#METABOLOMICS WORKBENCH amitch_20151221_9711101_mwtab.txt DATATRACK_ID:469 efahy_20151227_162517 STUDY_ID:ST000294 ANALYSIS_ID:AN000470 PROJECT_ID:PR000235
VERSION             	1
CREATED_ON             	December 27, 2015, 4:25 pm
#PROJECT
PR:PROJECT_TITLE                 	Mechanisms of Metabolic Cycles in Diapausing Flesh Fly by Metabolomics Approach
PR:PROJECT_TYPE                  	Time course
PR:PROJECT_SUMMARY               	Insects use diapause, a programmed period of dormancy, to avoid stressful times
PR:PROJECT_SUMMARY               	of the year and to exploit seasonal times of resource availability. Because most
PR:PROJECT_SUMMARY               	diapausing insects do not feed, they must live off their body reserves for
PR:PROJECT_SUMMARY               	several months and the proper use of metabolic reserves is critical for
PR:PROJECT_SUMMARY               	surviving diapause and performing after diapause termination. Across multiple
PR:PROJECT_SUMMARY               	insects, metabolic depression during diapause has been associated with a switch
PR:PROJECT_SUMMARY               	from aerobic metabolism to facultative anaerobic metabolism, despite insects not
PR:PROJECT_SUMMARY               	suffering environmental oxygen limitation. While metabolic rates are depressed
PR:PROJECT_SUMMARY               	during diapause overall to save energy, some insects show regular cyclical bouts
PR:PROJECT_SUMMARY               	of higher metabolic activity during diapause. The functional importance of these
PR:PROJECT_SUMMARY               	metabolic cycles and the mechanisms underlying these cycles are still unknown,
PR:PROJECT_SUMMARY               	but they may be critical for properly maintaining the balance between energy
PR:PROJECT_SUMMARY               	states and purge the accumulation of anaerobic metabolic byproducts. In the
PR:PROJECT_SUMMARY               	present study, we will test the hypothesis that periodic cycles of increased
PR:PROJECT_SUMMARY               	metabolism during insect diapause are associated with both regenerating
PR:PROJECT_SUMMARY               	organismal energetic states, particularly ATP that may decline during metabolic
PR:PROJECT_SUMMARY               	depression, and for purging metabolites associated with anaerobic metabolism. We
PR:PROJECT_SUMMARY               	will use a combination of non-targeted uHPLC-MS/MS metabolomics and targeted
PR:PROJECT_SUMMARY               	NMR-spectroscopy to identify and quantify metabolites that are altered during
PR:PROJECT_SUMMARY               	the cycles in diapausing pupae of the flesh fly, Sarcophaga crassipalpis. This
PR:PROJECT_SUMMARY               	work will allow us to propose specific biochemical and cellular hypotheses for
PR:PROJECT_SUMMARY               	the regulation of cyclic releases from metabolic depression in diapausing
PR:PROJECT_SUMMARY               	insects. Our work may not only reveal the physiological mechanisms regulating
PR:PROJECT_SUMMARY               	metabolic cycles during diapause in flesh fly, but also provide insight to
PR:PROJECT_SUMMARY               	understand the regulation of similar metabolic cycles in mammalian hibernators
PR:PROJECT_SUMMARY               	(i.e., periodic arousal), and also provide insights into how these cycles could
PR:PROJECT_SUMMARY               	be exploited to disrupt the diapause of insect pests.
PR:INSTITUTE                     	The Institute of Food and Agricultural Sciences
PR:DEPARTMENT                    	Department of Entomology and Nematology
PR:LAST_NAME                     	Hahn
PR:FIRST_NAME                    	Daniel
PR:ADDRESS                       	P.O. Box 110620 Gainesville FL 32611-0620
PR:EMAIL                         	dahahn@ufl.edu
PR:PHONE                         	352-273-3968
#STUDY
ST:STUDY_TITLE                   	Mechanisms of Metabolic Cycles in Diapausing Flesh Fly by Metabolomics Approach
ST:STUDY_TYPE                    	time course
ST:STUDY_SUMMARY                 	Insects use diapause, a programmed period of dormancy, to avoid stressful times
ST:STUDY_SUMMARY                 	of the year and to exploit seasonal times of resource availability. Because most
ST:STUDY_SUMMARY                 	diapausing insects do not feed, they must live off their body reserves for
ST:STUDY_SUMMARY                 	several months and the proper use of metabolic reserves is critical for
ST:STUDY_SUMMARY                 	surviving diapause and performing after diapause termination. Across multiple
ST:STUDY_SUMMARY                 	insects, metabolic depression during diapause has been associated with a switch
ST:STUDY_SUMMARY                 	from aerobic metabolism to facultative anaerobic metabolism, despite insects not
ST:STUDY_SUMMARY                 	suffering environmental oxygen limitation. While metabolic rates are depressed
ST:STUDY_SUMMARY                 	during diapause overall to save energy, some insects show regular cyclical bouts
ST:STUDY_SUMMARY                 	of higher metabolic activity during diapause. The functional importance of these
ST:STUDY_SUMMARY                 	metabolic cycles and the mechanisms underlying these cycles are still unknown,
ST:STUDY_SUMMARY                 	but they may be critical for properly maintaining the balance between energy
ST:STUDY_SUMMARY                 	states and purge the accumulation of anaerobic metabolic byproducts. In the
ST:STUDY_SUMMARY                 	present study, we will test the hypothesis that periodic cycles of increased
ST:STUDY_SUMMARY                 	metabolism during insect diapause are associated with both regenerating
ST:STUDY_SUMMARY                 	organismal energetic states, particularly ATP that may decline during metabolic
ST:STUDY_SUMMARY                 	depression, and for purging metabolites associated with anaerobic metabolism. We
ST:STUDY_SUMMARY                 	will use a combination of non-targeted uHPLC-MS/MS metabolomics and targeted
ST:STUDY_SUMMARY                 	NMR-spectroscopy to identify and quantify metabolites that are altered during
ST:STUDY_SUMMARY                 	the cycles in diapausing pupae of the flesh fly, Sarcophaga crassipalpis. This
ST:STUDY_SUMMARY                 	work will allow us to propose specific biochemical and cellular hypotheses for
ST:STUDY_SUMMARY                 	the regulation of cyclic releases from metabolic depression in diapausing
ST:STUDY_SUMMARY                 	insects. Our work may not only reveal the physiological mechanisms regulating
ST:STUDY_SUMMARY                 	metabolic cycles during diapause in flesh fly, but also provide insight to
ST:STUDY_SUMMARY                 	understand the regulation of similar metabolic cycles in mammalian hibernators
ST:STUDY_SUMMARY                 	(i.e., periodic arousal), and also provide insights into how these cycles could
ST:STUDY_SUMMARY                 	be exploited to disrupt the diapause of insect pests.
