7.83E+08 3.14E+06 7.79E+08 2.29E+06 5.96E+07 3.16E+06 7.53E+08 3.19E+06 7.82E+08 2.94E+06 7.59E+08 3.24E+06 8.27E+08 2.47E+06 6.73E+07 3.37E+06 8.2E+08 3.26E+06 8.49E+08 3.26E+06 8.3E+08 2.73E+06 6.65E+07 3.34E+06 8.74E+08 2.6E+06 6.88E+07 3.56E+06 9.01E+08 3.55E+06 8.89E+08 2.68E+06 6.86E+08 2.89E+06 6.99E+08 2.9E+06 7.19E+08 2.28E+06 5.8E+07 Dichloromethane_2 3.04E+06 6.5E+08 3.14E+06 8.94E+08 3E+06 6.4E+08 3.16E+06 8.6E+08 3.19E+06 9.08E+08 2.94E+06 6.29E+08 3.24E+06 6.86E+08 3.32E+06 7.22E+08 3.37E+06 9.48E+08 3.26E+06 7.06E+08 3.26E+06 9.57E+08 3.24E+06 6.7E+08 3.34E+06 7.26E+08 3.2E+06 9.4E+07 3.56E+06 7.49E+08 3.55E+06 7.37E+08 2.68E+06 7.9E+08 2.89E+06 8.13E+08 2.9E+06 8.35E+08 3.05E+06 8.45E+08 Dichloromethane_3 3.04E+06 2.67E+08 3.01E+06 2.67E+08 3E+06 2.65E+08 2.88E+06 2.61E+08 3.03E+06 2.64E+08 2.94E+06 2.62E+08 3.24E+06 9.51E+08 3.32E+06 3.07E+08 3.24E+06 2.81E+08 3.26E+06 3E+08 3.2E+06 2.83E+08 3.24E+06 9.4E+08 3.34E+06 3.05E+08 3.37E+06 2.9E+08 3.56E+06 1.03E+09 3.55E+06 3.05E+08 2.63E+06 2.35E+08 2.7E+06 2.35E+08 2.75E+06 2.41E+08 2.89E+06 2.54E+08 DIETHANOLAMINE 1.48E+04 8.32E+03 2.34E+04 1.81E+04 1.3E+04 4.4E+03 1.41E+04 1.87E+04 1.59E+04 8.75E+03 2.07E+04 1.42E+04 1.86E+04 1.2E+04 4.7E+04 4.92E+04 1.79E+04 5.84E+03 1.4E+04 4.54E+03 5.25E+04 2.54E+04 1.65E+04 7.15E+03 7.14E+04 4.3E+04 1.05E+04 6.39E+03 1.83E+04 6.37E+03 1.14E+04 5.35E+03 7.87E+04 1.46E+05 5.16E+04 1.76E+04 1.14E+04 3.69E+03 1.21E+04 6.7E+03 Diethylene glycol 1.75E+05 4.28E+05 1.59E+05 3.7E+05 1.72E+05 3.93E+05 1.44E+05 3.63E+05 1.77E+05 3.95E+05 1.6E+05 3.99E+05 1.82E+05 4.18E+05 1.95E+05 4.52E+05 1.74E+05 4.2E+05 1.78E+05 4.09E+05 1.79E+05 3.98E+05 1.68E+05 3.83E+05 1.66E+05 4.13E+05 1.65E+05 4.39E+05 1.82E+05 4.66E+05 1.95E+05 4.85E+05 1.66E+05 4.22E+05 1.4E+05 3.32E+05 1.56E+05 3.98E+05 1.98E+05 4.43E+05 Digitalose 2.72E+05 2.44E+06 4.46E+05 3.46E+06 2.94E+05 1.22E+06 4.18E+05 3.8E+06 4.64E+05 4.18E+06 5.44E+05 5.25E+06 5.32E+05 4.9E+06 4.03E+05 1.57E+06 3.83E+05 2.3E+06 5.15E+05 4.8E+06 4.33E+05 3.63E+06 4.59E+05 2.69E+06 4.2E+05 3.5E+06 3.28E+05 2.43E+06 4.14E+05 3.83E+06 4.38E+05 3.48E+06 4.25E+05 3.85E+06 3.65E+05 3.05E+06 5.9E+05 5.61E+06 2.65E+05 2.36E+06 Dihydroanhydropodorhizol 6.69E+03 2.29E+03 7.59E+03 7.81E+03 1.2E+04 7.9E+03 7.78E+03 1.37E+03 6.71E+03 4.05E+03 5.12E+03 3.52E+03 5.55E+03 4.63E+03 7.23E+03 8.78E+03 7E+03 2.9E+03 7.34E+03 8.11E+03 8.96E+03 7.3E+03 7.06E+03 7.58E+03 7.23E+03 1.13E+04 6.15E+03 2.13E+03 6.24E+03 6.53E+03 7.89E+03 9E+03 4.28E+03 758 4.95E+03 3.43E+03 6.45E+03 7.05E+03 6.33E+03 7.55E+03 Dihydrosanguinarine 1.2E+06 9.15E+06 1.2E+06 9.28E+06 1.18E+06 9.49E+06 1.21E+06 9.21E+06 1.18E+06 9.1E+06 1.25E+06 9.31E+06 1.11E+06 8.85E+06 1.09E+06 8.65E+06 1.18E+06 8.64E+06 1.18E+06 8.88E+06 1.21E+06 8.8E+06 1.12E+06 8.79E+06 1.1E+06 8.6E+06 1.11E+06 8.57E+06 1.08E+06 8.41E+06 1.05E+06 8.44E+06 1.21E+06 9.31E+06 1.2E+06 9.17E+06 1.25E+06 9.24E+06 1.08E+06 8.71E+06 Diisopropyl phthalate 5.17E+04 1.23E+05 4.49E+04 2.45E+04 5.08E+04 1.36E+05 4.66E+04 6.78E+04 5.2E+04 1.09E+05 4.53E+04 3.78E+04 4.56E+04 5.34E+04 4.49E+04 3.04E+04 6.31E+04 1.75E+05 6.22E+04 3.35E+04 5.15E+04 1.82E+05 5.12E+04 1.15E+05 5.76E+04 6.45E+04 5.79E+04 1.23E+05 5.2E+04 9.06E+04 4.93E+04 1.55E+05 5.2E+04 6.67E+04 4.47E+04 4.5E+04 5.36E+04 5.82E+04 4.26E+04 1.04E+05 Dikegulac 1.45E+05 2.29E+06 1.55E+05 1.36E+06 1.48E+05 1.89E+06 1.52E+05 7.9E+05 1.58E+05 7.8E+05 1.44E+05 2.18E+06 1.62E+05 1.34E+06 1.5E+05 2.71E+06 1.49E+05 1.13E+06 1.57E+05 1.63E+06 1.68E+05 2.27E+06 1.55E+05 1.05E+06 1.58E+05 1.53E+06 1.51E+05 2.11E+06 1.76E+05 1.12E+06 1.55E+05 6.93E+05 1.38E+05 2.03E+06 1.47E+05 1.52E+06 1.53E+05 1.15E+06 1.73E+05 4.27E+05 Dimetacrine tartrate 3.27E+04 3.93E+04 2.18E+04 3.45E+04 2.1E+04 3.42E+04 3.76E+04 8.05E+04 4.36E+04 9.08E+04 1.94E+04 6.57E+03 4.86E+04 1.19E+05 3.94E+04 8.28E+04 2.62E+04 5.54E+04 6.37E+04 1.19E+05 5.24E+04 1.13E+05 3.56E+04 8.28E+04 4.83E+04 1.1E+05 2.56E+04 5.95E+04 3.56E+04 6.7E+04 2.3E+04 5.01E+04 1.9E+04 3.52E+04 2.17E+04 5.13E+04 1.78E+04 2.56E+04 3.37E+04 7.2E+04 Dimethylbenzimidazole 0 0 3.53E+03 1.25E+03 3.48E+03 1.27E+03 4.49E+03 1.62E+03 6.13E+03 3.79E+03 4.07E+03 1.45E+03 0 0 0 0 0 0 0 0 0 0 3.93E+03 2.7E+03 4.86E+03 1.74E+03 0 0 0 0 0 0 4.14E+03 1.5E+03 3.75E+03 1.34E+03 4.72E+03 1.68E+03 4.65E+03 1.65E+03 Dinotefuran 3.29E+05 1.14E+06 2.68E+05 9.99E+05 4.18E+05 1.63E+06 4.11E+05 1.53E+06 3.18E+05 1.25E+06 2.96E+05 1.14E+06 3.12E+05 1.33E+06 2.59E+05 8.16E+05 4.41E+05 1.7E+06 2.91E+05 1.13E+06 1.89E+05 7.03E+05 3.47E+05 1.19E+06 2.36E+05 9.25E+05 3.26E+05 1.12E+06 3.39E+05 1.28E+06 3.33E+05 1.27E+06 4.71E+05 1.81E+06 2.44E+05 7.64E+05 2.54E+05 9.29E+05 2.14E+05 7.61E+05 Dipropyl disulfide 3.23E+05 8.76E+05 2.74E+05 6.92E+05 2.25E+05 5.27E+05 2.29E+05 5.91E+05 2.03E+05 5.37E+05 1.95E+05 5.59E+05 2.56E+05 6.52E+05 1.44E+05 4.06E+05 3.42E+04 6.81E+04 1.4E+05 3.29E+05 2.66E+05 7.32E+05 2.51E+05 6.48E+05 2.53E+05 6.21E+05 1.32E+05 3.39E+05 1.93E+05 5.34E+05 1.1E+05 2.91E+05 2.95E+04 5.09E+04 4.94E+05 1.31E+06 1.16E+05 2.8E+05 5.53E+05 1.37E+06 Disulfiram 5.99E+05 3.98E+06 1.78E+05 1.04E+06 6.31E+05 3.98E+06 1.85E+05 9.94E+05 3.78E+05 2.3E+06 2.45E+05 1.51E+06 4.5E+05 2.91E+06 2.72E+05 1.72E+06 5.34E+05 3.49E+06 4.57E+05 2.65E+06 4.12E+05 2.18E+06 2.02E+05 1.05E+06 4.32E+05 2.47E+06 4.99E+05 3.04E+06 7.61E+04 3.29E+05 1.71E+05 9.53E+05 6.16E+05 3.78E+06 7.05E+04 3.32E+05 2.44E+05 1.32E+06 6.27E+05 3.75E+06 D-MANNOSAMINE 8.28E+04 2.41E+05 3.04E+05 8.52E+05 1.76E+05 5.57E+05 3.08E+05 3.43E+05 3.9E+05 9.99E+05 2.99E+05 9.75E+05 3.08E+05 9.59E+05 2.74E+05 8.74E+05 3.05E+05 9.61E+05 3.41E+05 1.05E+06 3.33E+05 9.03E+05 3.36E+05 1E+06 4.09E+05 1.07E+06 1.72E+05 5.72E+05 2.71E+05 8.81E+05 2.95E+05 9.29E+05 3.92E+05 1.24E+06 3.11E+05 9.42E+05 2.79E+05 1.02E+06 8.84E+04 2.71E+05 Dodecanamide 1.29E+07 1.92E+08 1.22E+07 1.9E+08 1.14E+07 1.9E+08 1.24E+07 1.87E+08 1.25E+07 1.91E+08 1.24E+07 1.89E+08 1.24E+07 1.92E+08 1.2E+07 1.93E+08 1.24E+07 1.92E+08 1.29E+07 1.93E+08 1.24E+07 1.94E+08 1.21E+07 1.92E+08 1.25E+07 1.92E+08 1.24E+07 1.93E+08 1.3E+07 1.9E+08 1.27E+07 1.9E+08 1.2E+07 1.82E+08 1.15E+07 1.83E+08 1.23E+07 1.85E+08 1.17E+07 1.87E+08 Dodemorph 1.79E+06 1.91E+07 1.74E+06 1.89E+07 1.91E+06 1.87E+07 1.77E+06 1.89E+07 1.66E+06 1.88E+07 1.78E+06 1.89E+07 1.68E+06 1.88E+07 1.65E+06 1.89E+07 1.73E+06 1.89E+07 1.74E+06 1.89E+07 1.73E+06 1.89E+07 1.63E+06 1.88E+07 1.73E+06 1.88E+07 1.75E+06 1.88E+07 1.81E+06 1.89E+07 1.71E+06 1.92E+07 1.82E+06 1.85E+07 1.78E+06 1.88E+07 1.7E+06 1.86E+07 1.71E+06 1.89E+07 Dopaquinone 3.16E+03 1.13E+03 0 0 0 0 0 0 0 0 0 0 0 0 3.69E+03 1.3E+03 0 0 0 0 0 0 0 0 0 0 2.89E+03 1.02E+03 3.16E+03 1.12E+03 0 0 3.53E+03 1.26E+03 3.22E+03 1.15E+03 0 0 0 0 D-Xylonate 2.87E+06 6.01E+06 2.83E+06 5.73E+06 2.84E+06 6.1E+06 2.82E+06 5.7E+06 3.05E+06 6.16E+06 3E+06 6.13E+06 3E+06 6.13E+06 2.48E+06 5.02E+06 3.11E+06 6.35E+06 3.03E+06 6.39E+06 2.83E+06 5.46E+06 2.96E+06 8.84E+06 3.04E+06 6.08E+06 2.69E+06 5.63E+06 2.61E+06 5.51E+06 2.98E+06 5.85E+06 3.25E+06 6.96E+06 2.56E+06 5.4E+06 2.85E+06 5.82E+06 2.55E+06 5.48E+06 Elaeokanine C 1.03E+05 2.15E+05 1.05E+05 1.58E+05 9.12E+04 2.11E+05 9.51E+04 2.22E+05 1.13E+05 2.24E+05 1.11E+05 2.25E+05 1.11E+05 2.44E+05 1.19E+05 2.33E+05 1.15E+05 2.61E+05 1.16E+05 2.33E+05 9.83E+04 1.95E+05 1.02E+05 2.35E+05 1.09E+05 2.18E+05 9.94E+04 2.36E+05 1.12E+05 2.47E+05 1.25E+05 2.45E+05 1.01E+05 2.05E+05 9.55E+04 1.95E+05 1.07E+05 2.34E+05 9.43E+04 2.28E+05 Eprosartan 6.57E+03 2.73E+03 1.68E+04 2.75E+04 3.36E+03 1.19E+03 2.26E+04 4.15E+04 1.98E+04 1.64E+04 5.05E+03 913 1.39E+04 2.07E+04 1.38E+04 7.36E+03 4.2E+03 1.5E+03 1.53E+04 2.69E+04 1.19E+04 1.01E+04 2.69E+04 1.15E+04 1.64E+04 2.71E+04 4.39E+03 786 6.57E+03 5.27E+03 1.48E+04 1.23E+04 1.13E+04 4.58E+03 4.02E+03 1.43E+03 4.34E+03 3.56E+03 4.68E+03 2.94E+03 epsilon-Caprolactam 4.39E+05 2.3E+06 4.17E+05 2.8E+06 4.45E+05 2.89E+06 4.03E+05 2.84E+06 5.08E+05 4.04E+07 4.26E+05 4.24E+06 3.79E+05 2.28E+06 4.88E+05 3.03E+06 5E+05 2.74E+06 4.19E+05 2.36E+06 4.39E+05 3.8E+06 5.46E+05 4.08E+07 5.02E+05 4.12E+07 4.25E+05 3.64E+06 4.49E+05 3.14E+06 5.65E+05 4.25E+07 4.31E+05 2.06E+06 3.77E+05 1.75E+06 3.39E+05 2.28E+06 4.29E+05 4.6E+06 Ethephon 2.99E+06 5.33E+08 2.92E+06 5.27E+08 2.69E+06 5.14E+08 2.6E+06 1.32E+08 3.07E+06 5.42E+08 2.61E+06 5.11E+08 3.83E+06 6.05E+08 3.87E+06 1.5E+08 3.52E+06 5.85E+08 3.98E+06 6.21E+08 3.74E+06 6.19E+08 3.73E+06 3.54E+07 4.43E+06 5.74E+07 4.33E+06 6.49E+08 4.56E+06 6.97E+08 4.49E+06 6.8E+08 2.34E+06 5.12E+08 2.39E+06 5.03E+08 2.35E+06 4.99E+08 2.47E+06 4.99E+08 Ethosuximide 4.14E+04 7.92E+04 3.38E+04 6.39E+04 5.31E+04 9.77E+04 5.34E+04 1.27E+05 5.06E+04 7.37E+04 5.45E+04 8.91E+04 6.03E+04 1.3E+05 3.71E+04 4.14E+04 6.94E+04 1.43E+05 3.69E+04 9.11E+04 3E+04 3.03E+04 4.43E+04 5.65E+04 3.61E+04 6.32E+04 4.17E+04 7.62E+04 4.83E+04 9.26E+04 5E+04 9.25E+04 7.13E+04 8.07E+04 3.95E+04 7.83E+04 3.5E+04 7.33E+04 3.47E+04 4.55E+04 Ethyl 3-(N-butylacetamido)propionate 2.23E+04 9.81E+03 1.87E+04 1.88E+04 1.58E+04 1.1E+04 1.99E+04 3E+04 1.8E+04 2E+04 2.29E+04 2.79E+04 2.24E+04 1.14E+04 2.95E+04 9.14E+03 2.28E+04 3.63E+04 2.31E+04 1.77E+04 2.06E+04 3.54E+03 1.86E+04 4.41E+04 2.31E+04 1.17E+04 2.21E+04 8.03E+03 2.43E+04 2.55E+04 2.13E+04 5.24E+03 1.83E+04 2.74E+04 1.98E+04 1.9E+04 2.32E+04 1.53E+04 2.18E+04 2.11E+04 Ethyl tiglate 3.65E+04 1.28E+05 3.85E+04 1.76E+05 3.88E+04 5.46E+04 4.21E+04 4.28E+04 4.43E+04 3.44E+04 4.2E+04 3.35E+04 4.34E+04 3.75E+04 5.05E+04 9.69E+04 4.45E+04 1.09E+04 3.78E+04 2.31E+05 3.98E+04 8.19E+04 3.94E+04 1.31E+05 4.51E+04 6.64E+04 3.62E+04 1.39E+05 4.07E+04 1.2E+05 4.38E+04 6.48E+04 3.86E+04 1.52E+05 3.29E+04 5.51E+04 3.7E+04 1.87E+05 4.29E+04 3.3E+04 Euxanthone 8.55E+05 1.95E+07 8.38E+05 1.92E+07 8.67E+05 1.91E+07 8.33E+05 2.07E+07 8.36E+05 1.99E+07 8.53E+05 1.87E+07 8.66E+05 2.04E+07 8.88E+05 2.01E+07 8.56E+05 6.65E+06 8.45E+05 2E+07 8.43E+05 2.2E+07 8.69E+05 2.1E+07 8.69E+05 2.02E+07 8.18E+05 1.94E+07 8.52E+05 2.19E+07 8.7E+05 2.06E+07 8.26E+05 1.88E+07 8.56E+05 1.81E+07 8.67E+05 2.02E+07 8.63E+05 2.02E+07 Fagomine 9.33E+04 2.5E+05 8.3E+04 1.74E+05 9.26E+04 2.4E+05 7.58E+04 2.66E+05 1.01E+05 2.51E+05 9.8E+04 2.06E+05 9.42E+04 1.97E+05 6.62E+04 1.16E+05 9.23E+04 2.71E+05 8.28E+04 2.38E+05 7.78E+04 2.37E+05 8.66E+04 2.79E+05 7.48E+04 2.4E+05 8.43E+04 2.51E+05 9.04E+04 2.36E+05 8.41E+04 2.45E+05 9.94E+04 1.5E+05 8.22E+04 1.51E+05 7.5E+04 1.61E+05 9.12E+04 2.65E+05 Ferimzone 1.14E+05 2.83E+05 1.14E+05 2.98E+05 1.14E+05 2.96E+05 1.12E+05 3E+05 1.12E+05 2.85E+05 1.15E+05 2.89E+05 1.18E+05 3.19E+05 1.09E+05 2.97E+05 1.15E+05 3.05E+05 1.17E+05 3.06E+05 1.18E+05 3.13E+05 1.1E+05 2.9E+05 1.21E+05 3E+05 1.14E+05 2.95E+05 1.05E+05 2.93E+05 1.13E+05 3.02E+05 1.24E+05 2.95E+05 