#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