ST:INSTITUTE                     	University of Florida
ST:DEPARTMENT                    	SECIM
ST:LAST_NAME                     	Chen
ST:FIRST_NAME                    	Chao
ST:ADDRESS                       	Department of Entomology and Nematology, Bldg. 970, 1881 Natural Area Dr.,
ST:ADDRESS                       	Gainesville, FL 32611
ST:EMAIL                         	chaochenjxau@126.com
ST:PHONE                         	352-273-3949
ST:NUM_GROUPS                    	5
ST:TOTAL_SUBJECTS                	45
#SUBJECT
SU:SUBJECT_TYPE                  	Insect
SU:SUBJECT_SPECIES               	Sarcophaga crassipalpis
SU:GENOTYPE_STRAIN               	Lab colony
SU:AGE_OR_AGE_RANGE              	15-25 day pupae
SU:WEIGHT_OR_WEIGHT_RANGE        	110-130 mg
SU:ANIMAL_ANIMAL_SUPPLIER        	lab colony
SU:ANIMAL_HOUSING                	sterilite containers
SU:ANIMAL_LIGHT_CYCLE            	10:14 L:D
SU:ANIMAL_FEED                   	beef liver
SU:ANIMAL_INCLUSION_CRITERIA     	must be in diapause
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	B1P101	Phase:ED	
SUBJECT_SAMPLE_FACTORS           	-	B1P102	Phase:ED	
SUBJECT_SAMPLE_FACTORS           	-	B1P105	Phase:ED	
SUBJECT_SAMPLE_FACTORS           	-	B1P203	Phase:LD	
SUBJECT_SAMPLE_FACTORS           	-	B1P202	Phase:LD	
SUBJECT_SAMPLE_FACTORS           	-	B1P205	Phase:LD	
SUBJECT_SAMPLE_FACTORS           	-	B1P301	Phase:AD	
SUBJECT_SAMPLE_FACTORS           	-	B1P305	Phase:AD	
SUBJECT_SAMPLE_FACTORS           	-	B1P306	Phase:AD	
SUBJECT_SAMPLE_FACTORS           	-	B1P402	Phase:IBA	
SUBJECT_SAMPLE_FACTORS           	-	B1P403	Phase:IBA	
SUBJECT_SAMPLE_FACTORS           	-	B1P406	Phase:IBA	
SUBJECT_SAMPLE_FACTORS           	-	B1P504	Phase:EN	
SUBJECT_SAMPLE_FACTORS           	-	B1P505	Phase:EN	
SUBJECT_SAMPLE_FACTORS           	-	B1P506	Phase:EN	
SUBJECT_SAMPLE_FACTORS           	-	B2P101	Phase:ED	
SUBJECT_SAMPLE_FACTORS           	-	B2P102	Phase:ED	
SUBJECT_SAMPLE_FACTORS           	-	B2P103	Phase:ED	
SUBJECT_SAMPLE_FACTORS           	-	B2P201	Phase:LD	
SUBJECT_SAMPLE_FACTORS           	-	B2P202	Phase:LD	
SUBJECT_SAMPLE_FACTORS           	-	BEP203	Phase:LD	
SUBJECT_SAMPLE_FACTORS           	-	B2P301	Phase:AD	
SUBJECT_SAMPLE_FACTORS           	-	B2P302	Phase:AD	
SUBJECT_SAMPLE_FACTORS           	-	B2P304	Phase:AD	
SUBJECT_SAMPLE_FACTORS           	-	B2P401	Phase:IBA	
SUBJECT_SAMPLE_FACTORS           	-	B2P402	Phase:IBA	
SUBJECT_SAMPLE_FACTORS           	-	B2P403	Phase:IBA	
SUBJECT_SAMPLE_FACTORS           	-	B2P502	Phase:EN	
SUBJECT_SAMPLE_FACTORS           	-	B2P503	Phase:EN	
SUBJECT_SAMPLE_FACTORS           	-	B2P504	Phase:EN	
SUBJECT_SAMPLE_FACTORS           	-	B3P103	Phase:ED	
SUBJECT_SAMPLE_FACTORS           	-	B3P105	Phase:ED	
SUBJECT_SAMPLE_FACTORS           	-	B3P106	Phase:ED	
SUBJECT_SAMPLE_FACTORS           	-	B3P202	Phase:LD	
SUBJECT_SAMPLE_FACTORS           	-	B3P204	Phase:LD	
SUBJECT_SAMPLE_FACTORS           	-	B3P205	Phase:LD	
SUBJECT_SAMPLE_FACTORS           	-	B3P302	Phase:AD	
SUBJECT_SAMPLE_FACTORS           	-	B3P303	Phase:AD	
SUBJECT_SAMPLE_FACTORS           	-	B3P304	Phase:AD	
SUBJECT_SAMPLE_FACTORS           	-	B3P402	Phase:IBA	
SUBJECT_SAMPLE_FACTORS           	-	B3P403	Phase:IBA	
SUBJECT_SAMPLE_FACTORS           	-	B3P404	Phase:IBA	
SUBJECT_SAMPLE_FACTORS           	-	B3P503	Phase:EN	
SUBJECT_SAMPLE_FACTORS           	-	B3P504	Phase:EN	
SUBJECT_SAMPLE_FACTORS           	-	B3P506	Phase:EN	
#COLLECTION
CO:COLLECTION_SUMMARY            	Pupae were sampled at the appropriate time point and flash frozen in liquid
CO:COLLECTION_SUMMARY            	nitrogen. Pupae were stored at -80C until extraction.