1.06E+05 2.55E+05 1.22E+05 2.89E+05 1.23E+05 3.04E+05 Flumioxazin 4.46E+05 1.83E+06 1.68E+06 5.99E+06 3.23E+05 7.23E+05 1.53E+06 5.61E+06 1.47E+06 5.37E+06 2.09E+06 8.02E+06 1.5E+06 5.53E+06 1.15E+06 4.39E+06 2.02E+05 8.45E+05 1.39E+06 5.71E+06 1.27E+06 4.99E+06 1.63E+06 6.24E+06 1.44E+06 5.63E+06 1.91E+05 4.66E+05 1.27E+06 4.9E+06 1.26E+06 4.87E+06 2.5E+05 1.1E+06 1.9E+06 6.67E+06 1.83E+06 6.49E+06 4.26E+05 1.72E+06 Fluoroacetate 4.96E+06 1.49E+09 5.11E+06 1.74E+08 5.04E+06 1.73E+08 5.25E+06 1.69E+08 5.2E+06 1.77E+08 5.18E+06 1.66E+08 5.26E+06 1.57E+09 5.08E+06 1.82E+08 5.37E+06 1.56E+09 5.21E+06 1.83E+08 5.41E+06 1.81E+08 5.15E+06 1.55E+09 5.37E+06 1.6E+09 5.24E+06 1.58E+09 5.3E+06 1.6E+09 5.42E+06 1.83E+08 5.16E+06 1.34E+09 4.89E+06 1.37E+09 5.08E+06 1.63E+08 4.92E+06 1.67E+08 Fomepizole 8.44E+06 1.59E+09 8.35E+06 1.59E+09 8.67E+06 1.58E+09 7.87E+06 1.55E+09 8.96E+06 1.59E+09 8.36E+06 1.57E+09 9.05E+06 1.61E+09 8.32E+06 1.57E+09 8.18E+06 1.59E+09 8.42E+06 1.59E+09 8.49E+06 1.6E+09 8.43E+06 1.59E+09 8.39E+06 1.53E+09 9.31E+06 1.56E+09 8.79E+06 1.49E+09 8.98E+06 1.51E+09 7.82E+06 1.59E+09 8.74E+06 1.58E+09 7.94E+06 1.57E+09 8.16E+06 1.56E+09 Fosetyl 6.41E+06 1.69E+09 6.65E+06 1.7E+09 6.79E+06 1.68E+09 7.36E+06 1.69E+09 6.22E+06 1.67E+09 6.94E+06 1.69E+09 5.55E+06 1.63E+09 5.17E+06 1.62E+09 5.64E+06 1.64E+09 5.26E+06 1.63E+09 5.49E+06 1.64E+09 5.88E+06 1.65E+09 4.61E+06 1.59E+09 4.95E+06 1.6E+09 4.6E+06 1.62E+09 4.8E+06 1.6E+09 7.99E+06 1.71E+09 8.31E+06 1.71E+09 8.05E+06 1.73E+09 7.73E+06 1.71E+09 Furfural diethyl acetal 3.91E+05 8.68E+05 3.76E+05 9.2E+05 3.23E+05 8.65E+05 3.49E+05 8.25E+05 3.73E+05 8.97E+05 3.66E+05 8.82E+05 3.62E+05 8.81E+05 3.47E+05 8.53E+05 3.32E+05 8.69E+05 3.38E+05 8.72E+05 3.53E+05 9.12E+05 4.25E+05 9.8E+05 3.43E+05 8.88E+05 3.49E+05 8.35E+05 3.68E+05 8.55E+05 3.86E+05 8.71E+05 3.28E+05 8.39E+05 2.95E+05 5.48E+05 3.58E+05 9.31E+05 3.62E+05 8.78E+05 gamma-Coniceine 6.38E+05 1.75E+07 6.25E+05 1.78E+07 5.83E+05 2.03E+07 6.28E+05 2.23E+07 6.68E+05 1.98E+07 6.19E+05 1.93E+07 6.42E+05 1.78E+07 6.42E+05 1.79E+07 6.98E+05 1.91E+07 6.45E+05 1.8E+07 6.72E+05 1.74E+07 6.76E+05 1.92E+07 6.98E+05 2.21E+07 6.31E+05 1.9E+07 6.77E+05 2.14E+07 6.8E+05 1.91E+07 5.54E+05 1.7E+07 5.92E+05 1.87E+07 5.99E+05 2.15E+07 6.49E+05 1.96E+07 gamma-Glutamyl-beta-aminopropiononitrile 2.83E+03 1.03E+03 9.02E+05 2.67E+06 1.82E+04 4.98E+03 8.85E+05 2.49E+06 1.18E+06 3.25E+06 9.42E+05 2.56E+06 1.12E+06 3.24E+06 9.52E+05 2.8E+06 4.18E+03 1.48E+03 1.12E+06 3.4E+06 1.14E+06 3.04E+06 1.03E+06 2.66E+06 1.06E+06 3E+06 7.56E+03 2.55E+03 5.31E+05 1.54E+06 8.63E+05 2.53E+06 0 0 5.06E+05 1.39E+06 7.78E+05 2.3E+06 0 0 Gentamicin C1a 3.9E+05 8.6E+06 4E+05 9.9E+06 3.93E+05 1.01E+07 3.55E+05 6.06E+06 3.98E+05 1.01E+07 3.85E+05 9.64E+06 4.08E+05 1.08E+07 4.61E+05 3.61E+06 4.51E+05 1.09E+07 4.62E+05 7.67E+06 4.39E+05 1.77E+06 4.13E+05 8.67E+06 4.25E+05 1.14E+07 4.31E+05 3.09E+06 4.65E+05 1.13E+07 4.51E+05 9.39E+06 3.65E+05 7.53E+06 3.64E+05 9.23E+06 3.98E+05 9.51E+06 3.5E+05 7.89E+06 Gibberellin A12 aldehyde 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3.97E+03 1.38E+03 4.56E+03 1.57E+03 0 0 0 0 0 0 0 0 0 0 5.45E+03 1.87E+03 4.85E+03 1.67E+03 0 0 0 0 0 0 0 0 Glutathione 6.23E+06 3.03E+07 6.48E+06 3.15E+07 8.05E+06 3.45E+07 7.07E+06 3.46E+07 7.42E+06 3.2E+07 7.08E+06 3.23E+07 5.73E+06 3.05E+07 6.69E+06 3.23E+07 6.07E+06 3.25E+07 6.11E+06 3.2E+07 6.29E+06 3.13E+07 5.9E+06 3.01E+07 6.24E+06 3.05E+07 5.81E+06 3.01E+07 7.06E+06 3.06E+07 5.71E+06 2.94E+07 7.33E+06 3.37E+07 8.4E+06 3.48E+07 6.59E+06 3.18E+07 6.41E+06 3.23E+07 GLYCINE 1.68E+06 8.7E+06 1.63E+06 8.15E+06 1.4E+06 8.44E+06 1.8E+06 8.04E+06 1.31E+06 8.03E+06 1.51E+06 8.19E+06 1.42E+06 7.66E+06 1.45E+06 7.3E+06 1.28E+06 7.43E+06 1.4E+06 7.62E+06 1.51E+06 6.8E+06 1.29E+06 7.72E+06 1.45E+06 7.62E+06 1.36E+06 6.91E+06 1.3E+06 7.47E+06 1.32E+06 7.89E+06 1.58E+06 8.65E+06 1.63E+06 8.15E+06 1.55E+06 7.97E+06 1.63E+06 8.48E+06 Goniothalenol 1.27E+06 3.65E+06 1.33E+06 3.36E+06 1.37E+06 3.35E+06 1.23E+06 3.18E+06 1.3E+06 3.55E+06 1.36E+06 3.36E+06 1.44E+06 4.07E+06 1.76E+06 4.52E+06 1.54E+06 4E+06 1.59E+06 4.12E+06 1.56E+06 4.09E+06 1.47E+06 3.98E+06 1.78E+06 4.38E+06 1.78E+06 4.69E+06 1.74E+06 4.6E+06 1.69E+06 4.59E+06 1.14E+06 2.91E+06 1.13E+06 3.05E+06 1.26E+06 3.32E+06 1.28E+06 3.36E+06 Graphinone 3.15E+04 1.01E+04 2.33E+04 1.76E+04 2.57E+04 1.71E+04 2.48E+04 2.92E+04 2.78E+04 5.44E+04 2.3E+04 1.36E+04 3.08E+04 2.75E+04 2.63E+04 3.3E+04 3.41E+04 4.33E+04 2.24E+04 3.43E+04 1.94E+04 3.25E+04 2.74E+04 6.14E+04 2.27E+04 2.63E+04 2.48E+04 2.44E+04 2.14E+04 4.14E+04 3.08E+04 2.22E+04 2.33E+04 5.24E+03 2.33E+04 3.9E+04 2.79E+04 5.04E+04 2.86E+04 6.25E+03 Guanfacine 7.05E+05 1.98E+06 5.95E+05 1.87E+06 7.01E+05 2.07E+06 6.22E+05 1.81E+06 5.94E+05 1.89E+06 6.35E+05 1.82E+06 6.97E+05 1.8E+06 6.23E+05 1.52E+06 6.63E+05 1.78E+06 6.27E+05 1.79E+06 5.21E+05 1.55E+06 6.63E+05 1.9E+06 6.02E+05 1.55E+06 6.39E+05 1.64E+06 5.55E+05 1.6E+06 5.23E+05 1.55E+06 7.38E+05 2.12E+06 6.39E+05 1.78E+06 5.92E+05 1.75E+06 7.64E+05 2.1E+06 Guanidinoacetate 4.37E+05 4E+05 4.17E+05 2.88E+05 3.99E+05 7.59E+05 4.33E+05 3.34E+05 4.75E+05 4.8E+05 4.2E+05 7.44E+05 4.24E+05 2.42E+05 3.58E+05 7.69E+04 3.75E+05 7.5E+05 3.79E+05 9.23E+04 3.34E+05 6.93E+05 6.01E+05 5.08E+05 3.43E+05 2.27E+05 3.9E+05 6.33E+04 3.33E+05 3.75E+05 4.48E+05 7.42E+05 4.3E+05 1.29E+05 3.7E+05 2.31E+05 3.88E+05 6.5E+05 3.61E+05 1.74E+05 GUANINE 3.06E+05 7.51E+05 2.3E+05 5.75E+05 1.78E+05 4.33E+05 2.15E+05 5.05E+05 1.74E+05 4.26E+05 1.87E+05 4.74E+05 2.03E+05 5.19E+05 1.32E+05 3.38E+05 1.09E+05 3.61E+04 1.08E+05 2.7E+05 2.57E+05 6.2E+05 2.15E+05 5.62E+05 2.19E+05 5.27E+05 1.17E+05 2.84E+05 1.86E+05 4.45E+05 1.32E+05 9.04E+04 1.1E+05 3.6E+04 4.16E+05 1.08E+06 1.19E+05 3.95E+04 4.33E+05 1.14E+06 Gyromitrin 1.73E+07 2.41E+09 1.64E+07 2.37E+09 1.66E+07 2.32E+09 1.66E+07 2.29E+09 1.67E+07 2.39E+09 1.75E+07 2.31E+09 1.83E+07 2.54E+09 1.91E+07 2.62E+09 1.87E+07 2.52E+09 1.84E+07 2.58E+09 1.84E+07 2.56E+09 1.74E+07 2.52E+09 1.89E+07 2.65E+09 1.89E+07 2.67E+09 1.91E+07 2.7E+09 1.95E+07 2.68E+09 1.58E+07 2.17E+09 1.66E+07 2.22E+09 1.61E+07 2.24E+09 1.64E+07 2.28E+09 Harmalol 5.61E+06 1.61E+07 4.44E+06 1.29E+07 5.54E+06 1.65E+07 4.28E+06 1.28E+07 5.05E+06 1.46E+07 5.89E+06 1.75E+07 4.91E+06 1.46E+07 4.08E+06 1.13E+07 4.9E+06 1.34E+07 5.59E+06 1.53E+07 4.2E+06 1.2E+07 4.95E+06 1.42E+07 3.97E+06 1.17E+07 5.2E+06 1.37E+07 3.94E+06 1.12E+07 3.47E+06 1.03E+07 5.06E+06 1.45E+07 4.86E+06 1.41E+07 5.32E+06 1.53E+07 5.02E+06 1.47E+07 Hercynine 1.41E+05 2.99E+05 1.55E+05 3.58E+05 1.42E+05 3.75E+05 1.29E+05 2.89E+05 1.39E+05 3.8E+05 1.32E+05 3.81E+05 1.46E+05 3.86E+05 1.28E+05 3.55E+05 1.37E+05 2.81E+05 1.42E+05 3.56E+05 1.34E+05 3.68E+05 1.42E+05 3.92E+05 1.47E+05 3.83E+05 1.44E+05 3.36E+05 1.28E+05 3.57E+05 1.54E+05 3.66E+05 1.18E+05 3.47E+05 1.34E+05 2.77E+05 1.23E+05 3.49E+05 1.23E+05 3.2E+05 Hetacillin 0 0 0 0 0 0 3.4E+03 1.19E+03 0 0 0 0 0 0 0 0 0 0 0 0 4.94E+03 1.71E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Heteropyrithiamine 6.99E+03 4.05E+03 7.41E+03 3.5E+03 1.52E+04 3.55E+03 1.62E+04 1.33E+04 9.04E+03 7.7E+03 1.53E+04 9.88E+03 9.21E+03 7.54E+03 6.66E+03 2.28E+03 7.86E+03 2.72E+03 1.61E+04 8.05E+03 7.54E+03 5.08E+03 1.7E+04 7.58E+03 2.26E+04 2.6E+04 7.53E+03 1.16E+04 9.58E+03 7.04E+03 1.6E+04 9.2E+03 1.42E+04 6.46E+03 1.55E+04 1.71E+04 7.65E+03 5.94E+03 6.68E+03 2.29E+03 Hexylamine 3.8E+06 1.98E+08 3.28E+06 1.86E+08 3.46E+06 1.91E+08 3.84E+06 1.92E+08 3.9E+06 1.95E+08 3.48E+06 1.9E+08 3.33E+06 1.95E+08 4.26E+06 2E+08 4.48E+06 2.06E+08 3.5E+06 1.95E+08 4.14E+06 2E+08 4.17E+06 1.99E+08 4.17E+06 1.98E+08 3.79E+06 1.98E+08 5.51E+06 2.19E+08 5.47E+06 2.12E+08 3.14E+06 1.79E+08 3.63E+06 1.86E+08 3.38E+06 1.86E+08 3.41E+06 1.86E+08 Hippurate 1.51E+05 1.85E+05 1.56E+05 2.75E+05 1.59E+05 2.78E+05 1.33E+05 2.46E+05 1.5E+05 2.64E+05 1.45E+05 2.96E+05 1.87E+05 2.89E+05 1.18E+05 2.04E+05 1.48E+05 2.62E+05 1.38E+05 2.69E+05 1.53E+05 2.4E+05 1.62E+05 3.05E+05 1.56E+05 2.6E+05 1.39E+05 2.41E+05 1.4E+05 2.28E+05 1.59E+05 1.88E+05 1.55E+05 3.2E+05 1.42E+05 2.48E+05 1.3E+05 2.76E+05 1.42E+05 2.34E+05 Histamine 2.58E+05 4.58E+05 2.62E+05 6.12E+05 2.32E+05 2.51E+05 2.21E+05 5.64E+05 2.31E+05 6.44E+05 2.83E+05 5.67E+05 2.29E+05 3.92E+05 2.58E+05 7.71E+05 2.76E+05 1.13E+06 2.52E+05 5.25E+05 1.99E+05 4.86E+05 2.64E+05 5.3E+05 2.19E+05 5.46E+05 2.1E+05 6.13E+05 2.35E+05 9.65E+05 2.32E+05 8.17E+05 2.47E+05 6.02E+05 1.71E+05 2.22E+05 2.1E+05 3.86E+05 1.91E+05 1.63E+05 Hymexazol O-glucoside 0 0 3.41E+03 1.22E+03 0 0 3.4E+03 1.22E+03 3E+03 1.08E+03 0 0 0 0 3.52E+03 1.25E+03 0 0 2.96E+03 1.05E+03 4.61E+03 1.66E+03 3.63E+03 1.29E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hypoxanthine 9.54E+05 8.51E+06 3.58E+05 9.1E+05 6.95E+05 7.02E+06 3.59E+05 9.6E+05 4.88E+05 1.14E+06 3.24E+05 7.78E+05 4.54E+05 1.03E+06 4.17E+05 9.11E+05 5.24E+05 7.01E+06 3.6E+05 8.38E+05 4.08E+05 8.51E+05 1.13E+05 3.09E+05 2.49E+05 5.49E+05 6.72E+05 7.33E+06 7.57E+05 7.63E+06 2.67E+05 6.35E+05 6.68E+05 1.17E+07 4.09E+05 9.93E+05 3.19E+05 8.06E+05 9.4E+05 1.06E+07 Indole-3-acetaldehyde 7.49E+04 1.27E+05 4.98E+05 1.23E+06 5.62E+04 1.32E+05 5.02E+05 1.27E+06 1.47E+06 4.19E+06 5.28E+05 1.29E+06 1.06E+06 2.82E+06 1.47E+06 3.74E+06 1.59E+05 3.82E+05 1.23E+06 2.85E+06 1.15E+06 2.67E+06 5.86E+05 1.47E+06 1.14E+06 2.77E+06 6.22E+04 1.45E+05 2.11E+05 5.16E+05 6.2E+05 1.41E+06 5.76E+05 1.53E+06 1.07E+05 2.8E+05 4.6E+05 1.05E+06 5.84E+04 1.21E+05 Inosine 3.25E+05 6.51E+05 1.1E+05 2.35E+05 2.07E+05 4.56E+05 1.22E+05 2.48E+05 1.65E+05 3.42E+05 8.28E+04 2E+05 1.29E+05 2.98E+05 1.25E+05 2.59E+05 1.76E+05 3.58E+05 1.29E+05 2.51E+05 1.28E+05 2.42E+05 3.29E+04 2.67E+04 7.82E+04 1.55E+05 2.02E+05 4.51E+05 2.13E+05 4.64E+05 7.8E+04 1.64E+05 2.05E+05 4.58E+05 1.26E+05 2.66E+05 1.02E+05 2.04E+05 2.9E+05 6.31E+05 Isobutyronitrile 2.77E+05 1.01E+06 5.66E+05 2.3E+06 2.76E+05 1.16E+06 5.16E+05 3.76E+06 6.64E+05 3.5E+06 6.23E+05 3.3E+06 6.61E+05 2.57E+06 5.72E+05 3.61E+06 4.29E+05 1.51E+06 5.81E+05 3.67E+06 6.67E+05 2.44E+06 5.83E+05 2.28E+06 6.27E+05 4.21E+06 3.25E+05 1.27E+06 5.82E+05 3.82E+06 7.25E+05 3.99E+06 3.28E+05 1.2E+06 4.5E+05 1.75E+06 5.79E+05 2.02E+06 2.64E+05 8.53E+05 Isoniazid 3.63E+04 2.12E+04 2.9E+04 3.24E+04 3.23E+04 5.32E+03 3.41E+04 5.62E+03 3.31E+04 5.79E+04 2.15E+04 2.61E+04 2.61E+04 3.07E+04 2.51E+04 1.23E+04 2.23E+04 3.14E+04 2.18E+04 2.41E+04 1.59E+04 9.36E+03 2.65E+04 9.07E+03 2.36E+04 1.98E+04 3.36E+04 2.82E+04 3.29E+04 2E+04 3.26E+04 1.33E+04 2.02E+04 4.66E+03 2.63E+04 5.89E+04 2.03E+04 2.02E+04 3.44E+04 7.66E+04 Jasmone 2.39E+04 1.92E+04 2.66E+04 8.48E+04 2.31E+04 1.42E+04 2.65E+04 4.39E+04 2.75E+04 6.13E+04 3.04E+04 3.61E+04 3.48E+04 5.95E+04 3.89E+04 6.42E+04 2.48E+04 5.18E+04 2.76E+04 