CO:COLLECTION_PROTOCOL_COMMENTS  	Samples were homogenized in ice cold 80% methanol and centrifuged. Supernatant
CO:COLLECTION_PROTOCOL_COMMENTS  	was retained and stored at -80C until analysis.
CO:SAMPLE_TYPE                   	whole fly
CO:COLLECTION_METHOD             	flash freezing in liquid nitrogen
CO:COLLECTION_LOCATION           	Hahn Lab, 3137 Steinmetz
CO:COLLECTION_FREQUENCY          	Daily
CO:COLLECTION_TIME               	see treatments
CO:VOLUMEORAMOUNT_COLLECTED      	one pupa per sample
CO:STORAGE_CONDITIONS            	-80C
CO:COLLECTION_VIALS              	1.5 ml microcentrifuge tubes
CO:STORAGE_VIALS                 	1.5 ml microcentrifuge tubes
CO:COLLECTION_TUBE_TEMP          	room temperature
#TREATMENT
TR:TREATMENT_SUMMARY             	ED=Early metabolic depression (48h) LD=Late metabolic depression (144h)
TR:TREATMENT_SUMMARY             	AD=Arousing from metabolic depression (6h) IBA=Interbout arousal (15h)
TR:TREATMENT_SUMMARY             	EN=Entering metabolic depression (30h)
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	This sample set is FleshFly tissue. The samples were received dried and frozen.
SP:SAMPLEPREP_SUMMARY            	The samples were reconstituted in 1 mL 90:10 Water:Acetonitrile then diluted
SP:SAMPLEPREP_SUMMARY            	10x.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Scientific-Dionex Ultimate 3000
CH:COLUMN_NAME                   	ACE Excel 2 C18-PFP (100 x 2.1mm, 2um)
CH:METHODS_FILENAME              	Metabolomics_LCMSProtocol.pdf
#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	B2P103	B1P305	B3P303	B3P202	B2P304	B2P202	B2P504	B2P502	B2P402	B3P402	B1P105	B1P306	B1P403	B2P102	BEP203	B3P106	B1P402	B3P503	B3P403	B1P505	B1P301	B1P102	B2P101	B2P201	B1P101	B2P503	B1P202	B1P203	B1P504	B3P404	B3P103	B2P301	B1P205	B2P403	B3P304	B3P302	B3P205	B2P302	B2P401	B1P406	B3P105	B3P504	B1P506	B3P506	B3P204
Factors	Phase:ED	Phase:AD	Phase:AD	Phase:LD	Phase:AD	Phase:LD	Phase:EN	Phase:EN	Phase:IBA	Phase:IBA	Phase:ED	Phase:AD	Phase:IBA	Phase:ED	Phase:LD	Phase:ED	Phase:IBA	Phase:EN	Phase:IBA	Phase:EN	Phase:AD	Phase:ED	Phase:ED	Phase:LD	Phase:ED	Phase:EN	Phase:LD	Phase:LD	Phase:EN	Phase:IBA	Phase:ED	Phase:AD	Phase:LD	Phase:IBA	Phase:AD	Phase:AD	Phase:LD	Phase:AD	Phase:IBA	Phase:IBA	Phase:ED	Phase:EN	Phase:EN	Phase:EN	Phase:LD
(-)-Menthyl acetate	6.53E+05	6.34E+05	6.25E+05	6.15E+05	6.6E+05	6.84E+05	6.6E+05	5.4E+05	6.09E+05	6.45E+05	6.31E+05	6.83E+05	7.08E+05	5.66E+05	6.69E+05	6.05E+05	6.56E+05	6.5E+05	6.33E+05	6.15E+05	6.76E+05	6.31E+05	6.84E+05	6.51E+05	6.53E+05	6.65E+05	6.49E+05	6.32E+05	6.5E+05	7.31E+05	6.26E+05	6.52E+05	6.3E+05	6.84E+05	6.47E+05	6.85E+05	6.79E+05	5.98E+05	6.94E+05	6.47E+05	6.36E+05	6.31E+05	6.5E+05	6.57E+05	6.03E+05
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	7.67E+05	6.97E+05	7.19E+05	6.76E+05	5.81E+05	6.62E+05	6.71E+05	7.25E+05	7.17E+05	7.16E+05	6.68E+05	6.89E+05	7.41E+05	7.03E+05	6.95E+05	6.46E+05	6.55E+05	7.19E+05	7.32E+05	7.04E+05	6.23E+05	6.64E+05	6.94E+05	6.2E+05	6.39E+05	6.56E+05	7.64E+05	7.19E+05	6.13E+05	6.76E+05	6.43E+05	6.7E+05	7.36E+05	6.99E+05	7.25E+05	6.45E+05	7.16E+05	7.85E+05	7.47E+05	6.8E+05	7.02E+05	7.01E+05	7.33E+05	7.1E+05	7.24E+05
(9Z)-Octadecenoic acid	4.88E+04	5.23E+04	1.41E+05	2.13E+05	5.53E+04	5.59E+04	5.85E+04	6.16E+04	5.61E+04	1.6E+05	4.81E+04	5.41E+04	4.84E+04	4.92E+04	5.49E+04	8.78E+04	5.38E+04	2.31E+05	1.21E+05	4.61E+04	4.77E+04	4.49E+04	6.81E+04	4.75E+04	5.3E+04	5.79E+04	5.03E+04	5.84E+04	4.63E+04	1.12E+05	1.42E+05	5.44E+04	4.85E+04	5.72E+04	9.94E+04	2.49E+05	3.69E+05	5.18E+04	5.18E+04	4.95E+04	1.45E+05	6.56E+04	3.93E+04	5.16E+05	1.16E+05
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate	4.56E+07	4.8E+07	4.57E+07	4.73E+07	4.92E+07	4.88E+07	4.56E+07	4.54E+07	4.48E+07	4.61E+07	4.35E+07	4.73E+07	4.83E+07	4.74E+07	4.38E+07	4.79E+07	4.4E+07	4.35E+07	4.81E+07	4.38E+07	4.54E+07	4.85E+07	4.31E+07	4.32E+07	4.5E+07	4.41E+07	4.74E+07	4.63E+07	4.52E+07	4.74E+07	4.35E+07	4.51E+07	4.61E+07	4.91E+07	4.59E+07	4.61E+07	4.56E+07	4.56E+07	4.41E+07	5.11E+07	4.83E+07	4.82E+07	4.84E+07	5E+07	4.67E+07
(R)-Mevalonate	1.07E+06	5.19E+05	6.15E+05	5.97E+05	6.76E+05	5.91E+05	1.34E+06	1.31E+06	4.72E+05	1.03E+06	8.64E+05	7.18E+05	1.09E+06	9.95E+05	3.94E+05	1.55E+06	8.49E+05	1.28E+06	1.1E+06	1.34E+06	4.91E+05	5.91E+05	1.21E+06	2.12E+05	8.87E+05	1.13E+06	4.48E+05	5.83E+05	1.63E+06	9.71E+05	1.1E+06	6.69E+05	7.34E+05	6.81E+05	8.59E+05	6.98E+05	7.33E+05	3.73E+05	7.43E+05	9.72E+05	1.52E+06	1.01E+06	1.62E+06	1.82E+06	6.94E+05
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate	2.16E+05	1.94E+05	3.3E+05	3.17E+05	3.16E+05	3.06E+05	3.04E+05	4.15E+05	2.2E+05	3.06E+05	2.71E+05	3.12E+05	3.34E+05	2.09E+05	2.33E+05	3.91E+05	2.28E+05	2.39E+05	3.43E+05	2.26E+05	2E+05	8.08E+04	2.72E+05	1.19E+05	1.37E+05	2.05E+05	2.03E+05	1.89E+05	3.01E+05	2.89E+05	2.34E+05	1.86E+05	2.93E+05	1.59E+05	2.64E+05	2.37E+05	2.87E+05	1.23E+05	1.45E+05	2.5E+05	3.56E+05	2.83E+05	4.12E+05	6.86E+05	3.79E+05
1,2,3-Trihydroxybenzene	2.92E+06	2.91E+06	3.19E+06	3.76E+06	4.11E+06	4.25E+06	4.56E+06	4.5E+06	3.67E+06	3.16E+06	3.78E+06	5.29E+06	4E+06	4E+06	3.74E+06	4.95E+06	3.64E+06	4.11E+06	4.04E+06	3.03E+06	2.54E+06	1.5E+06	5.03E+06	2.19E+06	2.95E+06	4.25E+06	3.4E+06	2.91E+06	4.85E+06	3.72E+06	4.21E+06	2.87E+06	4.87E+06	2.76E+06	3.76E+06	3.65E+06	4.9E+06	2.61E+06	3.12E+06	3.97E+06	4.62E+06	3.08E+06	4.3E+06	5.15E+06	4E+06
1,2,6-Hexanetriol_1	5.94E+05	6.35E+05	7.35E+05	7.55E+05	7.52E+05	8.87E+05	8.02E+05	7.94E+05	7.69E+05	9.2E+05	9.42E+05	1.37E+06	9.44E+05	6.39E+05	8.82E+05	1.19E+06	1.01E+06	1E+06	1.04E+06	6.2E+05	7.2E+05	7.27E+05	7.79E+05	5.78E+05	6.59E+05	8.36E+05	8.8E+05	7.19E+05	1.61E+06	1.07E+06	1.11E+06	5.6E+05	2.21E+06	7.95E+05	8.08E+05	1.01E+06	1.56E+06	6.33E+05	6.78E+05	9.58E+05	9.59E+05	6.5E+05	8.14E+05	1.82E+06	8.16E+05
1,2,6-Hexanetriol_2	1.01E+06	2.02E+05	3.03E+07	1.76E+07	2.99E+06	3.15E+05	2.93E+07	1.19E+07	5.26E+06	2.15E+07	1.53E+04	1.87E+06	6.79E+06	1.35E+05	1.32E+05	1.02E+05	1.31E+05	4.74E+05	2.84E+05	8.41E+05	2.55E+06	2.32E+05	2.85E+07	9.31E+04	2.8E+07	2.6E+04	1.12E+07	5.15E+04	3.33E+04	1.28E+06	8.03E+04	7.99E+04	9.91E+04	2.7E+07	2.87E+05	6.14E+04	1.9E+05	1.11E+05	5.46E+04	5.84E+04	3.05E+07	3.09E+07	2.83E+07	2.97E+07	3.09E+07
1,4-Dithiane	7.46E+05	8.1E+05	6.74E+05	7.57E+05	6.29E+05	8.24E+05	8.48E+05	7.88E+05	8.68E+05	7.65E+05	8.18E+05	5.77E+05	5.61E+05	8.45E+05	8.95E+05	7.58E+05	6.66E+05	7.6E+05	8.04E+05	9.01E+05	8.37E+05	9.33E+05	7.41E+05	8.93E+05	8.64E+05	7.46E+05	7.69E+05	8.32E+05	5.73E+05	9.63E+05	6.32E+05	6.9E+05	4.66E+05	8.64E+05	7.05E+05	6.03E+05	5.92E+05	9.45E+05	7.74E+05	5.87E+05	9.6E+05	8.17E+05	6.16E+05	4.92E+05	7.06E+05