3.22E+04 2.62E+04 9.01E+04 2.6E+04 6.64E+04 2.41E+04 2.11E+04 3E+04 1.25E+04 2.99E+04 3.57E+04 2.7E+04 9.18E+04 2.8E+04 3.89E+04 2.33E+04 4.76E+04 2.98E+04 3.85E+04 2.45E+04 1.29E+04 L-ARGININE 7.91E+07 1.76E+08 8.58E+07 1.97E+08 8.07E+07 1.39E+08 8.36E+07 1.87E+08 8.08E+07 2.02E+08 8.27E+07 2E+08 8.37E+07 1.89E+08 6.41E+07 1.74E+08 7.45E+07 1.86E+08 7.89E+07 2.03E+08 7.76E+07 1.48E+08 7.69E+07 2.01E+08 7.94E+07 2.14E+08 6.44E+07 1.6E+08 6.99E+07 1.85E+08 7.39E+07 1.95E+08 8.21E+07 1.98E+08 8.42E+07 1.95E+08 8.22E+07 1.91E+08 7.63E+07 1.6E+08 L-CARNITINE 5.91E+05 1.45E+06 4.6E+05 1.23E+06 5.62E+05 1.43E+06 5.03E+05 1.22E+06 4.65E+05 1.19E+06 5.94E+05 1.38E+06 4.92E+05 1.28E+06 4.3E+05 1.02E+06 6.18E+05 1.56E+06 5.07E+05 1.33E+06 4.37E+05 1.04E+06 5.84E+05 1.46E+06 4.77E+05 1.28E+06 5.16E+05 1.46E+06 4.62E+05 1.31E+06 5.33E+05 1.31E+06 5.88E+05 1.34E+06 3.66E+05 9.87E+05 4.93E+05 1.16E+06 5.45E+05 1.34E+06 L-Cysteate 1.24E+06 5.84E+06 1.01E+06 3.71E+06 1.18E+06 4.99E+06 8.39E+05 2.92E+06 7.24E+05 2.41E+06 7.34E+05 2.53E+06 5.38E+05 1.62E+06 8.17E+05 2.85E+06 7.12E+05 2.39E+06 4.02E+05 1.11E+06 7.19E+05 2.31E+06 9.08E+05 2.97E+06 5.02E+05 1.5E+06 1.19E+06 4.84E+06 8.12E+05 2.56E+06 6.9E+05 2.33E+06 7.94E+05 2.62E+06 6.41E+05 2.15E+06 6.96E+05 2.23E+06 1.19E+06 5.49E+06 L-Cystine 1.78E+06 2.85E+06 2.46E+06 2.95E+06 2.21E+06 2.93E+06 2.47E+06 3.16E+06 2.32E+06 2.99E+06 2.01E+06 2.39E+06 2.38E+06 2.95E+06 1.57E+06 2.44E+06 2.04E+06 2.93E+06 2.06E+06 2.82E+06 1.86E+06 2.3E+06 1.77E+06 2.46E+06 1.98E+06 2.46E+06 1.91E+06 2.53E+06 1.86E+06 2.44E+06 1.91E+06 2.45E+06 1.81E+06 2.56E+06 2.26E+06 2.86E+06 2.38E+06 2.79E+06 1.42E+06 2.16E+06 Levetiracetam 2.16E+05 7.53E+05 1.85E+05 5.88E+05 6.07E+05 3.74E+06 1.61E+05 5.23E+05 1.79E+05 5.94E+05 1.93E+05 6.13E+05 2.26E+05 7.94E+05 1.8E+05 5.89E+05 2.04E+05 6.76E+05 2.55E+05 7.62E+05 2.34E+05 7.93E+05 1.88E+05 6.95E+05 1.93E+05 6.85E+05 2.12E+05 7.31E+05 1.5E+05 5.3E+05 1.76E+05 2.2E+05 2.04E+05 7.26E+05 1.69E+05 3.99E+05 2.29E+05 7.34E+05 2.1E+05 6.91E+05 L-GLUTAMINE 1.14E+08 3.54E+08 1.61E+08 5.07E+08 1.1E+08 3.44E+08 1.53E+08 4.74E+08 1.66E+08 5.13E+08 1.77E+08 5.41E+08 1.66E+08 5.28E+08 1.48E+08 4.46E+08 1.3E+08 3.78E+08 1.68E+08 5.35E+08 1.36E+08 4.6E+08 1.73E+08 5.23E+08 1.7E+08 5.25E+08 1.24E+08 3.59E+08 1.81E+08 5.67E+08 1.59E+08 4.85E+08 1.32E+08 3.74E+08 1.75E+08 5.39E+08 1.7E+08 5.25E+08 1.09E+08 3.35E+08 L-HISTIDINE 1.91E+07 3.01E+07 2.78E+07 3.37E+07 2.31E+07 2.94E+07 2.62E+07 3.18E+07 2.28E+07 3.06E+07 2.61E+07 3.27E+07 2.78E+07 3.29E+07 1.68E+07 2.9E+07 2.12E+07 3.04E+07 2.13E+07 3.17E+07 2.61E+07 3.04E+07 2.36E+07 3.24E+07 2.45E+07 3.18E+07 2.06E+07 2.89E+07 2.01E+07 3.02E+07 2.33E+07 3.1E+07 1.97E+07 3.19E+07 2.4E+07 3.14E+07 2.55E+07 3.17E+07 1.96E+07 2.92E+07 Lichenin 1.64E+05 8.2E+05 8.76E+05 6.01E+06 5.49E+05 3.32E+06 9.76E+05 6.71E+06 1.14E+06 7.63E+06 1.16E+06 7.89E+06 1.18E+06 8.02E+06 9.06E+05 4.79E+06 1.08E+06 6.74E+06 1.24E+06 8.18E+06 9.96E+05 6.11E+06 1.11E+06 7E+06 1.1E+06 7.03E+06 4.26E+05 1.72E+06 8.81E+05 5.33E+06 9.67E+05 5.77E+06 1.41E+06 1.03E+07 1.2E+06 8.87E+06 1.2E+06 8.57E+06 1.81E+05 9.93E+05 Linustatin 4.16E+04 8.91E+04 2.74E+04 5.74E+04 3.88E+04 7.2E+04 4.71E+04 1.1E+05 6.27E+04 1.15E+05 1.59E+04 1.31E+04 6.93E+04 5.15E+04 4.29E+04 9.47E+04 3.5E+04 8.63E+04 6.12E+04 1.41E+05 5.79E+04 1.46E+05 4.26E+04 1.01E+05 6.44E+04 1.32E+05 2.97E+04 6.64E+04 3.86E+04 7.35E+04 3.85E+04 7.3E+04 2.78E+04 6.56E+04 3.83E+04 7.03E+04 2.45E+04 3.7E+04 3.94E+04 7.99E+04 L-LYSINE 2.05E+07 7.28E+07 2.19E+07 7.3E+07 1.91E+07 6.91E+07 2.01E+07 6.81E+07 2.17E+07 7.13E+07 2.11E+07 7.2E+07 1.93E+07 7.03E+07 1.95E+07 6.74E+07 1.91E+07 6.76E+07 2.13E+07 7.2E+07 1.9E+07 6.68E+07 2.12E+07 7.21E+07 2.07E+07 7.04E+07 1.91E+07 6.72E+07 2.01E+07 6.75E+07 1.91E+07 6.65E+07 1.93E+07 7.46E+07 1.88E+07 6.82E+07 2.04E+07 6.81E+07 1.96E+07 6.98E+07 L-METHIONINE 6.84E+06 1.86E+07 5.29E+06 1.46E+07 4.05E+06 1.11E+07 4.61E+06 1.28E+07 4.07E+06 1.13E+07 4.18E+06 1.19E+07 5.11E+06 1.43E+07 3.24E+06 9.11E+06 6.76E+05 1.75E+06 2.83E+06 7.72E+06 6.03E+06 1.64E+07 5.05E+06 1.41E+07 5.27E+06 1.9E+07 2.68E+06 7.57E+06 4.28E+06 1.19E+07 2.16E+06 6.05E+06 4.32E+05 1.1E+06 9.16E+06 2.63E+07 2.11E+06 5.44E+06 1.03E+07 2.85E+07 L-Methionine S-oxide 5.26E+07 1.23E+08 5.38E+07 1.21E+08 5.4E+07 1.25E+08 5.28E+07 1.19E+08 5.57E+07 1.25E+08 5.6E+07 1.29E+08 5.61E+07 1.25E+08 4.66E+07 1.19E+08 5.56E+07 1.28E+08 5.73E+07 1.3E+08 5.12E+07 1.14E+08 5.61E+07 1.28E+08 5.43E+07 1.34E+08 5.03E+07 1.25E+08 4.9E+07 1.18E+08 5.33E+07 1.26E+08 6.05E+07 1.39E+08 4.78E+07 1.12E+08 5.42E+07 1.18E+08 4.76E+07 1.14E+08 Lophocerine 3.55E+05 4.58E+06 3.58E+05 4.67E+06 3.61E+05 4.45E+06 3.57E+05 3.77E+06 3.65E+05 4.89E+06 3.6E+05 4.79E+06 4.01E+05 5.42E+06 3.9E+05 5.35E+06 3.7E+05 4.84E+06 3.79E+05 5.04E+06 3.97E+05 4.92E+06 3.62E+05 5.21E+06 4.2E+05 5.47E+06 3.8E+05 5.33E+06 3.97E+05 5.31E+06 3.91E+05 5.28E+06 3.13E+05 4.1E+06 3.27E+05 4.33E+06 3.41E+05 4.42E+06 3.5E+05 4.66E+06 Lovastatin 1.27E+06 9.43E+07 1.28E+06 9.24E+07 1.23E+06 9.02E+07 1.24E+06 8.62E+07 1.29E+06 9.46E+07 1.22E+06 8.82E+07 1.37E+06 1.03E+08 1.46E+06 1.07E+08 1.4E+06 1.02E+08 1.38E+06 1.06E+08 1.36E+06 1.05E+08 1.35E+06 9.98E+07 1.42E+06 1.09E+08 1.38E+06 1.08E+08 1.45E+06 1.1E+08 1.47E+06 1.09E+08 1.18E+06 8.17E+07 1.19E+06 8.31E+07 1.22E+06 8.52E+07 1.16E+06 8.55E+07 L-Phenylalanine 2.3E+08 7.52E+08 2.26E+08 7.3E+08 2.42E+08 7.66E+08 2.2E+08 7.05E+08 2.32E+08 7.5E+08 2.39E+08 7.66E+08 2.24E+08 7.53E+08 1.91E+08 6.2E+08 2.32E+08 7.27E+08 2.34E+08 7.67E+08 2.18E+08 6.85E+08 2.3E+08 7.59E+08 2.11E+08 7.11E+08 2.05E+08 6.61E+08 2.06E+08 6.44E+08 2.01E+08 6.68E+08 2.43E+08 7.85E+08 2.27E+08 7.09E+08 2.18E+08 7.03E+08 2.22E+08 7.58E+08 L-PROLINE 8.71E+06 4.52E+07 4.13E+06 3.41E+07 6.95E+06 4.09E+07 4.55E+06 3.48E+07 4.05E+06 3.45E+07 5.89E+06 3.9E+07 3.78E+06 3.35E+07 3.46E+06 3.18E+07 4.47E+06 3.53E+07 4.06E+06 3.47E+07 3.76E+06 3.32E+07 3.25E+06 3.22E+07 3.37E+06 3.24E+07 5.86E+06 3.83E+07 5.72E+06 3.81E+07 3.43E+06 3.23E+07 4.26E+06 3.53E+07 3.67E+06 3.33E+07 5.56E+06 3.82E+07 8.18E+06 4.27E+07 L-THREONINE 3.08E+07 1E+08 3.56E+07 1.09E+08 3.19E+07 1.01E+08 3.21E+07 1.01E+08 3.4E+07 1.06E+08 3.62E+07 1.11E+08 3.42E+07 1.06E+08 2.85E+07 8.95E+07 3.54E+07 1.02E+08 3.35E+07 1.07E+08 3.22E+07 9.72E+07 3.55E+07 1.05E+08 3.38E+07 1.03E+08 2.86E+07 9.04E+07 3.12E+07 9.38E+07 3.25E+07 9.7E+07 3.73E+07 1.04E+08 3.43E+07 1.03E+08 3.45E+07 1.04E+08 3.07E+07 9.68E+07 L-Tryptophan 4.27E+07 8.73E+07 4.08E+07 8.36E+07 4.11E+07 8.68E+07 3.95E+07 8.06E+07 4.06E+07 8.15E+07 4.35E+07 8.52E+07 4.11E+07 8.43E+07 3.37E+07 6.69E+07 3.8E+07 8.13E+07 4.15E+07 8.38E+07 3.64E+07 7.51E+07 4.06E+07 8.53E+07 3.95E+07 8.14E+07 3.73E+07 7.58E+07 3.77E+07 7.77E+07 3.85E+07 7.67E+07 4.1E+07 8.86E+07 3.71E+07 8.04E+07 3.8E+07 7.71E+07 4.25E+07 8.84E+07 L-Tyrosine 7E+07 3.48E+08 6.02E+07 3.04E+08 6.91E+07 3.5E+08 5.73E+07 2.94E+08 6.24E+07 3.12E+08 6.24E+07 3.21E+08 6.18E+07 3.19E+08 4.96E+07 2.56E+08 6.38E+07 3.25E+08 6.07E+07 3.17E+08 5.41E+07 2.86E+08 6.58E+07 3.2E+08 5.77E+07 3.07E+08 5.75E+07 2.98E+08 5.49E+07 2.81E+08 5.55E+07 2.86E+08 6.79E+07 3.39E+08 5.95E+07 3E+08 5.83E+07 2.97E+08 6.69E+07 3.43E+08 Mandipropamid 0 0 0 0 0 0 0 0 0 0 3.62E+03 1.26E+03 0 0 4.05E+03 1.4E+03 0 0 3.94E+03 1.38E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 MANNOSE 8.23E+06 3.22E+07 3.46E+07 1.13E+08 1.85E+07 7.01E+07 3.6E+07 1.19E+08 3.82E+07 1.35E+08 3.49E+07 1.28E+08 3.7E+07 1.34E+08 3.73E+07 1.2E+08 4.29E+07 1.5E+08 4.39E+07 1.48E+08 3.48E+07 1.15E+08 3.76E+07 1.32E+08 4.11E+07 1.42E+08 2.26E+07 8.03E+07 3.47E+07 1.21E+08 3.87E+07 1.34E+08 3.88E+07 1.48E+08 3.6E+07 1.22E+08 3.55E+07 1.23E+08 8.7E+06 3.33E+07 Melamine 3.94E+04 8.71E+04 3.21E+04 1.11E+05 3.1E+04 9.71E+04 3.27E+04 1.06E+05 4.5E+04 1.87E+05 3.1E+04 3.94E+04 5.61E+04 2.31E+05 6.71E+04 1.61E+05 4.46E+04 2.02E+05 4.75E+04 2.35E+05 5.81E+04 1.08E+05 3.78E+04 1.52E+05 6.29E+04 2.24E+05 4.15E+04 8.26E+04 4.81E+04 1.52E+05 4.36E+04 1.93E+05 5.65E+04 2.76E+05 3.01E+04 1.55E+04 2.2E+04 4.19E+04 4.11E+04 1.71E+05 Melatonin 0 0 4.32E+03 1.5E+03 4.08E+03 1.42E+03 4.13E+03 1.45E+03 5.43E+03 1.87E+03 8.38E+04 1.74E+05 7.15E+03 4.55E+03 0 0 0 0 4.26E+03 1.47E+03 4.13E+03 1.43E+03 9.12E+05 2.26E+06 0 0 0 0 4.36E+03 1.51E+03 0 0 0 0 4.16E+03 1.45E+03 0 0 4.75E+03 1.65E+03 Melithiazol A 3.01E+03 1.09E+03 0 0 0 0 2.97E+03 1.08E+03 5.34E+03 3.04E+03 4.54E+03 819 0 0 3.19E+03 1.15E+03 0 0 3.2E+03 1.15E+03 0 0 3.46E+03 1.25E+03 0 0 0 0 4.15E+03 1.5E+03 2.36E+03 872 0 0 0 0 3.8E+03 1.96E+03 0 0 Menadiol 3.8E+04 7.58E+04 3.21E+04 3.86E+04 3.3E+04 5.85E+04 3.6E+04 6.05E+04 3.66E+04 3.06E+04 3.3E+04 1.02E+04 2.47E+04 2.6E+04 3.55E+04 6.41E+04 4.03E+04 3.68E+04 3.04E+04 3.29E+04 2.73E+04 6.35E+03 3.35E+04 4.22E+04 2.75E+04 5.23E+04 3.73E+04 6.23E+04 2.74E+04 5.5E+04 2.36E+04 3.82E+04 2.55E+04 2.01E+04 3.34E+04 5.36E+04 3.47E+04 2.15E+04 2.53E+04 4.2E+04 Methyl 2-diazoacetamidohexonate 1.3E+05 2.78E+05 1.29E+05 6.06E+05 1.35E+05 5.52E+05 1.17E+05 5.13E+05 1.15E+05 4.88E+05 1.19E+05 2.83E+05 1.27E+05 3.82E+05 1.22E+05 5.92E+05 1.19E+05 5.58E+05 1.28E+05 5.91E+05 1.21E+05 3.15E+05 1.37E+05 3.7E+05 1.18E+05 7.55E+05 1.38E+05 3.66E+05 1.41E+05 6.46E+05 1.69E+05 3.95E+05 1.18E+05 3.13E+05 1.11E+05 3.04E+05 1.31E+05 5.35E+05 1.07E+05 2.33E+05 Methyleugenol 5.6E+05 3.99E+06 5.38E+05 3.77E+06 6.52E+05 3.8E+06 6.04E+05 3.69E+06 6.32E+05 3.8E+06 6.41E+05 3.75E+06 6.18E+05 3.68E+06 5.32E+05 3.61E+06 4.94E+05 1.84E+06 5.78E+05 3.63E+06 5.71E+05 3.66E+06 5.62E+05 3.56E+06 4.67E+05 1.67E+06 5.09E+05 3.39E+06 6.15E+05 3.44E+06 4.87E+05 1.75E+06 5.23E+05 5.44E+06 7.11E+05 3.83E+06 5.74E+05 3.76E+06 6.2E+05 3.94E+06 Methylguanidine 0 0 9.21E+03 2.99E+03 2.4E+03 864 5.36E+03 1.77E+03 0 0 2.88E+03 1.03E+03 0 0 0 0 0 0 5.68E+03 1.88E+03 0 0 0 0 0 0 3.28E+03 1.13E+03 2.45E+03 438 5.21E+03 1.72E+03 0 0 0 0 4.44E+03 1.51E+03 3.85E+03 1.33E+03 Militarinone D 4.85E+04 1.18E+05 5.9E+04 1.42E+05 5.65E+04 1.28E+05 5.96E+04 1.14E+05 4.98E+04 1.05E+05 5.84E+04 1.36E+05 5.51E+04 1.28E+05 5.85E+04 1.29E+05 4.47E+04 1.24E+05 5.16E+04 1.28E+05 4.48E+04 1.21E+05 4.61E+04 1.18E+05 4.78E+04 1.37E+05 5.27E+04 1.14E+05 4.82E+04 1.24E+05 5.04E+04 1.28E+05 4.7E+04 1.14E+05 8.07E+04 2.16E+05 5.07E+04 1.22E+05 4.03E+04 1.09E+05 Monodehydroascorbate 6.64E+05 2.67E+06 4.6E+05 1.55E+06 6.5E+05 2.19E+06 3.67E+05 1.2E+06 3.45E+05 9.04E+05 3.22E+05 1E+06 2.03E+05 5.94E+05 3.65E+05 1.09E+06 2.84E+05 8.75E+05 1.56E+05 4E+05 2.87E+05 8.47E+05 3.87E+05 1.14E+06 2.04E+05 5.48E+05 5.96E+05 2.08E+06 2.99E+05 9.56E+05 3.05E+05 8.78E+05 3.78E+05 1.13E+06 3.01E+05 8.45E+05 2.87E+05 8.82E+05 7.53E+05 2.63E+06 N,N'-Diethylthiourea 1.55E+05 3.44E+05 1.2E+05 2.51E+05 1.36E+05 2.72E+05 