11-Aminoundecanoic acid	1.91E+06	1.78E+06	1.01E+06	1.21E+06	1.85E+06	1.42E+06	1.3E+06	1.56E+06	1.68E+06	1.25E+06	1.78E+06	1.89E+06	1.19E+06	1.3E+06	1.52E+06	2.06E+06	1.34E+06	1.95E+06	1.41E+06	1.7E+06	1.68E+06	8.02E+05	1.76E+06	1.49E+06	1.5E+06	1.76E+06	1.25E+06	1.26E+06	1.54E+06	1.25E+06	1.48E+06	1.32E+06	1.33E+06	9.77E+05	1.39E+06	1.26E+06	1.45E+06	8.55E+05	1.32E+06	1.95E+06	1.35E+06	1.01E+06	1.21E+06	1.51E+06	1.1E+06
16-Feruloyloxypalmitate	1.32E+06	1.29E+06	1.36E+06	1.45E+06	1.38E+06	1.31E+06	1.31E+06	1.27E+06	1.26E+06	1.32E+06	1.27E+06	1.22E+06	1.25E+06	1.26E+06	1.36E+06	1.28E+06	1.31E+06	1.24E+06	1.27E+06	1.29E+06	1.2E+06	1.28E+06	1.32E+06	1.32E+06	1.31E+06	1.31E+06	1.32E+06	1.4E+06	1.27E+06	1.28E+06	1.21E+06	1.25E+06	1.14E+06	1.25E+06	1.26E+06	1.17E+06	1.17E+06	1.22E+06	1.28E+06	1.05E+06	1.38E+06	1.65E+06	1.42E+06	1.34E+06	1.42E+06
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine	8.77E+05	7.97E+05	1.2E+06	8.18E+05	9.93E+05	6.46E+05	6.64E+05	5.65E+05	1.12E+06	9.2E+04	6.31E+05	8.48E+04	5.56E+05	1.13E+06	5.46E+05	6.47E+05	2.73E+05	4.52E+04	3.94E+05	4.07E+04	1.09E+06	4.09E+05	3.68E+05	2.88E+05	3.2E+05	3.51E+05	3.05E+05	3.63E+05	4.76E+05	5.75E+04	1.12E+06	2.31E+04	2.51E+05	3.28E+05	1.09E+05	3.51E+04	9.63E+05	4.47E+05	2.9E+05	2.75E+04	0	1.88E+03	1.8E+05	0	1.5E+05
1H-Imidazole-4-methanol_1	1.42E+06	1.47E+06	1.41E+06	1.41E+06	1.4E+06	1.43E+06	1.46E+06	1.42E+06	1.46E+06	1.43E+06	1.46E+06	1.44E+06	1.43E+06	1.43E+06	1.48E+06	1.44E+06	1.43E+06	1.48E+06	1.46E+06	1.45E+06	1.45E+06	1.46E+06	1.46E+06	1.45E+06	1.46E+06	1.47E+06	1.45E+06	1.43E+06	1.46E+06	1.43E+06	1.45E+06	1.44E+06	1.42E+06	1.47E+06	1.43E+06	1.44E+06	1.43E+06	1.46E+06	1.42E+06	1.42E+06	1.42E+06	1.43E+06	1.4E+06	1.4E+06	1.41E+06
1H-Imidazole-4-methanol_2	1.37E+06	1.42E+06	1.4E+06	1.4E+06	1.36E+06	1.43E+06	1.42E+06	1.42E+06	1.41E+06	1.43E+06	1.42E+06	1.4E+06	1.4E+06	1.42E+06	1.45E+06	1.44E+06	1.41E+06	1.45E+06	1.42E+06	1.44E+06	1.44E+06	1.4E+06	1.43E+06	1.44E+06	1.43E+06	1.44E+06	1.43E+06	1.42E+06	1.46E+06	1.41E+06	1.43E+06	1.43E+06	1.41E+06	1.42E+06	1.42E+06	1.44E+06	1.42E+06	1.43E+06	1.42E+06	1.42E+06	1.42E+06	1.39E+06	1.39E+06	1.4E+06	1.38E+06
1-Octanal	6.19E+05	5.82E+05	6.2E+05	5.75E+05	5.4E+05	5.88E+05	5.81E+05	5.79E+05	6.09E+05	6.31E+05	6.3E+05	5.74E+05	6.09E+05	5.81E+05	5.71E+05	6.1E+05	6.39E+05	6.04E+05	6.29E+05	6.26E+05	6.25E+05	6.11E+05	6.07E+05	6.17E+05	5.78E+05	5.72E+05	6.07E+05	6.34E+05	6.66E+05	6.19E+05	6.34E+05	6.49E+05	6.27E+05	6.79E+05	6.14E+05	6.16E+05	5.98E+05	6.13E+05	5.97E+05	6.13E+05	6.38E+05	6.23E+05	5.75E+05	5.79E+05	5.91E+05
2-(6'-Methylthio)hexylmalic acid	3.98E+06	3.2E+06	2.01E+06	3.16E+06	7.7E+06	7.33E+06	6.02E+06	7.24E+06	6.76E+06	1.87E+06	4.58E+06	7.07E+06	5.19E+06	5.47E+06	6.25E+06	3.88E+06	3.89E+06	1.96E+06	2.64E+06	2.72E+06	3.05E+06	9.36E+05	5.55E+06	3.58E+06	2.73E+06	6.25E+06	4.07E+06	2.98E+06	6.8E+06	1.78E+06	2.99E+06	4.93E+06	7.98E+06	3.95E+06	2.55E+06	2.29E+06	5.86E+06	3.81E+06	4.75E+06	5.89E+06	3.86E+06	1.26E+06	5.97E+06	4.79E+06	2.83E+06
2,2-Dichloro-1,1-ethanediol_1	1.61E+06	1.55E+06	1.59E+06	1.52E+06	1.55E+06	1.59E+06	1.6E+06	1.56E+06	1.59E+06	1.6E+06	1.58E+06	1.58E+06	1.62E+06	1.59E+06	1.65E+06	1.58E+06	1.63E+06	1.6E+06	1.59E+06	1.64E+06	1.69E+06	1.7E+06	1.66E+06	1.64E+06	1.77E+06	1.69E+06	1.7E+06	1.7E+06	1.7E+06	1.71E+06	1.7E+06	1.67E+06	1.69E+06	1.69E+06	1.67E+06	1.91E+06	1.94E+06	1.67E+06	1.77E+06	1.91E+06	1.59E+06	1.54E+06	1.59E+06	1.6E+06	1.56E+06
2,2-Dichloro-1,1-ethanediol_2	1.18E+06	8.71E+05	1.16E+06	9.92E+05	9.11E+05	9.5E+05	9.6E+05	9.9E+05	1.06E+06	1.53E+06	8.39E+05	8.5E+05	1.12E+06	8.85E+05	1.05E+06	9.48E+05	1.31E+06	1.02E+06	1.21E+06	9.57E+05	1.45E+06	9.8E+05	1.15E+06	1.05E+06	9.72E+05	1E+06	1.05E+06	9.93E+05	3.29E+06	1.12E+06	9.83E+05	9.51E+05	9.32E+05	9.95E+05	9.44E+05	9.63E+05	9.18E+05	1E+06	9.85E+05	1.03E+06	9.39E+05	1.12E+06	9.81E+05	1.15E+06	9.69E+05
2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate	2.62E+05	2.9E+05	4.83E+05	3.23E+05	4.57E+05	1.93E+03	1.83E+03	5.85E+05	2.73E+05	3.95E+05	1.78E+05	3.17E+05	4.73E+05	1.64E+05	1.83E+03	6.5E+05	2.22E+03	1.68E+05	3.21E+05	1.45E+05	3.62E+05	5.88E+05	1.67E+05	2.1E+05	2.17E+03	2E+03	2.06E+05	9.79E+04	1.86E+05	2.2E+05	8.43E+04	7.63E+04	5.49E+05	6.19E+05	1.4E+05	1.24E+05	0	4.87E+05	2.8E+03	9.66E+04	0	0	7.22E+05	2.62E+03	5.97E+05
2,3-Dimethylmaleate	3.7E+06	3.6E+06	3.87E+06	4.46E+06	5.29E+06	4.87E+06	5.13E+06	5.2E+06	4.57E+06	3.73E+06	4.27E+06	5.82E+06	4.69E+06	4.8E+06	4.64E+06	6E+06	4.37E+06	4.69E+06	4.88E+06	3.67E+06	3.3E+06	1.91E+06	5.94E+06	3E+06	3.63E+06	4.82E+06	4.16E+06	3.75E+06	5.65E+06	4.74E+06	5.2E+06	3.67E+06	6.03E+06	3.68E+06	4.57E+06	4.66E+06	5.67E+06	3.47E+06	3.78E+06	4.61E+06	5.13E+06	3.7E+06	5.1E+06	6.17E+06	4.71E+06
2,4-Diamino-6-nitrotoluene	7.68E+05	6.46E+05	5.67E+05	6.06E+05	9.34E+05	7.99E+05	7.41E+05	6.55E+05	6.96E+05	5.69E+05	6.3E+05	4.99E+05	6.63E+05	7.34E+05	7.61E+05	5.76E+05	5.8E+05	5.12E+05	4.46E+05	6.06E+05	6.53E+05	7.08E+05	6.49E+05	7.69E+05	6.38E+05	6.18E+05	6.16E+05	5.16E+05	4.45E+05	5.13E+05	5.16E+05	6.31E+05	6.33E+05	7.87E+05	4.9E+05	5.59E+05	3.9E+05	8.99E+05	7.34E+05	7.08E+05	5.86E+05	5.5E+05	5.99E+05	4.31E+05	5.39E+05
2,4-Diaminotoluene	4.52E+05	4.94E+05	4.3E+05	4.33E+05	4.19E+05	4.33E+05	4.71E+05	4.11E+05	5.11E+05	4.86E+05	5.12E+05	4.72E+05	4.9E+05	5.64E+05	5.55E+05	4.98E+05	6.01E+05	5.72E+05	4.72E+05	5.77E+05	5.04E+05	5.57E+05	5.32E+05	5.67E+05	5.85E+05	5.08E+05	5.11E+05	5.36E+05	5.43E+05	5.79E+05	6.2E+05	5.34E+05	5.77E+05	5.46E+05	5.79E+05	5.79E+05	5.73E+05	6.76E+05	5.64E+05	6.61E+05	3.86E+05	3.88E+05	4.26E+05	4.33E+05	4.29E+05
2,5-Dichloro-4-oxohex-2-enedioate_1	2.35E+06	2.27E+06	2.05E+06	1.99E+06	1.96E+06	2.84E+06	2.13E+06	1.99E+06	1.51E+06	2.47E+06	2.26E+06	2.13E+06	1.89E+06	1.94E+06	1.77E+06	2.51E+06	2.39E+06	2.63E+06	2.01E+06	1.86E+06	2.04E+06	1.81E+06	2.36E+06	1.74E+06	2.22E+06	2.57E+06	2E+06	2.16E+06	2.69E+06	2.54E+06	2.39E+06	2.16E+06	2.61E+06	1.77E+06	2.55E+06	2.12E+06	2.44E+06	1.6E+06	1.81E+06	2.3E+06	2.48E+06	2E+06	2.33E+06	3.19E+06	2.46E+06
2,5-Dichloro-4-oxohex-2-enedioate_2	1.48E+06	1.43E+06	1.42E+06	1.41E+06	1.56E+06	1.44E+06	1.73E+06	1.54E+06	1.69E+06	1.51E+06	1.55E+06	1.61E+06	1.64E+06	1.87E+06	1.83E+06	1.59E+06	1.58E+06	1.64E+06	1.53E+06	1.92E+06	1.72E+06	1.55E+06	1.52E+06	1.71E+06	1.83E+06	1.8E+06	1.63E+06	1.83E+06	1.68E+06	1.51E+06	1.87E+06	1.76E+06	1.62E+06	1.7E+06	1.61E+06	1.73E+06	1.77E+06	1.9E+06	1.88E+06	1.61E+06	1.45E+06	1.61E+06	1.45E+06	1.4E+06	1.71E+06