9.25E+04 2.07E+05 1.03E+05 2.12E+05 1.23E+05 2.75E+05 1.18E+05 2.54E+05 7.19E+04 1.86E+05 9.81E+04 1.93E+05 9.15E+04 1.93E+05 1.1E+05 2.25E+05 1.4E+05 2.67E+05 8.96E+04 2.02E+05 1.56E+05 3.28E+05 8.64E+04 1.9E+05 1.05E+05 1.93E+05 1.33E+05 2.85E+05 8.61E+04 2.03E+05 1.11E+05 2.31E+05 1.66E+05 3.6E+05 N1-Acetylspermidine 1.75E+04 1.23E+04 4.28E+03 1.48E+03 1.37E+04 2.38E+03 7.72E+03 2.65E+03 5.95E+03 2.03E+03 8.01E+03 8.97E+03 0 0 0 0 7.28E+03 2.5E+03 4.17E+03 1.45E+03 0 0 4.89E+03 1.73E+03 0 0 9.24E+03 3.2E+03 4.57E+03 1.59E+03 0 0 4.83E+03 1.69E+03 7.2E+03 2.48E+03 6.74E+03 3.91E+03 5.28E+03 1.81E+03 N6-(delta2-Isopentenyl)-adenine 4E+04 1.72E+04 4.37E+04 1.47E+05 3.98E+04 1.62E+05 4.82E+04 1.57E+05 5.79E+04 2.45E+05 4.16E+04 1.8E+05 4.49E+04 1.89E+05 4.21E+04 1.64E+05 3.88E+04 7.43E+04 4.57E+04 1.96E+05 4.36E+04 1.55E+05 6.28E+04 2.43E+05 4.81E+04 3.03E+04 4.96E+04 1.73E+05 4.46E+04 1.15E+05 4.2E+04 1.18E+05 3.82E+04 1.57E+05 5.25E+04 2.28E+05 4.43E+04 1.61E+05 4.71E+04 2.3E+05 N6-Acetyl-N6-hydroxy-L-lysine 1.09E+06 4.66E+06 5.69E+05 2.83E+06 1.37E+06 6.1E+06 4.89E+05 2.27E+06 4.41E+05 2.07E+06 8.84E+05 3.88E+06 5.77E+05 2.47E+06 5.99E+05 2.54E+06 1.65E+06 7.48E+06 1.01E+06 4.43E+06 5.01E+05 2.21E+06 6.9E+05 3.1E+06 7.8E+05 3.68E+06 9E+05 4E+06 4.73E+05 2.24E+06 6.37E+05 3.2E+06 2.1E+06 9.55E+06 3.63E+05 1.64E+06 9.38E+05 3.87E+06 5.16E+05 2.3E+06 N-Acetyl-L-citrulline 1.3E+04 1.87E+04 3.96E+08 9.01E+08 1.27E+05 2.89E+05 3.7E+08 8.58E+08 4.17E+08 9.61E+08 2.93E+08 6.72E+08 4E+08 9.46E+08 3.37E+08 8.08E+08 4.98E+03 1.72E+03 4.09E+08 9.76E+08 3.57E+08 8.66E+08 3.52E+08 8.5E+08 4.1E+08 9.83E+08 1.19E+05 2.54E+05 2.19E+08 5.35E+08 3.53E+08 8.42E+08 4.66E+03 1.65E+03 3.77E+08 8.94E+08 2.49E+08 5.95E+08 2.23E+04 3.37E+04 N-Acetylornithine 1.06E+06 6.26E+06 9.03E+05 4.71E+06 1.38E+06 8.39E+06 9.88E+05 5.53E+06 9.27E+05 5E+06 1E+06 5.82E+06 1.07E+06 5.59E+06 7.5E+05 4.21E+06 1.82E+06 1.04E+07 1.17E+06 6.68E+06 6.54E+05 3.82E+06 1.03E+06 5.61E+06 9.53E+05 5.41E+06 1.09E+06 6.23E+06 1.01E+06 5.27E+06 1.11E+06 6.18E+06 2.17E+06 1.18E+07 6.46E+05 3.78E+06 9.55E+05 5.42E+06 6.71E+05 3.92E+06 N-Acetylputrescine 7.23E+03 6.82E+03 7.19E+03 2.45E+03 8.64E+03 1.48E+03 5.69E+03 1.94E+03 8.71E+03 4.92E+03 4.64E+03 1.58E+03 8.25E+03 4.47E+03 6.13E+03 2.01E+03 1.41E+04 7.33E+03 1.02E+04 8.19E+03 4.7E+03 1.65E+03 4.22E+03 1.52E+03 5.35E+03 1.81E+03 1.08E+04 1.59E+04 8.87E+03 5.2E+03 6.33E+03 2.14E+03 2.56E+04 4.2E+04 5.91E+03 1.99E+03 8.59E+03 6.95E+03 5.65E+03 1.94E+03 N-Acetylserotonin 4.89E+03 1.67E+03 3.46E+06 7.78E+06 7.56E+03 6.41E+03 3.53E+06 7.58E+06 3.66E+06 8.29E+06 2.54E+06 6.04E+06 3.45E+06 8.17E+06 3.05E+06 7.16E+06 6.1E+03 3.8E+03 3.46E+06 8.39E+06 3.18E+06 7.56E+06 3.06E+06 7.24E+06 3.48E+06 8.27E+06 5.01E+03 1.77E+03 1.99E+06 4.62E+06 2.93E+06 7.13E+06 1.34E+04 3.64E+03 3.32E+06 7.75E+06 2.32E+06 5.54E+06 0 0 N-Cyclohexylformamide 2.69E+04 1.61E+04 1.84E+04 5.96E+03 2.23E+04 2.78E+04 2.19E+04 4.54E+03 2.07E+04 3.43E+03 2.23E+04 1.32E+04 1.69E+04 1.36E+04 1.62E+04 1E+04 2.52E+04 1.95E+04 2.57E+04 1.11E+04 2.21E+04 3.68E+03 2.03E+04 1.26E+04 2.03E+04 3.57E+04 1.87E+04 2.28E+04 1.69E+04 2.97E+04 1.65E+04 2.84E+03 1.93E+04 1.15E+04 1.72E+04 8.28E+03 1.65E+04 1.15E+04 2.04E+04 1.56E+04 N-Cyclopropylammeline 5.93E+05 1.78E+06 6.14E+05 1.05E+07 6.96E+05 1.47E+07 6.37E+05 1.54E+07 5.85E+05 1.76E+06 7E+05 1.88E+06 6.86E+05 1.61E+07 5.14E+05 1.47E+06 7.45E+05 1.78E+07 6.55E+05 1.86E+06 6.11E+05 1.5E+07 6.61E+05 1.47E+07 6.33E+05 1.76E+07 6.38E+05 1.22E+07 6.54E+05 1.07E+07 6.64E+05 1.08E+07 6.39E+05 1.84E+06 6.58E+05 1.42E+07 6.21E+05 1.72E+06 6.94E+05 1.58E+07 N-Ethylglycocyamine 2.03E+07 4.04E+07 2.19E+07 4.24E+07 2.16E+07 4.37E+07 2.09E+07 4.05E+07 2.12E+07 4.14E+07 2.19E+07 4.35E+07 2.04E+07 4.21E+07 1.8E+07 3.56E+07 1.92E+07 3.99E+07 2.2E+07 4.39E+07 1.8E+07 3.64E+07 2.21E+07 4.48E+07 1.94E+07 3.81E+07 1.9E+07 3.61E+07 1.81E+07 3.63E+07 1.96E+07 3.9E+07 2.12E+07 4.35E+07 1.9E+07 3.97E+07 2E+07 4.04E+07 1.82E+07 3.7E+07 N-Ethylmaleimide 9.04E+03 4.25E+03 1.55E+04 5.4E+03 9.04E+03 3.12E+03 1.22E+04 5.85E+03 8.3E+03 2.27E+03 1.53E+04 6.25E+03 1.35E+04 9.03E+03 1.37E+04 5.79E+03 1.55E+04 6.37E+03 1E+04 3.38E+03 1.28E+04 6.35E+03 1.54E+04 5.31E+03 1.6E+04 7.43E+03 1.15E+04 6.99E+03 1.41E+04 9.45E+03 1.55E+04 8.2E+03 2.9E+04 2.01E+04 1.33E+04 1.18E+04 1.38E+04 6.47E+03 1.59E+04 2.75E+03 N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine 2.28E+07 8.55E+07 2.24E+07 9.02E+07 2.33E+07 6.98E+07 2.13E+07 9.3E+07 2.25E+07 1.01E+08 2.4E+07 7.03E+07 2.2E+07 9.94E+07 1.95E+07 8.32E+07 2.34E+07 9.39E+07 2.37E+07 1.02E+08 2.16E+07 8.72E+07 2.31E+07 9.93E+07 2.23E+07 8.56E+07 2.13E+07 6.26E+07 2.08E+07 7.72E+07 2.09E+07 6.36E+07 2.42E+07 1.06E+08 2.16E+07 7.82E+07 2.1E+07 8.31E+07 2.19E+07 9.32E+07 NICOTINAMIDE 1.59E+07 8.84E+07 1.49E+07 6.2E+07 1.54E+07 6.45E+07 1.52E+07 8.11E+07 1.58E+07 8.93E+07 1.58E+07 8.69E+07 1.55E+07 6.61E+07 1.29E+07 5.42E+07 1.57E+07 8.41E+07 1.65E+07 6.57E+07 1.45E+07 8.3E+07 1.59E+07 8.88E+07 1.51E+07 6.5E+07 1.55E+07 8.3E+07 1.42E+07 8.19E+07 1.6E+07 8.49E+07 1.56E+07 9.17E+07 1.54E+07 8.69E+07 1.37E+07 5.77E+07 1.58E+07 7.94E+07 N-Methyl-2-pyrrolidinone 5.57E+04 3.24E+04 8.53E+04 6.54E+04 5.7E+04 2.06E+05 8.19E+04 3.67E+05 6.9E+04 2E+05 8.7E+05 1.86E+07 6.95E+04 2.89E+05 9.41E+04 2.15E+05 7.89E+04 1.95E+05 9.36E+04 4.54E+05 7.37E+04 5.35E+04 8.16E+04 1.97E+05 8.7E+04 1.86E+05 3.12E+05 2E+06 7.49E+04 1.32E+05 7.78E+04 1.56E+05 7.13E+05 1.81E+07 5.13E+04 1.15E+05 8.37E+04 1.92E+05 2.33E+05 1.51E+06 N-METHYL-D-ASPARTIC ACID 2.41E+07 5.55E+07 2.01E+06 4.69E+06 2.07E+07 4.9E+07 1.75E+06 4.14E+06 1.79E+06 3.93E+06 3.01E+06 7.1E+06 1.57E+06 3.49E+06 1.76E+06 3.95E+06 2.9E+07 6.82E+07 1.59E+06 3.45E+06 1.64E+06 3.79E+06 3.82E+06 8.98E+06 1.69E+06 3.79E+06 2.06E+07 4.98E+07 2.43E+06 5.19E+06 1.99E+06 4.25E+06 3.13E+07 7.46E+07 2.02E+06 4.62E+06 2.52E+06 6.19E+06 2E+07 4.74E+07 N-Methylpelletierine 5.72E+04 1.62E+05 5.74E+04 1.78E+05 6.58E+04 2.44E+05 6.74E+04 2.36E+05 4.05E+04 1.64E+05 6.44E+04 1.76E+05 5.57E+04 2.06E+05 6.26E+04 2.04E+05 5.6E+04 2.36E+05 5.28E+04 1.89E+05 5.37E+04 2.58E+05 7.07E+04 1.23E+05 5.74E+04 2.11E+05 6.81E+04 2.58E+05 5.74E+04 7.88E+04 5.96E+04 1.37E+05 5.77E+04 1.7E+05 4.82E+04 1.32E+05 6.42E+04 2.04E+05 5.07E+04 1.81E+05 N'-Nitrosoanabasine 5.5E+03 1.91E+03 8.92E+03 5.05E+03 6.02E+03 5.95E+03 5.49E+03 1.9E+03 6.63E+03 2.29E+03 8.76E+03 3.03E+03 5.09E+03 1.76E+03 5.36E+03 1.86E+03 8.34E+03 1.43E+03 6.12E+03 3.79E+03 8.79E+03 5.96E+03 1.37E+04 1.1E+04 6.52E+03 4.74E+03 7.31E+03 2.55E+03 7.3E+03 2.53E+03 5.21E+03 1.79E+03 7.14E+03 3.24E+03 6.51E+03 2.27E+03 7.6E+03 6.93E+03 5.08E+03 1.78E+03 N-Nitrosopiperidine 2.49E+06 1.87E+08 2.75E+06 1.79E+08 2.5E+06 1.87E+08 2.45E+06 1.95E+08 2.87E+06 1.88E+08 2.79E+06 1.86E+08 2.89E+06 2.07E+08 3.43E+06 2.24E+08 2.43E+06 1.93E+08 3.11E+06 2.18E+08 2.5E+06 2.03E+08 3.42E+06 2.05E+08 3.51E+06 2.27E+08 3.52E+06 2.26E+08 2.96E+06 2.34E+08 3.31E+06 2.34E+08 2.04E+06 1.68E+08 1.67E+06 1.66E+08 1.95E+06 1.85E+08 2.03E+06 1.93E+08 NORLEUCINE 2.38E+08 2.83E+09 2.41E+08 2.79E+09 2.4E+08 2.83E+09 2.33E+08 2.66E+09 2.62E+08 2.92E+09 2.55E+08 2.94E+09 2.65E+08 3.03E+09 2.24E+08 2.56E+09 2.42E+08 2.87E+09 2.69E+08 3.06E+09 2.5E+08 2.79E+09 2.64E+08 3.06E+09 2.58E+08 3.07E+09 2.35E+08 2.7E+09 2.43E+08 2.77E+09 2.47E+08 2.87E+09 2.61E+08 2.98E+09 2.44E+08 2.78E+09 2.27E+08 2.65E+09 2.41E+08 2.81E+09 N-Phosphohypotaurocyamine 1.6E+06 5.92E+06 1.45E+06 6.5E+06 1.47E+06 5.88E+06 1.39E+06 6.19E+06 1.59E+06 6.24E+06 1.51E+06 6.85E+06 1.46E+06 5.77E+06 1.41E+06 5.6E+06 1.51E+06 5.98E+06 1.44E+06 5.87E+06 1.41E+06 5.62E+06 1.56E+06 6.49E+06 1.26E+06 5.53E+06 1.21E+06 5.11E+06 1.35E+06 5.37E+06 1.35E+06 5.94E+06 1.47E+06 6.18E+06 1.23E+06 5.25E+06 1.51E+06 6.32E+06 1.4E+06 5.9E+06 N-Succinyl-2-L-amino-6-oxoheptanedioate 4.26E+03 6.7E+03 2.82E+03 3.02E+03 4.16E+03 3.02E+03 0 0 2.61E+03 967 2.79E+03 1.03E+03 0 0 2.95E+03 1.09E+03 0 0 0 0 0 0 2.66E+03 995 2.69E+03 985 4.2E+03 771 0 0 0 0 3.73E+03 1.39E+03 0 0 2.22E+03 823 4.99E+03 2.84E+03 N-Trimethyl-2-aminoethylphosphonate 6.47E+04 3.13E+05 7.04E+04 3.3E+05 6.76E+04 2.68E+05 7.27E+04 3.01E+05 7.32E+04 3.77E+05 7.29E+04 3.1E+05 7.95E+04 2.93E+05 7.4E+04 2.82E+05 7.44E+04 2.2E+05 7.61E+04 2.44E+05 8.55E+04 4.57E+05 7.44E+04 3.61E+05 6.79E+04 2.47E+05 6.55E+04 3.72E+05 7.33E+04 2.38E+05 7.04E+04 1.8E+05 7.7E+04 2.44E+05 6.99E+04 1.68E+05 6.86E+04 3.04E+05 6.08E+04 3.23E+05 N-Vinyl-2-pyrrolidone 3.66E+04 4.42E+04 5.72E+04 1.3E+05 3.74E+04 2.06E+04 5.45E+04 1.09E+05 5.59E+04 1.08E+05 5.71E+04 1.22E+05 4.46E+04 1.1E+05 5.19E+04 1.44E+05 6.34E+04 1.47E+05 6E+04 1.37E+05 4.27E+04 3.94E+04 6.66E+04 9.64E+04 5.25E+04 1.14E+05 4.56E+04 1.17E+05 5.44E+04 1.26E+05 6.8E+04 1.41E+05 6.45E+04 1.53E+05 4.04E+04 7.58E+04 5.44E+04 1.39E+05 3.56E+04 4.45E+04 Octylamine 2.15E+06 3.53E+07 1.79E+06 3.51E+07 1.86E+06 3.39E+07 1.78E+06 3.36E+07 1.9E+06 3.51E+07 1.83E+06 3.27E+07 2.07E+06 3.71E+07 2.04E+06 3.78E+07 2.07E+06 3.66E+07 2.09E+06 3.76E+07 2.22E+06 3.75E+07 2E+06 3.66E+07 2.06E+06 3.74E+07 2.4E+06 3.74E+07 2.26E+06 3.75E+07 2.13E+06 3.77E+07 1.64E+06 2.98E+07 1.65E+06 3.07E+07 1.78E+06 3.14E+07 1.72E+06 3.2E+07 Ornaline 4.08E+04 1.4E+04 3.2E+04 6.25E+04 3.05E+04 7.64E+04 2.71E+04 4.6E+04 3.55E+04 8.75E+04 3.3E+04 6.78E+04 3.93E+04 2.64E+04 4.01E+04 5.83E+04 3.76E+04 6.74E+04 3.48E+04 5.73E+04 3.63E+04 1.04E+05 3.66E+04 1E+05 3.48E+04 8.31E+04 3.37E+04 7.71E+04 3.47E+04 8.96E+04 3.57E+04 8.22E+04 2.84E+04 3.48E+04 2.7E+04 2.05E+04 3.11E+04 4.82E+04 3.12E+04 1.57E+04 Orthophosphate_1 4.77E+05 2.41E+07 4.81E+05 9.14E+07 4.86E+05 2.1E+07 4.85E+05 4.96E+07 4.83E+05 8.68E+07 4.83E+05 4.13E+07 5.09E+05 3.47E+08 4.95E+05 5.83E+07 4.92E+05 9.25E+07 4.95E+05 1.03E+08 4.94E+05 8.93E+07 4.87E+05 8.66E+07 5.18E+05 3.53E+08 5.06E+05 1.52E+07 5.21E+05 8.53E+07 5.14E+05 4.43E+07 4.7E+05 4.09E+07 4.7E+05 9.01E+07 4.66E+05 9.24E+07 4.69E+05 8.48E+07 Orthophosphate_2 4.78E+05 4.21E+07 4.93E+05 1.09E+08 4.84E+05 1.86E+07 4.85E+05 6.74E+07 4.83E+05 1.05E+08 4.83E+05 5.89E+07 5.09E+05 5.93E+07 5.02E+05 3.52E+08 5.01E+05 3.48E+07 4.95E+05 2.81E+07 4.95E+05 1.66E+07 4.87E+05 1.04E+08 5.18E+05 1.07E+08 5.08E+05 3.51E+08 5.24E+05 3.62E+08 5.35E+05 3.61E+08 4.7E+05 5.8E+07 4.7E+05 1.07E+08 4.76E+05 1.1E+08 4.69E+05 1.02E+08 Orthophosphate_3 4.73E+05 7.99E+07 4.81E+05 7.93E+07 4.88E+05 7.93E+07 4.71E+05 3.77E+07 4.79E+05 7.46E+07 4.83E+05 2.97E+07 5.09E+05 2.88E+07 4.95E+05 4.6E+07 4.92E+05 8.05E+07 4.95E+05 9.12E+07 4.94E+05 7.7E+07 4.75E+05 7.46E+07 5.18E+05 7.62E+07 4.88E+05 7.18E+07 5.14E+05 7.24E+07 5.14E+05 3.17E+07 4.52E+05 2.95E+07 4.63E+05 7.87E+07 4.61E+05 8.08E+07 4.69E+05 7.33E+07 Orthophosphate_4 4.86E+05 1.4E+07 4.93E+05 1.29E+08 