2,5-Dioxopentanoate	1.69E+06	2.38E+06	1.84E+06	2.9E+06	2.81E+06	4.23E+06	2.26E+06	2.28E+06	1.92E+06	2.41E+06	2.68E+06	2.72E+06	2.42E+06	2.89E+06	2.39E+06	2.68E+06	2.22E+06	1.9E+06	2.25E+06	1.59E+06	1.58E+06	9.03E+05	2.87E+06	1.46E+06	1.19E+06	2.41E+06	2.36E+06	2.29E+06	2.63E+06	2.15E+06	1.83E+06	1.71E+06	3.73E+06	1.51E+06	2.56E+06	3.02E+06	3.47E+06	1.76E+06	1.72E+06	2.3E+06	2.6E+06	1.48E+06	2.28E+06	3.06E+06	3.42E+06
2,5-Furandicarboxylate	3.79E+06	2.87E+06	3.59E+06	3.75E+06	3.35E+06	5.59E+06	3.12E+06	4.77E+06	4.59E+06	3.86E+06	4.66E+06	5.38E+06	2.89E+06	4.23E+06	4.4E+06	5.25E+06	2.88E+06	5.02E+06	2.4E+06	3.5E+06	3.7E+06	2.92E+06	4.7E+06	3.26E+06	4.14E+06	3.76E+06	4.15E+06	2.64E+06	6.25E+06	3.26E+06	5.31E+06	2.89E+06	6.13E+06	2.01E+06	3.83E+06	4.94E+06	3.7E+06	3.45E+06	1.69E+06	2.66E+06	4.86E+06	3.14E+06	4.33E+06	6.75E+06	3.18E+06
2-Aceto-2-hydroxybutanoate_1	7.54E+05	7.22E+05	6.57E+05	8.3E+05	7.16E+05	7.34E+05	7.07E+05	6.81E+05	7.25E+05	6.5E+05	7.12E+05	7.32E+05	6.93E+05	7.37E+05	6.84E+05	6.98E+05	6.72E+05	7.05E+05	7.7E+05	7.04E+05	6.61E+05	7.71E+05	6.72E+05	7.31E+05	7.48E+05	6.28E+05	8.19E+05	7.07E+05	6.89E+05	7.26E+05	6.29E+05	6.91E+05	6.72E+05	6.53E+05	7.22E+05	7.31E+05	6.53E+05	6.82E+05	6.76E+05	6.99E+05	8.14E+05	7.79E+05	7.57E+05	7.04E+05	7.61E+05
2-Aceto-2-hydroxybutanoate_2	3.79E+05	2.91E+05	4.08E+05	4.7E+05	3.51E+05	3.9E+05	4.1E+05	4.73E+05	3.57E+05	3.87E+05	4.06E+05	5.58E+05	4.22E+05	4.27E+05	4.18E+05	9.12E+05	4.01E+05	3.43E+05	3.73E+05	2.4E+05	3.34E+05	2.22E+05	5.1E+05	2.72E+05	2.34E+05	3.35E+05	2.73E+05	3.63E+05	4.22E+05	3.97E+05	4.22E+05	3E+05	5.63E+05	2.76E+05	3.61E+05	4.01E+05	3.82E+05	2.47E+05	2.91E+05	3.59E+05	5.13E+05	2.2E+05	5.04E+05	3.81E+05	2.94E+05
2-Aminophenol	3.51E+05	4.46E+05	5.18E+05	6.23E+05	5.54E+05	5.77E+05	6.07E+05	6.92E+05	6.08E+05	6.41E+05	5.47E+05	8.45E+05	6.75E+05	5.36E+05	5.93E+05	8.06E+05	6.09E+05	6.29E+05	6.9E+05	4.88E+05	5.12E+05	2.34E+05	6.34E+05	3.33E+05	5.49E+05	5.69E+05	6.12E+05	4.7E+05	7.9E+05	7E+05	6.74E+05	4.86E+05	8.82E+05	4.87E+05	6.72E+05	7.79E+05	8.5E+05	4.74E+05	4.52E+05	6.01E+05	7.43E+05	4.59E+05	6.86E+05	8.01E+05	5.11E+05
2-Ethylhexyl phthalate	5.56E+06	5.09E+06	5.28E+06	5.12E+06	5.2E+06	5.2E+06	5.22E+06	4.73E+06	5.32E+06	5.44E+06	5.17E+06	5.38E+06	5.49E+06	4.92E+06	5.54E+06	5.3E+06	5.29E+06	5.11E+06	5.11E+06	5.54E+06	5.39E+06	5.27E+06	5.62E+06	5.09E+06	5.37E+06	5.01E+06	5.24E+06	5.12E+06	5.37E+06	5.31E+06	5.41E+06	5.32E+06	5.39E+06	5.1E+06	5.22E+06	5.43E+06	5.19E+06	5.15E+06	5.32E+06	5.19E+06	4.83E+06	5.36E+06	5.08E+06	5.01E+06	5.35E+06
2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate	9.96E+05	1.23E+06	1.38E+06	1.27E+06	1.81E+06	1.3E+06	1.14E+06	1.52E+06	1.46E+06	1.58E+06	1.33E+06	1.82E+06	1.26E+06	1.12E+06	1.47E+06	1.43E+06	1.14E+06	1.2E+06	1.78E+06	8.59E+05	1.05E+06	6.17E+05	1.68E+06	7.85E+05	7.91E+05	1.33E+06	9.37E+05	9E+05	1.66E+06	1.44E+06	1.29E+06	1.08E+06	1.7E+06	8.93E+05	1.27E+06	1.51E+06	1.71E+06	9.22E+05	1.52E+06	1.29E+06	1.79E+06	1.31E+06	1.58E+06	1.88E+06	1.35E+06