4.84E+05 3.77E+07 4.85E+05 8.65E+07 4.86E+05 1.24E+08 4.83E+05 7.8E+07 5.09E+05 7.92E+07 5.02E+05 9.68E+07 5.01E+05 5.44E+07 4.95E+05 4.81E+07 4.95E+05 3.66E+07 4.87E+05 1.24E+08 5.18E+05 1.17E+08 4.91E+05 1.82E+07 5.24E+05 1.26E+08 5.35E+05 8.41E+07 4.7E+05 7.67E+07 4.53E+05 2.42E+07 4.9E+05 2.28E+07 4.64E+05 2.33E+07 Ostruthin 3.28E+05 9.33E+05 3.37E+05 9.43E+05 3.91E+05 9.61E+05 3.4E+05 9.11E+05 3.06E+05 8.15E+05 3.28E+05 8.88E+05 3.95E+05 1.03E+06 4.06E+05 1.09E+06 3.6E+05 9.62E+05 3.66E+05 9.88E+05 4.29E+05 1.1E+06 4.77E+05 1.06E+06 4.07E+05 1.12E+06 3.7E+05 1.02E+06 3.96E+05 1.03E+06 3.86E+05 9.83E+05 3.16E+05 8.98E+05 3.74E+05 9.54E+05 3.7E+05 9.25E+05 3.96E+05 9.79E+05 Otonecine 2.72E+04 6.76E+04 2.59E+04 8.07E+03 2.52E+04 9.75E+03 2.4E+04 1.27E+04 2.5E+04 5.81E+04 2.36E+04 3.41E+04 2.73E+04 3.42E+04 3.33E+04 2.7E+04 3.07E+04 7.76E+04 3.01E+04 3.52E+04 2.54E+04 8.68E+04 2.33E+04 1.97E+04 2.53E+04 2.91E+04 3.45E+04 6.6E+04 2.54E+04 7.87E+04 2.35E+04 3.78E+04 2.55E+04 6.77E+04 2.66E+04 3.13E+04 2.56E+04 6.07E+04 2.11E+04 3.91E+04 Oxethazaine 4.99E+05 5.32E+06 4.98E+05 2.68E+06 4.71E+05 4.37E+06 4.29E+05 2.96E+06 4.84E+05 5.44E+06 4.75E+05 2.9E+06 4.98E+05 4.75E+06 4.92E+05 1.19E+06 4.97E+05 6.45E+06 5.49E+05 1.15E+07 4.92E+05 8.25E+06 4.94E+05 3.97E+06 5.2E+05 1.12E+07 5.39E+05 1.08E+07 4.86E+05 4.19E+06 5.44E+05 1.12E+07 3.15E+05 1.96E+06 4.46E+05 5.65E+06 4.33E+05 3.59E+06 4.47E+05 3.39E+06 Oxidized Latia luciferin 5.75E+05 3.23E+06 5.84E+05 3.34E+06 5.77E+05 3.56E+06 5.61E+05 3.42E+06 5.8E+05 3.35E+06 5.89E+05 3.31E+06 5.84E+05 2.88E+06 5.42E+05 3.07E+06 5.62E+05 3.23E+06 5.42E+05 3.25E+06 5.79E+05 3.31E+06 5.81E+05 3.62E+06 5.61E+05 2.78E+06 5.24E+05 3.17E+06 5.19E+05 3.14E+06 5.13E+05 3.28E+06 5.41E+05 3.2E+06 6.41E+05 3.23E+06 5.61E+05 2.96E+06 5.46E+05 3.56E+06 Pantothenate 1.4E+06 2.79E+06 1.32E+06 2.72E+06 1.47E+06 2.92E+06 1.19E+06 2.35E+06 1.15E+06 2.41E+06 1.59E+06 3.17E+06 1.28E+06 2.49E+06 1.13E+06 2.34E+06 1.24E+06 2.48E+06 1.51E+06 2.86E+06 1.19E+06 2.3E+06 1.66E+06 3.31E+06 1.27E+06 2.4E+06 1.07E+06 2.3E+06 1.17E+06 2.38E+06 1.39E+06 2.76E+06 1.45E+06 2.97E+06 1.19E+06 2.54E+06 1.3E+06 2.66E+06 1.08E+06 2.26E+06 Paspalinine 1.08E+07 1.16E+09 1.05E+07 1.15E+09 1.04E+07 1.14E+09 1.11E+07 1.17E+09 1.04E+07 1.15E+09 1.16E+07 1.16E+09 1.04E+07 1.14E+09 1.08E+07 1.11E+09 1.04E+07 1.14E+09 1.01E+07 1.12E+09 1.14E+07 1.13E+09 1.06E+07 1.14E+09 1.05E+07 1.11E+09 1.06E+07 1.11E+09 1.05E+07 1.1E+09 9.95E+06 1.1E+09 1.17E+07 1.7E+08 1.15E+07 1.18E+09 1.09E+07 1.18E+09 1.12E+07 1.18E+09 Penicillin G 1.56E+07 3.39E+07 9.3E+05 1.83E+06 1.71E+07 4.63E+07 7.47E+05 1.68E+06 2.28E+06 7.51E+06 9.45E+05 2.07E+06 3.2E+06 7.19E+06 1.38E+06 3.1E+06 1.38E+07 3.31E+07 3.59E+06 7.26E+06 2.69E+06 5.92E+06 8.47E+05 1.77E+06 2.98E+06 1.08E+07 1.47E+07 3.07E+07 1.56E+05 2.71E+05 7.98E+05 1.59E+06 1.46E+07 3.1E+07 2.24E+05 4.96E+05 8.41E+05 1.77E+06 1.48E+07 4.09E+07 Penicillin K 3.18E+03 1.14E+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 Pentadecane 1.76E+04 9.09E+03 1.49E+04 1.5E+04 2.11E+04 7E+03 1.73E+04 1.81E+04 1.78E+04 3.04E+03 1.82E+04 1.19E+04 1.08E+04 3.58E+03 5.92E+03 1.01E+03 9E+03 2.98E+03 7.79E+03 2.66E+03 1.17E+04 3.84E+03 8.5E+03 2.87E+03 5.26E+03 1.82E+03 8.6E+03 2.91E+03 6.34E+03 2.11E+03 6.62E+03 2.28E+03 3.46E+04 4.17E+04 2.78E+04 4.73E+04 2.44E+04 2.66E+04 2.09E+04 5.82E+03 Pentanamide 4.85E+05 4.13E+06 4.85E+05 4.36E+06 4.96E+05 4.41E+06 4.63E+05 4.3E+06 5.11E+05 2.67E+07 5.03E+05 2.35E+07 5.07E+05 2.38E+07 4.65E+05 4.13E+06 5.15E+05 2.57E+07 4.71E+05 2.81E+06 4.69E+05 4.27E+06 4.99E+05 4.05E+06 4.74E+05 4.12E+06 4.88E+05 4.27E+06 4.55E+05 4.47E+06 4.81E+05 4.5E+06 5.33E+05 2.53E+07 4.98E+05 4.61E+06 4.47E+05 3.73E+06 4.79E+05 4.34E+06 Pentylenetetrazole_1 1.04E+06 2.76E+07 9.35E+05 2.94E+07 9.84E+05 2.5E+07 9.54E+05 2.52E+07 9.23E+05 1.44E+06 8.34E+05 2.77E+07 9.46E+05 2.5E+07 5.18E+05 1.02E+06 8.49E+05 2.94E+07 9.39E+05 2.72E+07 5.15E+05 8.69E+05 9.12E+05 2.46E+07 7.45E+05 2.84E+07 1.12E+06 3.19E+07 9.5E+05 1.47E+06 9.18E+05 2.96E+07 7.76E+05 2.12E+07 9.22E+05 2.21E+07 7.33E+05 1.33E+06 9.31E+05 2.52E+07 Pentylenetetrazole_2 1.79E+04 1.45E+04 1.85E+04 1.73E+04 1.85E+04 3.23E+03 1.78E+04 1.32E+04 2.06E+04 4.87E+03 1.91E+04 8.53E+03 1.83E+04 1.44E+04 2.28E+04 9.84E+03 2.21E+04 3.15E+04 1.81E+04 8.54E+03 2.04E+04 2.23E+04 2.03E+04 1.66E+04 2.08E+04 1.3E+04 2.02E+04 1.6E+04 2.27E+04 1.14E+04 2.01E+04 9.58E+03 1.83E+04 4.31E+03 2.12E+04 1.65E+04 2.05E+04 1.58E+04 1.99E+04 1.96E+04 Phaseollidin 0 0 0 0 0 0 0 0 0 0 0 0 2.78E+03 1.02E+03 2.8E+03 1.02E+03 0 0 2.64E+03 963 3.23E+03 1.18E+03 0 0 0 0 0 0 2.76E+03 1E+03 0 0 0 0 0 0 0 0 0 0 Phenazopyridine 6.32E+03 1.1E+03 6E+03 2.11E+03 5.24E+03 1.84E+03 6.06E+03 1.05E+03 4.59E+03 1.6E+03 1.73E+04 6.08E+03 4.81E+03 1.68E+03 6.24E+03 2.18E+03 1.38E+04 2.42E+03 5.73E+03 2E+03 6.05E+03 3.72E+03 4.43E+03 1.54E+03 6.28E+03 2.19E+03 4.07E+03 1.41E+03 7.15E+03 3.31E+03 0 0 4.66E+03 1.63E+03 4.05E+03 1.43E+03 5.48E+03 1.92E+03 7.27E+03 2.56E+03 Phendimetrazine 7.38E+05 4.42E+06 7.03E+05 4.55E+06 6.4E+05 4.27E+06 6.84E+05 4.18E+06 7.86E+05 4.33E+06 6.68E+05 4.18E+06 6.24E+05 5.01E+06 7.08E+05 4.74E+06 7.16E+05 4.64E+06 7.38E+05 1.49E+07 7.51E+05 4.66E+06 6.38E+05 4.69E+06 6.56E+05 7.57E+06 6.82E+05 4.25E+06 7.44E+05 4.5E+06 5.84E+05 4.4E+06 6.67E+05 3.57E+06 5.8E+05 4.18E+06 6.2E+05 3.97E+06 6.25E+05 4.28E+06 Phenmetrazine 5.98E+05 1.66E+07 6.05E+05 1.5E+07 6.06E+05 1.62E+07 5.76E+05 1.44E+07 6.15E+05 1.63E+07 6.05E+05 1.51E+07 6.1E+05 1.73E+07 5.89E+05 1.55E+07 6.66E+05 1.92E+07 5.99E+05 1.43E+07 5.74E+05 1.39E+07 5.94E+05 1.85E+07 7.01E+05 1.42E+07 6.67E+05 1.29E+07 6.12E+05 1.61E+07 5.85E+05 1.46E+07 5.1E+05 4.23E+06 4.76E+05 3.58E+06 5.77E+05 1.2E+07 5.55E+05 1.34E+07 Phenyl acetate 2.83E+04 2.43E+04 3.02E+04 7.95E+04 2.53E+04 7.31E+03 2.53E+04 9.49E+04 2.83E+04 3.61E+04 2.85E+04 3.44E+04 2.8E+04 5.23E+04 3.13E+04 6.34E+04 3.45E+04 7.28E+03 3.11E+04 5.32E+04 2.96E+04 1.66E+04 3.8E+04 4.49E+04 2.62E+04 9.95E+04 3.59E+04 7.86E+04 2.61E+04 5.67E+04 2.95E+04 8.93E+04 2.71E+04 1.05E+05 2.8E+04 2.41E+04 3.25E+04 3.63E+04 2.9E+04 7.75E+04 Phenylacetaldehyde_1 1.38E+06 2.27E+07 1.6E+06 2.26E+07 1.46E+06 2.31E+07 1.53E+06 2.6E+07 1.47E+06 2.52E+07 1.54E+06 2.34E+07 1.46E+06 2.38E+07 1.18E+06 2.3E+07 1.48E+06 2.17E+07 1.51E+06 2.31E+07 1.53E+06 2.43E+07 1.5E+06 2.34E+07 1.43E+06 2.41E+07 1.22E+06 2.1E+07 1.42E+06 2.11E+07 1.4E+06 2.28E+07 1.72E+06 2.43E+07 1.57E+06 2.16E+07 1.47E+06 2.52E+07 1.42E+06 2.2E+07 Phenylacetaldehyde_2 4.36E+04 1.18E+05 4.19E+04 9.98E+04 4.16E+04 1.47E+05 4.36E+04 5.13E+05 3.93E+04 2.14E+05 4.11E+04 6.13E+05 4.48E+04 1.36E+05 5.18E+04 1.45E+05 3.9E+04 3.54E+04 4.2E+04 7.98E+04 4.66E+04 1.5E+05 4.45E+04 1.7E+05 4.53E+04 2.04E+05 3.94E+04 1.3E+05 4.26E+04 1.23E+05 4.34E+04 1.38E+05 3.72E+04 1.73E+05 4.04E+04 2.52E+05 4.35E+04 1.27E+05 4.18E+04 2.29E+05 Phenylethyl alcohol 7.23E+04 2.68E+05 7.45E+04 2.53E+05 7.4E+04 2.65E+05 7.96E+04 1.51E+05 7.16E+04 2.46E+05 7.46E+04 2.88E+05 8.36E+04 1.34E+05 8.12E+04 3.19E+05 7.01E+04 2.57E+05 7.8E+04 2.42E+05 8.16E+04 3.19E+05 7.48E+04 2.85E+05 7.24E+04 3.87E+05 7.93E+04 2.33E+05 8.15E+04 2.23E+05 7.75E+04 2.84E+05 7.62E+04 3.16E+05 7.59E+04 2.71E+05 7.36E+04 1.81E+05 6.92E+04 2.59E+05 Phorbol 13-butanoate 2.92E+06 3.01E+08 2.77E+06 2.99E+08 2.88E+06 3E+08 3.04E+06 3.01E+08 2.82E+06 1.15E+07 3.2E+06 3.02E+08 2.91E+06 2.96E+08 2.93E+06 2.87E+08 2.77E+06 2.96E+08 2.69E+06 2.89E+08 3.03E+06 2.93E+08 2.87E+06 2.97E+08 2.73E+06 2.87E+08 2.89E+06 2.86E+08 2.88E+06 2.87E+08 2.72E+06 2.87E+08 3.19E+06 3.84E+07 3.15E+06 3.09E+08 2.98E+06 3.08E+08 2.93E+06 3.07E+08 Phosphoagmatine 4.92E+04 6.88E+04 4.99E+04 2.71E+04 5.48E+04 5.31E+04 4.53E+04 1.13E+05 4.56E+04 1.87E+05 4.87E+04 1.18E+05 5.73E+04 5.62E+04 5.52E+04 1.48E+05 4.98E+04 8.56E+04 4.85E+04 2.43E+05 5.17E+04 5.58E+04 4.86E+04 1.34E+05 5.54E+04 2.28E+05 5.16E+04 2E+05 4.69E+04 5.51E+04 5.64E+04 7.29E+04 4.57E+04 5.23E+04 5.45E+04 1.11E+05 4.27E+04 8.26E+04 4.13E+04 7E+04 Phthalate_1 7.77E+05 1.28E+07 9.79E+05 1.76E+07 9.62E+05 1.77E+07 9.64E+05 1.16E+07 8.97E+05 1.09E+07 1.07E+06 1.56E+07 9.31E+05 1.97E+07 7.78E+05 1.59E+07 9.31E+05 1.64E+07 8.34E+05 1.35E+07 8.5E+05 1.41E+07 9.97E+05 1.29E+07 8.11E+05 1.59E+07 6.93E+05 1.8E+07 8.06E+05 1.17E+07 9.24E+05 1.18E+07 9.98E+05 1.49E+07 7.98E+05 2.12E+06 9.64E+05 1.91E+07 8.97E+05 1.12E+07 Phthalate_2 3.13E+05 9.12E+05 3.34E+05 8.95E+05 3.13E+05 9.07E+05 2.99E+05 8.79E+05 3.34E+05 9.02E+05 3.02E+05 8.23E+05 3.33E+05 8.81E+05 3.38E+05 9.19E+05 3.39E+05 9.2E+05 3.6E+05 9.48E+05 3.15E+05 8.62E+05 3.12E+05 9.18E+05 3.38E+05 9.31E+05 3.12E+05 8.65E+05 3.32E+05 8.93E+05 3.23E+05 8.9E+05 3.41E+05 9.12E+05 2.97E+05 8.43E+05 2.8E+05 8.68E+05 3.31E+05 9.77E+05 Phytuberin 3.73E+06 1.34E+07 3.57E+06 1.18E+07 3.54E+06 1.17E+07 3.61E+06 1.28E+07 3.67E+06 1.26E+07 3.55E+06 1.2E+07 3.56E+06 1.19E+07 3.31E+06 1.18E+07 3.46E+06 1.28E+07 3.5E+06 1.27E+07 3.51E+06 1.17E+07 3.56E+06 1.28E+07 3.67E+06 1.29E+07 3.71E+06 1.29E+07 3.41E+06 1.27E+07 3.54E+06 1.23E+07 3.44E+06 1.27E+07 3.6E+06 1.17E+07 3.27E+06 1.23E+07 3.41E+06 1.29E+07 PIPECOLATE 3.02E+05 1.2E+06 3.65E+05 1.73E+06 2.46E+05 1.09E+06 3.49E+05 1.43E+06 3.42E+05 1.43E+06 3.9E+05 1.71E+06 3.87E+05 1.36E+06 3.05E+05 1.16E+06 2.28E+05 1.09E+06 3.77E+05 1.71E+06 3.88E+05 1.39E+06 4.17E+05 1.76E+06 3.62E+05 1.43E+06 2.54E+05 1.19E+06 3.42E+05 1.41E+06 3.31E+05 1.41E+06 2.63E+05 1.04E+06 3.62E+05 1.33E+06 3.64E+05 1.51E+06 2.7E+05 9.35E+05 Piperideine 3.87E+07 3.83E+08 4.02E+07 3.9E+08 3.97E+07 4.02E+08 3.86E+07 3.76E+08 4.04E+07 4.03E+08 3.96E+07 4E+08 4.08E+07 4.12E+08 3.76E+07 3.83E+08 4.06E+07 4.07E+08 4.07E+07 3.85E+08 4.08E+07 3.86E+08 4.03E+07 4.02E+08 4.01E+07 4.01E+08 3.91E+07 3.86E+08 4.06E+07 4.15E+08 4.14E+07 4.41E+08 4.26E+07 4.36E+08 4.22E+07 4.18E+08 3.96E+07 3.75E+08 4.03E+07 3.87E+08 Piperidione 1.65E+05 5.02E+05 1.5E+05 4.92E+05 1.62E+05 5.17E+05 1.5E+05 5.21E+05 1.61E+05 5.41E+05 1.59E+05 4.78E+05 1.69E+05 4.94E+05 1.69E+05 4.86E+05 1.59E+05 5.28E+05 1.68E+05 5.3E+05 1.64E+05 5.22E+05 1.53E+05 5.12E+05 1.63E+05 4.89E+05 1.59E+05 5.28E+05 1.67E+05 5.56E+05 1.74E+05 5.58E+05 1.51E+05 4.9E+05 1.64E+05 5E+05 1.73E+05 5.33E+05 1.36E+05 4.26E+05 Pirimicarb 3.15E+05 2.22E+06 2.98E+05 4.12E+06 3.31E+05 4.69E+06 3.36E+05 3.2E+06 3.23E+05 3.89E+06 3.1E+05 4.12E+06 3.59E+05 1.95E+06 3.42E+05 4.64E+06 3.41E+05 9.01E+05 3.07E+05 4.53E+06 3.69E+05 1.12E+06 3.22E+05 4.54E+06 3.17E+05 3.3E+06 3.6E+05 9.35E+05 3.05E+05 3.84E+06 3E+05 4.07E+06 3.1E+05 1.01E+06 3.05E+05 9.46E+05 3.23E+05 4.68E+06 3.26E+05 4.75E+06 Precocene II 2.53E+06 7.66E+06 2.66E+06 7.59E+06 2.55E+06 1.22E+07 2.58E+06 1.23E+07 2.57E+06 7.57E+06 2.61E+06 1.9E+07 2.55E+06 1.39E+07 2.7E+06 1.21E+07 2.5E+06 1.18E+07 2.66E+06 1.24E+07 2.85E+06 1.16E+07 2.73E+06 7.92E+06 2.7E+06 1.25E+07 2.6E+06 1.1E+07 2.6E+06 1.13E+07 2.6E+06 1.15E+07 2.48E+06 7.56E+06 2.49E+06 1.18E+07 2.69E+06 7.66E+06 2.45E+06 7.62E+06 Probenecid 0 0 0 0 4.33E+03 1.59E+03 0 0 0 0 0 0 2.38E+03 863 0 0 0 0 2.97E+03 1.08E+03 0 0 0 0 0 0 0 0 3.09E+03 1.13E+03 0 0 0 0 0 0 3.95E+03 1.43E+03 0 0 Prostaglandin B1_1 5.27E+05 1.03E+07 4.97E+05 5.02E+06 5.23E+05 1.04E+07 5.27E+05 1.01E+07 5.05E+05 1.01E+07 5.34E+05 1.06E+07 5.06E+05 1.05E+07 5.36E+05 1.11E+07 5.13E+05 1.06E+07 5.16E+05 1.07E+07 4.77E+05 4.78E+06 4.88E+05 1.59E+06 4.69E+05 4.78E+06 5.08E+05 1.05E+07 5.1E+05 1.09E+07 5.5E+05 1.09E+07 4.87E+05 3.97E+06 4.86E+05 4.27E+06 4.73E+05 2.67E+06 5.12E+05 1.02E+07 Prostaglandin B1_2 1.27E+05 4.13E+05 1.28E+05 4.35E+05 1.41E+05 4.63E+05 1.19E+05 4.05E+05 1.23E+05 3.75E+05 1.24E+05 5E+05 1.39E+05 3.79E+05 1.28E+05 4.36E+05 1.27E+05 4.01E+05 1.34E+05 5.21E+05 1.32E+05 4.63E+05 1.32E+05 4.62E+05 1.33E+05 4.96E+05 1.15E+05 3.79E+05 1.37E+05 4.56E+05 1.41E+05 4.65E+05 1.18E+05 3.76E+05 1.18E+05 3.76E+05 1.3E+05 3.31E+05 1.13E+05 4.14E+05 Prosulfocarb 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2.61E+03 942 0 0 Protoanemonin 4.79E+05 1.26E+06 2E+06 2.11E+07 1.34E+06 1.91E+07 2.11E+06 2.16E+07 2.47E+06 2.28E+07 2.64E+06 2.29E+07 2.49E+06 2.33E+07 1.89E+06 2.16E+07 2.64E+06 2.3E+07 2.78E+06 2.38E+07 2.18E+06 2.26E+07 2.27E+06 2.22E+07 3.07E+06 2.43E+07 1.13E+06 1.87E+07 2.04E+06 2.25E+07 2.48E+06 2.28E+07 2.35E+06 2.26E+07 2.3E+06 2.23E+07 2.46E+06 2.23E+07 3.73E+05 9.86E+05 Psoralidin 2.9E+05 8.01E+05 2.64E+05 8.12E+05 2.78E+05 7.98E+05 2.88E+05 7.85E+05 2.64E+05 7.46E+05 2.5E+05 7.4E+05 2.77E+05 8.22E+05 2.82E+05 8.31E+05 2.9E+05 8.33E+05 2.68E+05 8.25E+05 2.85E+05 8.1E+05 2.83E+05 7.98E+05 3.1E+05 9.18E+05 2.82E+05 8.44E+05 3.03E+05 8.63E+05 3.06E+05 9E+05 2.58E+05 7.57E+05 2.8E+05 7.73E+05 2.8E+05 7.96E+05 2.85E+05 8.01E+05 PUTRESCINE 6.43E+03 2.26E+03 5.99E+03 5.41E+03 6.9E+03 3.83E+03 7.71E+03 2.03E+03 7.27E+03 4.5E+03 1.22E+04 4.19E+03 5.86E+03 5.83E+03 5.65E+03 3.59E+03 8.2E+03 1.36E+03 7.97E+03 2.75E+03 6.33E+03 4.49E+03 7.14E+03 4.03E+03 8.59E+03 2.8E+03 7.25E+03 4.25E+03 8.59E+03 2.94E+03 6.27E+03 2.17E+03 8.73E+03 3E+03 1.42E+04 2.46E+03 1.65E+04 1.03E+04 6.46E+03 2.21E+03 Pyraclonil 9E+05 1.86E+06 6.64E+05 1.64E+06 7.19E+05 1.53E+06 6.55E+05 1.42E+06 5.32E+05 1.05E+06 8.13E+05 1.9E+06 4.43E+05 1.02E+06 3.76E+05 8.34E+05 4.88E+05 1.05E+06 5.79E+05 1.33E+06 5.3E+05 1.12E+06 6.79E+05 1.61E+06 7.22E+05 1.42E+06 4.37E+05 1E+06 5.54E+05 1.19E+06 6.48E+05 1.33E+06 6.01E+05 1.29E+06 7.06E+05 1.56E+06 7.97E+05 4.94E+06 8.31E+05 1.8E+06 Pyrene 4.97E+05 1.14E+06 1.46E+04 5.07E+03 4.73E+05 1.12E+06 5.36E+03 3.41E+03 7.79E+03 3.47E+03 1.7E+04 1.48E+04 1.85E+04 3.2E+03 7.7E+03 1.34E+03 5.29E+05 1.25E+06 8.6E+03 6.34E+03 2.24E+04 1.64E+04 7.9E+03 2.95E+03 1.51E+04 1.09E+04 4.27E+05 1.04E+06 4.01E+03 1.39E+03 6.3E+03 7.59E+03 4.42E+05 9.48E+05 3.97E+03 1.38E+03 1.35E+04 1.34E+04 4.72E+05 1.17E+06 Pyridostigmine 4.32E+04 1.47E+05 2.93E+04 7.01E+04 3.95E+04 8.9E+04 2.9E+04 6.42E+04 2.52E+04 5.77E+04 2.49E+04 5.16E+04 2.44E+04 3.06E+04 1.88E+04 1.3E+04 2.61E+04 6.88E+04 1.91E+04 4.67E+04 2.6E+04 3.67E+04 1.48E+04 2.72E+04 1.48E+04 3.79E+03 3.23E+04 9.41E+04 3.43E+04 8.24E+04 1.98E+04 3.96E+04 3.1E+04 6.46E+04 2.26E+04 3.66E+04 1.86E+04 5.25E+04 4.93E+04 1.35E+05 Pyridoxine 1.82E+07 1.11E+08 1.78E+07 1.07E+08 1.79E+07 1.08E+08 1.7E+07 1.02E+08 1.73E+07 1.08E+08 1.82E+07 1.1E+08 1.82E+07 1.15E+08 1.57E+07 9.86E+07 1.75E+07 1.09E+08 1.84E+07 1.18E+08 1.82E+07 1.1E+08 1.86E+07 1.15E+08 1.81E+07 1.16E+08 1.64E+07 1.04E+08 1.74E+07 1.11E+08 1.78E+07 1.14E+08 1.71E+07 1.02E+08 1.61E+07 9.84E+07 1.6E+07 9.87E+07 1.84E+07 1.08E+08 Rabeprazole 1.68E+05 4.07E+05 4.46E+05 1.17E+06 1.68E+05 4.17E+05 4.62E+05 1.21E+06 5.49E+05 1.38E+06 6.37E+05 1.71E+06 5.78E+05 1.48E+06 4.67E+05 1.24E+06 2.23E+05 4.95E+05 6.12E+05 1.54E+06 4.37E+05 1.13E+06 4.67E+05 1.25E+06 5.57E+05 1.44E+06 1.84E+05 4.31E+05 5.01E+05 1.38E+06 5.16E+05 1.38E+06 2.22E+05 5.4E+05 4.41E+05 1.18E+06 7.46E+05 1.83E+06 1.76E+05 4.1E+05 Rhododendrin 1.17E+05 2.49E+05 1.41E+05 2.94E+05 1.13E+05 2.46E+05 1.1E+05 2.78E+05 1.35E+05 2.78E+05 1.38E+05 3.22E+05 1.53E+05 2.79E+05 1.47E+05 2.69E+05 1.1E+05 1.66E+05 1.71E+05 2.95E+05 1.3E+05 2.62E+05 1.48E+05 3.55E+05 1.16E+05 2.98E+05 1.23E+05 2.84E+05 1.21E+05 2.42E+05 1.18E+05 2.93E+05 1.22E+05 2.9E+05 1.25E+05 2.91E+05 1.52E+05 2.84E+05 1.19E+05 1.26E+05 Salicin 0 0 0 0 0 0 2.75E+03 989 0 0 2.75E+03 993 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3.15E+03 1.13E+03 0 0 0 0 0 0 0 0 0 0 2.99E+03 1.1E+03 Saphenic acid methyl ester 3.81E+03 1.32E+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 3.79E+03 1.32E+03 0 0 0 0 0 0 Simazine 4.64E+06 1.15E+07 8.86E+04 1.85E+05 4.63E+06 1.13E+07 6.2E+04 1.42E+05 1.02E+05 2.35E+05 1.33E+05 2.96E+05 1.22E+05 2.57E+05 1.38E+05 2.9E+05 4.99E+06 1.26E+07 1.41E+05 2.82E+05 1.54E+05 3.24E+05 1.1E+05 2.31E+05 1.57E+05 3.34E+05 4.14E+06 1.09E+07 5.95E+04 1.13E+05 7.66E+04 1.62E+05 4.07E+06 9.39E+06 4.53E+04 6.42E+04 1.05E+05 2.27E+05 4.8E+06 1.18E+07 Succinic anhydride 1.95E+05 9.39E+05 2.85E+04 9.21E+04 1.49E+05 8.13E+05 3.1E+04 9.36E+04 2.34E+04 1.2E+04 4.06E+04 3.19E+04 2.76E+04 6.34E+03 2.75E+04 1.32E+04 4.95E+04 1.7E+05 2.63E+04 2.46E+04 3.22E+04 2.12E+04 3.35E+04 1.09E+04 2.4E+04 1.81E+04 1.49E+05 7.61E+05 2.72E+04 2.9E+04 3.24E+04 2.6E+04 6.07E+04 1.87E+05 2.01E+04 1.07E+04 3.08E+04 1.8E+04 1.68E+05 8.49E+05 Sulcatone 6.31E+04 2.14E+05 5.53E+04 1.6E+05 6.2E+04 1.27E+05 6.19E+04 1.65E+05 6.05E+04 2.34E+05 6.89E+04 1.05E+05 5.89E+04 2.28E+05 6.45E+04 3.11E+05 5.28E+04 1.4E+05 6.04E+04 2.75E+05 5.27E+04 2.07E+05 6.05E+04 1.64E+05 5.2E+04 1.06E+05 5.35E+04 1.97E+05 5.91E+04 2.22E+05 6.51E+04 2.03E+05 1.04E+05 2.89E+05 5.9E+04 3.22E+05 6.74E+04 1.28E+05 5.57E+04 2.48E+05 Sulfamethazine 4.75E+05 1.17E+06 4.48E+05 1.14E+06 4.77E+05 1.21E+06 4.49E+05 1.14E+06 4.77E+05 1.13E+06 4.33E+05 1.11E+06 4.74E+05 1.19E+06 4.49E+05 1.15E+06 4.54E+05 1.18E+06 4.98E+05 1.19E+06 5.08E+05 1.12E+06 4.76E+05 1.18E+06 5.18E+05 1.16E+06 4.53E+05 1.13E+06 4.59E+05 1.12E+06 4.27E+05 1.15E+06 3.88E+05 1.07E+06 4.22E+05 1.1E+06 4.31E+05 1.09E+06 4.45E+05 1.08E+06 sym-Homospermidine 6.63E+03 2.28E+03 0 0 0 0 0 0 0 0 0 0 0 0 7.43E+03 2.53E+03 3.29E+03 1.15E+03 0 0 3.9E+03 1.38E+03 8.5E+03 2.87E+03 0 0 5.59E+03 1.92E+03 0 0 0 0 8.1E+03 2.72E+03 0 0 8.4E+03 2.83E+03 4.24E+03 1.5E+03 Tarennoside 8.18E+05 2.11E+06 2.23E+06 5.97E+06 8.56E+05 2.12E+06 2.38E+06 6.08E+06 2.62E+06 8.77E+06 3.23E+06 8.54E+06 2.82E+06 7.56E+06 2.44E+06 6.1E+06 9.62E+05 2.36E+06 2.95E+06 9.31E+06 2.23E+06 5.6E+06 2.42E+06 6.33E+06 2.93E+06 6.92E+06 8.48E+05 2.07E+06 2.53E+06 6.73E+06 2.52E+06 6.59E+06 1.1E+06 2.71E+06 2.18E+06 5.86E+06 3.56E+06 9.26E+06 8.49E+05 1.99E+06 Taurine 2.06E+04 1.44E+04 2.68E+04 3.41E+04 1.8E+04 7.95E+03 2.2E+04 1.35E+04 1.87E+04 2E+04 4.12E+04 3.81E+04 2.26E+04 1.1E+04 2.57E+04 9.63E+03 1.9E+04 4.84E+04 2.56E+04 1.56E+04 3.95E+04 1.44E+04 5.85E+04 4.48E+04 3.62E+04 2.63E+04 2.16E+04 1.56E+04 2.18E+04 2.38E+04 2.22E+04 1.71E+04 3.3E+04 4.75E+04 2.96E+04 2.56E+04 2.01E+04 3.84E+04 1.97E+04 1.02E+04 Terazosin 2.8E+03 1.01E+03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3.06E+03 1.11E+03 0 0 0 0 0 0 0 0 2.47E+03 896 0 0 0 0 0 0 0 0 0 0 0 0 Thiofanox 0 0 3.8E+07 8.36E+07 1.35E+04 4.71E+03 3.35E+07 7.88E+07 3.79E+07 8.65E+07 2.79E+07 6.24E+07 3.76E+07 8.63E+07 3.02E+07 7.27E+07 0 0 3.73E+07 8.91E+07 3.33E+07 7.98E+07 3.21E+07 7.69E+07 3.6E+07 8.67E+07 1.54E+04 5.2E+03 1.97E+07 4.59E+07 3.06E+07 7.26E+07 0 0 3.55E+07 8.24E+07 2.34E+07 5.58E+07 0 0 Tolbutamide 4.74E+03 1.69E+03 3.43E+03 1.22E+03 4.2E+03 1.49E+03 3.78E+03 1.36E+03 4.04E+03 1.44E+03 4.22E+03 1.51E+03 4.67E+03 1.63E+03 6.44E+03 2.26E+03 4.53E+03 1.61E+03 3.58E+03 1.26E+03 4.31E+03 1.51E+03 4.94E+03 1.74E+03 3.38E+03 1.22E+03 4.42E+03 1.55E+03 4.03E+03 1.44E+03 4.99E+03 1.76E+03 3.69E+03 667 4.23E+03 1.48E+03 0 0 3.28E+03 1.16E+03 Tos-Lys-CH2Cl 8.04E+06 8.51E+07 7.88E+06 8.62E+07 8.08E+06 8.64E+07 7.91E+06 8.6E+07 8.14E+06 8.56E+07 8.11E+06 8.68E+07 7.64E+06 8.27E+07 7.36E+06 8.19E+07 8.01E+06 8.12E+07 7.57E+06 8.28E+07 7.65E+06 8.22E+07 7.61E+06 8.25E+07 7.19E+06 7.97E+07 7.59E+06 8.12E+07 7.17E+06 7.86E+07 6.93E+06 7.95E+07 7.95E+06 8.63E+07 7.93E+06 8.6E+07 8.08E+06 8.58E+07 7.4E+06 8.38E+07 Toxyl angelate 1.22E+06 1.72E+06 9.81E+05 6.2E+05 1.28E+06 2.8E+07 1.09E+06 1.75E+07 1.21E+06 3.56E+07 1.36E+06 2.18E+07 1.28E+06 1.76E+07 1.01E+06 3.42E+05 1.14E+06 2.56E+07 1.28E+06 1.96E+07 1.02E+06 8.45E+05 1.14E+06 7.15E+05 8.56E+05 2.45E+07 1.01E+06 1.71E+05 8.74E+05 1.82E+07 4.76E+05 1.63E+05 1.21E+06 1.67E+07 9.71E+05 4.5E+05 1.25E+06 1.76E+07 1.31E+06 6.36E+05 trans-4-Hydroxycyclohexanecarboxylate 3.42E+04 4.69E+04 3.58E+04 3.27E+04 3.19E+04 5.95E+04 2.48E+04 1.42E+04 3.11E+04 4.05E+04 3.69E+04 4.46E+04 2.69E+04 1.52E+04 2.65E+04 3.19E+04 2.17E+04 3.15E+04 2.88E+04 4.69E+04 2.43E+04 3.32E+04 4.17E+04 5.02E+04 3.3E+04 4.64E+04 2.47E+04 1.93E+04 2.44E+04 3.87E+04 3.27E+04 4.75E+04 2.76E+04 3.37E+04 2.89E+04 4.22E+04 2.31E+04 3.18E+04 2.63E+04 4.07E+04 TRANS-CINNAMATE 2.3E+05 6.02E+05 2.08E+05 5.59E+05 2.4E+05 5.89E+05 2.34E+05 5.63E+05 2.62E+05 5.69E+05 2.34E+05 5.74E+05 2.59E+05 6.59E+05 2.7E+05 6.92E+05 2.66E+05 6.44E+05 2.58E+05 6E+05 2.67E+05 6.27E+05 2.51E+05 6.87E+05 2.76E+05 7.12E+05 2.98E+05 7.3E+05 2.74E+05 6.94E+05 2.76E+05 6.97E+05 2.03E+05 5.43E+05 2.21E+05 5.58E+05 2.38E+05 6.17E+05 2.45E+05 5.95E+05 Traumatic acid 1E+05 2.13E+05 8.66E+04 2.03E+05 8.52E+04 2.12E+05 8.16E+04 1.94E+05 1E+05 2.05E+05 8.21E+04 2.19E+05 9.69E+04 2.15E+05 8.53E+04 1.78E+05 8.41E+04 2.02E+05 9.5E+04 1.97E+05 8.68E+04 2.22E+05 8.12E+04 1.99E+05 7.69E+04 1.91E+05 8.5E+04 1.98E+05 8.52E+04 2.28E+05 8.1E+04 1.92E+05 9.1E+04 1.93E+05 9.19E+04 1.87E+05 8.65E+04 1.99E+05 8.5E+04 1.94E+05 Trimethylamine N-oxide 1.64E+04 1.62E+04 2.35E+04 5.29E+04 2.1E+04 2.27E+04 3.05E+04 2.39E+04 2.4E+04 5.14E+04 3.23E+04 6.11E+04 2.13E+04 4.64E+04 2.34E+04 1.26E+04 1.92E+04 1.32E+04 2.58E+04 6.32E+04 2.63E+04 4.96E+04 2.92E+04 3.82E+04 3.01E+04 4.57E+04 1.71E+04 4.42E+03 2.58E+04 6.49E+04 3.86E+04 9.99E+04 2.51E+04 4.17E+04 2.9E+04 3.71E+04 2.6E+04 4.46E+04 1.69E+04 3.98E+04 Tris(butoxyethyl)phosphate 1.51E+05 4.34E+05 1.73E+05 4.58E+05 1.76E+05 4.73E+05 1.52E+05 4.2E+05 1.68E+05 4.09E+05 1.64E+05 4.69E+05 1.66E+05 4.3E+05 1.36E+05 4.15E+05 1.57E+05 4.29E+05 1.67E+05 4.34E+05 1.54E+05 4.46E+05 1.41E+05 4.1E+05 1.53E+05 4.3E+05 1.45E+05 3.97E+05 1.59E+05 4.25E+05 1.4E+05 3.73E+05 1.82E+05 4.43E+05 2.96E+05 8.34E+05 1.64E+05 4.26E+05 1.41E+05 4.02E+05 Trisphaeridine 3.24E+03 1.17E+03 0 0 0 0 0 0 0 0 0 0 3.18E+03 1.15E+03 0 0 0 0 0 0 0 0 2.7E+03 973 0 0 2.85E+03 1.03E+03 0 0 0 0 0 0 3E+03 1.09E+03 0 0 3.3E+03 1.2E+03 Tropinone 6.73E+04 1.09E+05 6.71E+04 1.88E+05 7.93E+04 2.15E+05 6.77E+04 6.91E+04 9.73E+04 1.17E+05 7.5E+04 9.41E+04 8.47E+04 2.35E+05 8.19E+04 2.41E+05 7.73E+04 1.5E+05 8.97E+04 1.09E+05 8.74E+04 2.36E+05 7.19E+04 1.52E+05 6.88E+04 1.41E+05 7.25E+04 3.1E+05 7.51E+04 1.71E+05 8.17E+04 2.52E+05 5.72E+04 6.71E+04 5.68E+04 3.9E+04 6.71E+04 1.79E+05 8.05E+04 1.09E+05 Trp-P-1 1.24E+05 4.87E+05 1.17E+05 5.71E+05 1.39E+05 7.78E+05 1.12E+05 1.62E+05 1.06E+05 6.77E+05 9.84E+04 2.99E+05 1.11E+05 7.13E+05 1.08E+05 5.74E+05 1.15E+05 5.73E+05 1.26E+05 7.84E+05 1.01E+05 2.83E+05 1.28E+05 5.43E+05 1.06E+05 6.14E+05 1.2E+05 4.38E+05 1.12E+05 4.25E+05 1.13E+05 4.14E+05 9.7E+04 2.71E+05 9.72E+04 4.6E+05 9.37E+04 3.67E+05 9.59E+04 6.13E+05 Tyramine 1.44E+05 4.51E+05 1.3E+05 3.81E+05 1.47E+05 5.06E+05 1.39E+05 4.59E+05 1.49E+05 4.49E+05 1.47E+05 4.34E+05 1.61E+05 5.61E+05 1.51E+05 4.51E+05 1.76E+05 5.03E+05 1.6E+05 3.28E+05 1.62E+05 4.46E+05 1.6E+05 5.32E+05 1.73E+05 5.46E+05 1.17E+05 3.97E+05 1.49E+05 4.46E+05 1.33E+05 4.33E+05 1.48E+05 4.88E+05 1.41E+05 4.47E+05 1.31E+05 4.25E+05 1.14E+05 3.35E+05 URACIL 1.35E+05 5.29E+05 4.68E+04 8.09E+04 1.12E+05 4.14E+05 3.77E+04 1.36E+05 3.33E+04 5.55E+03 5.11E+04 2.5E+05 3.08E+04 2.91E+04 3.27E+04 1.62E+04 5.65E+04 2.7E+05 4.74E+04 2.5E+04 4.31E+04 6.98E+03 4.63E+04 5.4E+04 4.54E+04 3.31E+04 8.94E+04 4.08E+05 5.03E+04 7.35E+04 3.66E+04 1.26E+05 6.14E+04 2.66E+05 5.01E+04 2.41E+05 5.11E+04 2E+05 1.49E+05 6.08E+05 Urate-3-ribonucleoside 3.01E+05 7.19E+05 2.96E+05 7.28E+05 2.7E+05 6.92E+05 2.68E+05 6.8E+05 3.07E+05 7.11E+05 2.61E+05 6.47E+05 3.18E+05 7.26E+05 2.88E+05 7.5E+05 2.89E+05 7.4E+05 2.82E+05 7.33E+05 2.89E+05 7.12E+05 3.07E+05 7.28E+05 2.73E+05 7.2E+05 3.17E+05 7.92E+05 2.64E+05 7.43E+05 3.04E+05 7.2E+05 2.39E+05 6.37E+05 2.44E+05 6.64E+05 2.37E+05 6.46E+05 2.64E+05 6.39E+05 UROCANATE 3.04E+04 6.46E+04 2.15E+04 5.49E+04 2.61E+04 2.43E+04 3.12E+04 1.03E+05 2.5E+04 8.29E+04 2.47E+04 5.73E+04 4.67E+04 7.27E+04 2.43E+04 3.81E+04 2.29E+04 1.26E+04 4.01E+04 1.33E+05 2.6E+04 4.89E+04 2.73E+04 7.5E+04 2.68E+04 5.44E+04 2.61E+04 6.51E+04 2.94E+04 5.39E+04 2.4E+04 5.99E+04 2.28E+04 6.32E+04 1.92E+04 1.8E+04 1.84E+04 3.61E+04 3.28E+04 1.02E+05 Xanthan 1.39E+06 4.38E+06 1.38E+06 1.43E+07 1.36E+06 4.22E+06 1.26E+06 4.1E+06 1.38E+06 1.96E+07 1.39E+06 1.64E+07 1.27E+06 1.87E+07 1.34E+06 4.26E+06 1.39E+06 4.44E+06 1.31E+06 1.65E+07 1.3E+06 1.55E+07 1.31E+06 1.74E+07 1.3E+06 1.44E+07 1.34E+06 4.26E+06 1.34E+06 1.32E+07 1.35E+06 1.48E+07 1.28E+06 3.97E+06 1.34E+06 4.07E+06 1.27E+06 2.08E+07 1.23E+06 3.81E+06 Xanthine 1.23E+05 4.88E+05 5.2E+04 1.06E+05 8.98E+04 3.79E+05 5.47E+04 2.03E+05 4.58E+04 9.03E+04 3.24E+04 7.76E+04 3.67E+04 1.13E+05 2.83E+04 7.3E+04 4.31E+04 1.69E+05 2.79E+04 8.5E+04 2.94E+04 9.86E+04 2.36E+04 6.36E+04 1.45E+04 2.41E+04 7.13E+04 2.48E+05 3.88E+04 1.6E+05 4.01E+04 8.11E+04 3.41E+04 1.24E+05 2.09E+04 2.16E+04 3.15E+04 9.35E+04 9.71E+04 3.71E+05 Yellow OB 1.82E+05 1.97E+06 2.1E+05 2.61E+06 2.07E+05 2.59E+06 1.9E+05 1.6E+06 2.07E+05 2.06E+06 2.05E+05 1.77E+06 2.17E+05 5.61E+05 2.1E+05 6.69E+05 2.05E+05 5.58E+05 1.99E+05 2.58E+06 2.15E+05 1.23E+06 1.88E+05 6.99E+05 2.07E+05 9.52E+05 1.91E+05 4.6E+05 2.02E+05 1.39E+06 2.21E+05 2.26E+06 1.86E+05 4.89E+05 1.85E+05 5.84E+05 1.78E+05 6.18E+05 2.06E+05 6.1E+05 Zeatin 5.8E+06 1.04E+07 4.85E+06 2.4E+07 5.42E+06 1.02E+07 4.95E+06 2.07E+07 5.44E+06 2.48E+07 5.51E+06 2.03E+07 5.26E+06 2.62E+07 4.25E+06 8.65E+06 5.17E+06 9.51E+06 5.21E+06 2.38E+07 4.62E+06 2.96E+07 5.49E+06 1.06E+07 4.61E+06 3.17E+07 4.92E+06 9.13E+06 4.33E+06 8.64E+06 4.81E+06 4.23E+07 5.54E+06 1.1E+07 4.88E+06 9.58E+06 4.78E+06 2.01E+07 5.63E+06 1.09E+07 Zingerone 7.81E+06 4.18E+07 8.74E+06 4.17E+07 8.51E+06 4.09E+07 8.31E+06 4.14E+07 8.08E+06 4.05E+07 8.7E+06 4.08E+07 8.64E+06 4.26E+07 8.64E+06 4.44E+07 8.65E+06 4.23E+07 8.28E+06 4.12E+07 8.33E+06 4.46E+07 8.15E+06 4.01E+07 8.41E+06 4.2E+07 8.65E+06 4.22E+07 8.65E+06 4.33E+07 8.47E+06 4.17E+07 8.17E+06 4.15E+07 8.07E+06 4E+07 8.27E+06 3.93E+07 8.05E+06 3.99E+07 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Retention Index PubChem CID KEGG ID mass spectrum (-)-Jasmonic acid 9.14 5281166 C08491 211.1329 (-)-Menthyl acetate 12.71 220674 C09870 199.1694 (+)-Bornane-2,5-dione 10.34 20218 C03037 167.1068 (+)-Camphor 10.60 2537 C00808 153.1276 (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol 14.32 NOT Found in Database C04875 294.2065 (3-Arylcarbonyl)-alanine 8.44 412786 C03450 194.0813 (3S,5S)-Carbapenam-3-carboxylic acid 1.08 6337945 C17367 156.0649 (9Z)-Octadecenoic acid 14.56 445639 C00712 283.2635 (9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid 13.66 5280720 C04717 313.2365 (9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid 14.72 5281117 C08318 297.2428 (E)-4-(Trimethylammonio)but-2-enoate 1.15 NOT Found in Database C04114 144.1021 (R)-Mevalonate 0.78 5288798 C00418 149.0822 (R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol 8.52 11954181 C15463 273.1671 (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate 1.17 24771808 C00450 128.0709 1,2,3-Trihydroxybenzene_1 0.79 1057 C01108 127.0393 1,2,3-Trihydroxybenzene_2 2.24 1057 C01108 127.0381 1,2,6-Hexanetriol_1 6.97 7823 C20334 135.1018 1,2,6-Hexanetriol_2 0.85 7823 C20334 135.1018 1,3,8-Naphthalenertriol 12.54 439428 C01173 177.0547 10-Hydroxycarbazepine 9.81 114709 C07493 255.1106 11-Aminoundecanoic acid 6.36 17083 C19325 202.1803 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide 7.90 228786 C14664 437.2337 11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione 13.96 243748 C14939 361.2345 13(S)-HPOT 12.08 5497123 C04785 311.2218 14-Dihydroxycornestin 11.94 5281160 C08483 309.1310 16-Feruloyloxypalmitate 13.88 44237331 C18217 449.2870 17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one 13.80 235498 C15175 318.2401 1'-Acetoxyeugenol acetate 12.03 4484222 C10427 265.1047 1H-Imidazole-4-methanol_1 14.17 1745 C05562 99.0559 1H-Imidazole-4-methanol_2 14.66 1745 C05562 99.0559 1-Octanal 12.48 454 C01545 129.1277 1-Palmitoylglycerophosphocholine 13.63 86555 C04102 497.3442 1-Phenylethylamine 7.30 7408 C02455 122.0967 2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate 11.22 255266 C15056 327.1416 2,2-Dichloro-1,1-ethanediol_1 4.70 85275 C14860 130.9661 2,2-Dichloro-1,1-ethanediol_2 5.16 85275 C14860 130.9663 2,2-Dichloro-1,1-ethanediol_3 0.14 85275 C14860 130.9660 2,2-Dichloro-1,1-ethanediol_4 1.63 85275 C14860 130.9657 2,3-Dihydroxybenzoate 2.69 54675818 C00196 155.0331 2,3-Dimethylmaleate 0.79 3032309 C00922 145.0497 2,5-Dichloro-4-oxohex-2-enedioate 0.71 5282172 C12835 226.9512 2,6-Diamino-7-hydroxy-azelaic acid 10.75 443585 C12025 235.1307 2-Aceto-2-hydroxybutanoate 7.76 21 C00659 147.0654 2-Aminoadenosine 11.67 72200 C00939 283.1177 2'-DEOXYGUANOSINE 5.95 187790 268.1040 2-Ethylhexyl phthalate_1 14.83 NOT Found in Database C03343 279.1588 2-Ethylhexyl phthalate_2 13.66 NOT Found in Database C03343 279.1590 2-Furoate 1.10 5460151 C01546 113.0228 2-Hydroxy-2,4-pentadienoate_1 0.82 54675827 C00596 115.0389 2-Hydroxy-2,4-pentadienoate_2 6.61 54675827 C00596 115.0393 2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine 8.55 104954 C20286 241.1078 2-Hydroxycyclohexan-1-one 8.01 10785 C01147 115.0753 2-Hydroxymethylclavam 0.79 3050259 C17357 144.0657 2-Maleylacetate 2.17 5280500 C02222 159.0279 2-Methylpropanamine 0.01 6558 C02787 74.0972 2-Nitrofuran 1.95 11865 C14414 114.0180 2-Oxooctadecanoic acid 15.08 439332 C00869 299.2582 2-Oxosuberate 7.76 146903 C16589 189.0741 2-Thiophenesulfonamide 0.04 72881 C14764 163.9839 3-(2-Hydroxyphenyl)propanoate 13.52 6930705 C01198 167.0704 3,4-Dihydroxyphenylethyleneglycol 6.79 91528 C05576 171.0640 3,4-Methylenedioxymethamphetamine 6.73 1615 C07577 194.1180 3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_1 13.27 15944652 C20199 239.1275 3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_2 9.62 15944652 C20199 239.1255 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al 15.88 439479 C01301 435.3477 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone 0.73 53665 C19205 216.9206 3-Chloro-D-alanine 0.54 439771 C02634 124.0152 3-Dehydroquinate 7.89 439351 C00944 191.0531 3-Isopropylcatechol 8.80 16498 C01014 153.0912 3-Methyl-2-oxobutanoic acid_1 0.83 49 C00141 117.0550 3-Methyl-2-oxobutanoic acid_2 2.06 49 C00141 117.0550 3-Methyleneoxindole 7.76 150946 C02796 146.0602 3-Phosphonooxypyruvate 0.04 5460375 C03232 184.9858 3-Sulfocatechol 1.80 9543247 C06336 191.0004 4-Acetamidobutanoate 1.11 6991994 C02946 146.0814 4-Amino-2-hydroxylamino-6-nitrotoluene 0.96 9543061 C16403 184.0727 4-AMINOBUTANOATE 0.84 119 104.0712 4-Aminobutyraldehyde_1 7.96 118 C00555 88.0764 4-Aminobutyraldehyde_2 8.48 118 C00555 88.0764 4-Aminobutyraldehyde_3 8.83 118 C00555 88.0764 4-Aminobutyraldehyde_4 0.66 118 C00555 88.0763 4-Fluorocyclohexadiene-cis,cis-1,2-diol 6.46 11829464 C16483 131.0493 4-Guanidinobutanal 1.79 25200663 C02647 130.0977 4-Guanidinobutanoate 1.78 500 C01035 146.0924 4-Hexyloxyphenol 12.60 29354 C14305 195.1383 4-Hydroxy-2-butynal 0.79 439778 C02648 85.0291 4-Hydroxy-2-quinolinecarboxylic acid 7.94 3845 C01717 190.0501 4'-Hydroxy-3'-prenylacetophenone 12.35 442916 C10702 205.1225 4-Methylene-L-glutamine 0.82 439401 C01109 159.0766 4-Oxocyclohexanecarboxylate 1.31 5460131 C03767 143.0690 4-Vinylcyclohexene 8.60 7499 C19310 109.1019 5,6-Dihydrothymine 0.94 93556 C00906 129.0662 5,6-Dihydrouracil 1.12 649 C00429 115.0507 5-Acetamidopentanoate 8.22 439903 C03087 160.0968 5-Amino-6-(5'-phosphoribosylamino)uracil 9.06 439462 C01268 355.0631 5-Aminopentanamide 0.94 439358 C00990 117.1027 5-AMINOPENTANOATE 1.19 138 118.0866 5-Methylthiopentanaldoxime 0.78 25010757 C17245 148.0799 5-OXO-L-PROLINE 1.97 7405 130.0502 5-Valerolactone 4.38 10953 C02240 101.0603 6-DEOXY-L-GALACTOSE 0.90 17106 187.0578 7-Dehydrodesmosterol 16.33 440558 C05107 383.3312 8-Amino-7-oxononanoate 1.63 173 C01092 188.1289 8-Deoxylactucin 11.17 442196 C09392 261.1101 9,12,13-TriHOME 11.19 9858729 C14833 331.2479 Acetyl phosphate 0.04 186 C00227 140.9960 Acremoauxin A 13.21 441556 C08468 324.1420 Acridine 0.83 9215 C20141 180.0812 ADENINE 1.65 190 136.0621 ADENOSINE 5'-MONOPHOSPHATE 1.79 6083 348.0699 AGMATINE SULFATE 0.76 199 131.1295 alpha-Sinensal 14.44 5281534 C09729 219.1745 Alprazolam 14.05 2118 C06817 309.0921 Apigenin 7,4'-dimethyl ether 1.99 5281601 C10019 299.0898 Aplysin 2.17 99997 C17132 295.0663 Artecanin 9.43 442147 C09302 279.1203 Azelaic acid 9.34 2266 C08261 189.1127 Bakkenolide A 14.33 442173 C09350 235.1692 Beclomethasone 12.51 20469 C06842 409.1747 Bensulfuron-methyl 14.03 54960 C10937 411.0937 Benzofuran 10.67 9223 C14512 119.0495 Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate 7.76 440386 C04561 209.1180 Benzyl alcohol 8.94 244 C00556 109.0653 Benzylpenicilloic acid 8.98 98994 C16672 353.1164 Bergapten 1.97 2355 C01557 109.0289 BETA-ALANINE 0.78 239 90.0557 beta-Carboline 10.56 64961 C20157 169.0756 beta-Cotonefuran 9.53 441781 C08740 305.0996 Betamethasone 7.74 9782 C06848 393.2099 Bis(chloromethyl) ether 4.54 10967 C19158 114.9717 Boschnialactone 9.83 442420 C09772 155.1068 Botrydial 12.30 185781 C09622 311.1852 Buddledin A_1 14.65 5281514 C09623 277.1785 Buddledin A_2 12.24 5281514 C09623 277.1793 Bufanolide 14.11 115047 C19660 359.2950 Burseran 12.18 276155 C10547 387.1807 Butabarbital 1.06 2479 C07827 213.1224 Butanal 11.72 261 C01412 73.0656 Butanoic acid 2.33 264 C00246 89.0604 Butoctamide hydrogen succinate 8.36 2486 C12946 316.2116 Calcitriol 15.86 5280453 C01673 417.3358 Calcium L-aspartate 7.60 30465 C13058 171.9930 Callytriol C 7.59 10593857 C17005 349.1829 Calystegin B2 0.63 443000 C10851 176.0920 Chlorpromazine N-oxide_1 13.43 443037 C10966 335.0996 Chlorpromazine N-oxide_2 8.20 443037 C10966 335.0995 Cholesterol sulfate 17.15 65076 C18043 467.3175 Cinnamaldehyde 8.85 637511 C00903 133.0651 cis-1,2-Dihydro-3-ethylcatechol_1 13.25 441155 C06727 141.0911 cis-1,2-Dihydro-3-ethylcatechol_2 7.52 441155 C06727 141.0911 cis-2-Carboxycyclohexyl-acetic acid 6.99 656884 C14112 187.0948 CITRULLINE 0.84 9750 174.0874 Convallasaponin A 13.70 441883 C08893 581.3669 Creatine 0.71 586 C00300 132.0770 CREATININE 1.01 588 114.0666 Creatinine 0.96 588 C00791 112.0511 Cuauhtemone 11.14 442357 C09645 253.1796 Cycasin 11.17 5459896 C01418 253.1050 Cyclohex-2-enone 7.85 13594 C02395 97.0655 Cyclohexane-1,3-dione 7.25 10434 C01066 113.0601 Cyclohexylamine 6.67 7965 C00571 100.1126 Cyclopentanone 1.56 8452 C00557 85.0655 Cyclopiazonic acid 10.98 54682463 C03032 337.1543 Cycluron 10.80 16554 C19109 199.1806 D-(-)-ARABINOSE 0.83 66308 173.0421 D-Arabinono-1,4-lactone 8.80 17723 C00652 149.0449 Debrisoquin_1 0.74 2966 C13650 176.1183 Debrisoquin_2 8.49 2966 C13650 176.1182 Deethylatrazine 7.76 22563 C06559 188.0707 Deidaclin 11.63 73604 C08329 272.1147 Devazepide 12.18 443375 C11710 409.1628 Diacetyl 2.28 650 C00741 87.0448 Diallyl disulfide 7.71 16590 C08369 147.0311 Dichloromethane_1 2.69 6344 C02271 84.9604 Dichloromethane_2 3.75 6344 C02271 84.9604 Dichloromethane_3 4.95 6344 C02271 84.9604 DIETHANOLAMINE 0.79 8113 106.0867 Diethylene glycol 8.91 8117 C14689 107.0707 Digitalose 7.83 192798 C08235 179.0897 Dihydroanhydropodorhizol 11.15 442835 C10557 401.1587 Dihydrosanguinarine 10.95 124069 C05191 334.1074 Diisopropyl phthalate 8.99 11799 C14468 251.1256 Dikegulac 7.14 65420 C18825 275.1098 Dimetacrine tartrate 12.18 94279 C12959 445.2336 Dimethylbenzimidazole 1.72 675 C03114 147.0917 Dinotefuran 1.34 197701 C18509 203.1140 Dipropyl disulfide 1.54 12377 C08373 151.0619 Disulfiram 3.31 3117 C01692 297.0571 D-MANNOSAMINE 0.80 440049 180.0867 Dodecanamide 12.63 14256 C13831 200.2010 Dodemorph 16.19 61899 C18786 282.2791 Dopaquinone 11.52 439316 C00822 196.0595 D-Xylonate 0.83 5460056 C00502 167.0566 Elaeokanine C 10.13 442855 C10592 212.1646 Eprosartan 11.97 5281037 C07467 425.1568 epsilon-Caprolactam 7.20 7768 C06593 114.0918 Ethephon 16.96 27982 C18399 144.9823 Ethosuximide 7.98 3291 C07505 142.0864 Ethyl 3-(N-butylacetamido)propionate 8.70 104150 C18830 216.1597 Ethyl tiglate 8.12 5281163 C08487 129.0913 Euxanthone 2.34 5281631 C10061 229.0513 Fagomine 1.27 72259 C10144 148.0970 Ferimzone 11.79 9013425 C18579 255.1590 Flumioxazin 8.98 92425 C11035 355.1120 Fluoroacetate 0.35 5236 C06108 79.0186 Fomepizole 17.11 3406 C07837 83.0611 Fosetyl 17.51 6328134 C18401 111.0207 Furfural diethyl acetal 9.34 83553 C14280 171.1015 gamma-Coniceine 7.27 442632 C10138 126.1280 gamma-Glutamyl-beta-aminopropiononitrile 2.03 440920 C06114 200.1030 Gentamicin C1a 13.87 72396 C00908 450.2909 Gibberellin A12 aldehyde 8.43 193542 C06093 317.2086 Glutathione 14.05 124886 C00051 308.0886 GLYCINE 0.76 750 76.0401 Goniothalenol 9.89 343590 C09930 233.0786 Graphinone 9.83 442372 C09674 297.1675 Guanfacine 9.06 3519 C07037 246.0213 Guanidinoacetate 1.12 763 C00581 118.0611 GUANINE 1.62 764 152.0559 Gyromitrin 17.50 9548611 C08305 101.0717 Harmalol 0.62 5353656 C06537 201.1006 Hercynine 10.89 5459798 C05575 199.1330 Hetacillin 10.51 443387 C11729 390.1497 Heteropyrithiamine 9.68 439786 C02691 202.1226 Hexylamine 6.64 8102 C08306 102.1281 Hippurate 7.99 464 C01586 180.0669 Histamine 0.78 774 C00388 112.0873 Hymexazol O-glucoside 11.82 NOT Found in Database C11102 262.0913 Hypoxanthine 6.27 790 C00262 137.0459 Indole-3-acetaldehyde 6.88 800 C00637 160.0756 Inosine 6.27 6021 C00294 269.0883 Isobutyronitrile 1.79 6559 C02420 70.0659 Isoniazid 1.96 3767 C07054 138.0653 Jasmone 11.29 1549018 C08490 165.1276 L-ARGININE 0.74 6322 175.1192 L-CARNITINE 1.04 10917 162.1124 L-Cysteate 1.31 72886 C00506 170.0126 L-Cystine 0.74 67678 C00491 241.0309 Levetiracetam 6.44 5284583 C07841 171.1129 L-GLUTAMINE 0.78 5961 147.0766 L-HISTIDINE 0.74 6274 156.0769 Lichenin 0.80 439241 C00478 163.0602 Linustatin 12.18 119301 C08333 410.1656 L-LYSINE 0.68 5962 147.1130 L-METHIONINE 1.54 6137 150.0584 L-Methionine S-oxide 0.83 158980 C02989 166.0535 Lophocerine 11.42 442313 C09571 250.1780 Lovastatin 13.94 53232 C07074 405.2617 L-Phenylalanine 6.45 6140 C00079 166.0863 L-PROLINE 0.92 145742 116.0710 L-THREONINE 0.81 6288 120.0659 L-Tryptophan 7.76 6305 C00078 205.0972 L-Tyrosine 3.65 6057 C00082 182.0814 Mandipropamid 10.46 11292824 C18522 412.1324 MANNOSE 0.80 18950 203.0528 Melamine 3.18 7955 C08737 127.0736 Melatonin 9.92 896 C01598 233.1284 Melithiazol A 12.44 23724543 C15696 423.1410 Menadiol 10.62 10209 C07126 175.0755 Methyl 2-diazoacetamidohexonate 7.77 439447 C01223 215.1255 Methyleugenol 13.23 7127 C10454 179.1069 Methylguanidine 0.95 10111 C02294 74.0721 Militarinone D 13.71 54691338 C12332 422.2365 Monodehydroascorbate 1.31 NOT Found in Database C01041 176.0300 N,N'-Diethylthiourea 0.97 2735009 C19400 133.0792 N1-Acetylspermidine 0.97 496 C00612 188.1759 N6-(delta2-Isopentenyl)-adenine 6.00 92180 C04083 204.1232 N6-Acetyl-N6-hydroxy-L-lysine 1.34 128888 C03955 205.1184 N-Acetyl-L-citrulline 0.87 656979 C15532 218.1129 N-Acetylornithine 1.13 439232 C00437 175.1077 N-Acetylputrescine 0.90 122356 C02714 131.1182 N-Acetylserotonin 0.96 903 C00978 219.1113 N-Cyclohexylformamide 2.99 13017 C11519 128.1074 N-Cyclopropylammeline 6.46 6321196 C14148 168.0867 N-Ethylglycocyamine 7.76 439826 C02852 208.1160 N-Ethylmaleimide 7.54 4362 C02441 126.0548 N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine 6.46 597195 C19872 167.0917 NICOTINAMIDE 1.74 936 123.0556 N-Methyl-2-pyrrolidinone 6.38 13387 C11118 100.0762 N-METHYL-D-ASPARTIC ACID 0.82 22880 148.0606 N-Methylpelletierine 6.71 86786 C06184 156.1385 N'-Nitrosoanabasine 7.91 14335 C19477 192.1130 N-Nitrosopiperidine 6.69 7526 C19284 115.0870 NORLEUCINE 2.74 21236 132.1021 N-Phosphohypotaurocyamine 1.97 16019959 C03624 232.0130 N-Succinyl-2-L-amino-6-oxoheptanedioate 5.95 440349 C04462 290.0860 N-Trimethyl-2-aminoethylphosphonate 8.58 1014 C06459 169.0861 N-Vinyl-2-pyrrolidone 6.77 6917 C19548 112.0761 Octylamine 8.46 8143 C01740 130.1594 Ornaline 10.62 4474580 C01683 263.1254 Orthophosphate_1 11.37 NOT Found in Database C00009 98.9848 Orthophosphate_2 10.94 NOT Found in Database C00009 98.9848 Orthophosphate_3 11.68 NOT Found in Database C00009 98.9848 Orthophosphate_4 10.56 NOT Found in Database C00009 98.9849 Ostruthin 14.32 5281420 C09281 299.1621 Otonecine 7.57 5281740 C10356 186.1127 Oxethazaine 17.17 4621 C12552 468.3206 Oxidized Latia luciferin 14.47 519382 C03527 195.1746 Pantothenate 8.23 6613 C00864 220.1161 Paspalinine 16.33 9867531 C20554 434.2297 Penicillin G 8.18 5904 C05551 335.1074 Penicillin K 12.14 12314049 C17403 343.1655 Pentadecane 0.66 12391 C08388 213.2568 Pentanamide 2.36 12298 C01842 102.0919 Pentylenetetrazole_1 0.74 5917 C13692 139.0980 Pentylenetetrazole_2 6.90 5917 C13692 139.0980 Phaseollidin 13.26 119268 C05230 325.1449 Phenazopyridine 11.00 4756 C07429 214.1070 Phendimetrazine 7.70 12460 C07904 192.1384 Phenmetrazine 7.41 4762 C07432 178.1227 Phenyl acetate 10.71 31229 C00548 137.0599 Phenylacetaldehyde_1 0.80 998 C00601 121.0653 Phenylacetaldehyde_2 12.36 998 C00601 121.0652 Phenylethyl alcohol 10.64 6054 C05853 123.0808 Phorbol 13-butanoate 16.37 439882 C03019 435.2335 Phosphoagmatine 8.28 72734288 C02726 211.0942 Phthalate_1 2.00 181977 C01606 167.0340 Phthalate_2 13.66 181977 C01606 167.0341 Phytuberin 12.89 442387 C09709 295.1901 PIPECOLATE 1.35 439227 130.0865 Piperideine 2.35 68161 C06181 84.0815 Piperidione 8.34 6465 C17730 170.1177 Pirimicarb 7.18 31645 C11079 239.1490 Precocene II 14.32 12565 C09018 221.1170 Probenecid 12.56 4911 C07372 286.1111 Prostaglandin B1_1 16.18 5280388 C00959 337.2349 Prostaglandin B1_2 12.67 5280388 C00959 337.2348 Prosulfocarb 1.21 62020 C18760 252.1441 Protoanemonin 0.79 66948 C07090 97.0291 Psoralidin 13.69 5281806 C10523 337.1045 PUTRESCINE 0.59 1045 89.1080 Pyraclonil 6.25 11563984 C18613 315.1118 Pyrene 8.11 31423 C14335 203.0875 Pyridostigmine 2.17 4991 C07410 182.1037 Pyridoxine 3.17 1054 C00314 170.0812 Rabeprazole 10.98 5029 C07864 360.1398 Rhododendrin 9.08 442538 C09965 329.1571 Salicin 12.36 439503 C01451 287.1144 Saphenic acid methyl ester 10.52 443634 C12118 283.1077 Simazine 8.10 5216 C11172 202.0839 Succinic anhydride 2.47 7922 C19524 101.0239 Sulcatone 8.86 9862 C07287 127.1121 Sulfamethazine 11.54 5327 C19530 279.0934 sym-Homospermidine 0.53 368 C06366 160.1809 Tarennoside 10.98 182279 C11654 359.1368 Taurine 0.64 1123 C00245 126.0232 Terazosin 12.50 5401 C07127 388.1963 Thiofanox 0.89 38235 C18652 219.1168 Tolbutamide 11.61 5505 C07148 271.1115 Tos-Lys-CH2Cl 10.95 73094 C00896 333.1040 Toxyl angelate 0.60 11953921 C08981 301.1423 trans-4-Hydroxycyclohexanecarboxylate 8.21 19034555 C04404 145.0857 TRANS-CINNAMATE 9.89 444539 149.0598 Traumatic acid 10.62 5283028 C16308 229.1434 Trimethylamine N-oxide 1.04 1145 C01104 76.0765 Tris(butoxyethyl)phosphate 13.71 6540 C14446 399.2511 Trisphaeridine 12.48 443684 C12182 224.0724 Tropinone 7.21 79038 C00783 140.1070 Trp-P-1 9.24 5284474 C19306 212.1184 Tyramine 7.11 5610 C00483 138.0916 URACIL 1.49 1174 113.0350 Urate-3-ribonucleoside 11.54 NOT Found in Database C05513 301.0757 UROCANATE 2.08 736715 139.0496 Xanthan 13.33 7107 C01464 183.0807 Xanthine 2.66 1188 C00385 153.0409 Yellow OB 7.17 8578 C19553 262.1344 Zeatin 6.76 449093 C00371 220.1177 Zingerone 13.52 31211 C17497 195.1016 METABOLITES_END #END