2-Hydroxycyclohexan-1-one	7.14E+04	5.92E+04	8.15E+04	7.73E+04	6.28E+04	6.89E+04	6.29E+04	7.08E+04	7.22E+04	6.56E+04	6.81E+04	5.81E+04	7E+04	7.07E+04	6.72E+04	7.5E+04	6.68E+04	6.86E+04	8.15E+04	7.95E+04	5.59E+04	6.62E+04	7.13E+04	6.96E+04	6.43E+04	6.64E+04	6.34E+04	6.66E+04	6.69E+04	7.43E+04	6.22E+04	7.16E+04	7.16E+04	6.88E+04	8.32E+04	6.97E+04	7.35E+04	6.26E+04	7.02E+04	7.08E+04	7.75E+04	8.14E+04	6.62E+04	7.83E+04	7.15E+04
2-Hydroxyfelbamate	1.1E+07	1.47E+07	1.26E+07	1.27E+07	1.26E+07	1.19E+07	1.28E+07	1.31E+07	1.28E+07	1.51E+07	1.7E+07	1.91E+07	1.62E+07	1.23E+07	1.34E+07	1.39E+07	1.5E+07	1.23E+07	1.43E+07	1.3E+07	1.63E+07	9.67E+06	1.35E+07	1.17E+07	1.39E+07	1.39E+07	1.41E+07	1.51E+07	1.89E+07	1.34E+07	1.24E+07	1.31E+07	1.81E+07	9.94E+06	1.35E+07	1.44E+07	1.53E+07	1.13E+07	1.12E+07	1.56E+07	1.7E+07	1.03E+07	1.67E+07	1.3E+07	1.2E+07
2-Methoxyestrone 3-sulfate	6.61E+05	8.53E+05	8.43E+05	7.78E+05	1.28E+06	9.28E+05	8.79E+05	1.19E+06	9.97E+05	1.23E+06	8.89E+05	1.64E+06	8.98E+05	7.85E+05	1.24E+06	1.05E+06	7.97E+05	8.71E+05	1.48E+06	6E+05	7E+05	4.02E+05	1.38E+06	5.92E+05	6.28E+05	1.09E+06	6.21E+05	6.1E+05	1.38E+06	1.12E+06	9E+05	7.72E+05	1.35E+06	6.55E+05	1.05E+06	1.22E+06	1.51E+06	6.66E+05	1.22E+06	9.84E+05	1.29E+06	8.1E+05	1.06E+06	1.49E+06	8.17E+05
2-Methylpropanamine	4.87E+06	6.19E+06	5.65E+06	5.25E+06	6.27E+06	5.89E+06	5.81E+06	5.23E+06	7.05E+06	6.05E+06	6.11E+06	5.87E+06	8.05E+06	9.3E+06	8.38E+06	6.66E+06	8.2E+06	9.02E+06	6.64E+06	9.54E+06	7.98E+06	8.73E+06	9.22E+06	8.33E+06	8.24E+06	7.96E+06	8.2E+06	8.31E+06	8.18E+06	8.5E+06	8.48E+06	9.13E+06	9.14E+06	9.11E+06	8.26E+06	9.9E+06	9.94E+06	9.27E+06	9.1E+06	1E+07	5.47E+06	5.22E+06	5.52E+06	5.41E+06	5.62E+06
2-Naphthylamine	3.9E+05	1.34E+05	5.86E+05	1.74E+06	2.93E+05	3.03E+05	3.38E+05	3E+05	5.49E+05	7.97E+05	1.72E+05	1.88E+05	1.79E+05	1.23E+05	4.3E+05	7.26E+05	1.55E+05	2.58E+06	8.01E+05	1.14E+05	1.09E+05	8.05E+04	6.42E+05	3.14E+05	1.02E+05	4.04E+05	1.68E+05	1.11E+05	1.76E+05	3.04E+05	6.91E+05	2.31E+05	1.7E+05	3.47E+05	4.67E+05	1.46E+06	2.6E+06	4.56E+05	3.72E+05	1.58E+05	6.86E+05	6.22E+05	1.34E+05	2.99E+06	6.57E+05
2-Oxosuberate	1.21E+06	1.55E+06	1.85E+06	1.86E+06	2.31E+06	1.83E+06	1.87E+06	2.16E+06	1.69E+06	1.91E+06	1.97E+06	2.86E+06	2.01E+06	1.67E+06	1.83E+06	2.28E+06	1.67E+06	1.86E+06	1.88E+06	1.3E+06	1.3E+06	6.43E+05	2.08E+06	1.01E+06	1.21E+06	1.59E+06	1.79E+06	1.5E+06	2.69E+06	1.84E+06	1.81E+06	1.38E+06	3.05E+06	1.48E+06	1.87E+06	1.98E+06	2.59E+06	1.3E+06	1.36E+06	2.49E+06	2.15E+06	1.34E+06	2.12E+06	2.85E+06	1.83E+06
2-Thiophenesulfonamide	8.61E+05	7.79E+05	8.68E+05	8.64E+05	8.99E+05	8.19E+05	8.61E+05	7.97E+05	7.68E+05	7.82E+05	7.54E+05	7.92E+05	8.05E+05	8.09E+05	7.89E+05	7.25E+05	7.77E+05	7.15E+05	7.73E+05	7.26E+05	7.23E+05	8.78E+05	7.85E+05	7.72E+05	7.72E+05	9.35E+05	7.77E+05	6.98E+05	7.12E+05	7.56E+05	8.56E+05	7.65E+05	7.02E+05	7.77E+05	7.7E+05	7.29E+05	6.85E+05	7.45E+05	7.17E+05	7.85E+05	7.85E+05	8.93E+05	9.12E+05	8.94E+05	8.56E+05
3-(2-Hydroxyphenyl)propanoate	6.24E+05	5.92E+05	7.15E+05	6.69E+05	6.42E+05	6.33E+05	6.48E+05	6.59E+05	6.05E+05	5.74E+05	5.96E+05	6.56E+05	6.2E+05	6.54E+05	6.46E+05	5.79E+05	6.32E+05	6.03E+05	6.69E+05	6.1E+05	6.09E+05	6.37E+05	6.7E+05	6E+05	6.28E+05	6.64E+05	6.11E+05	6.21E+05	6.37E+05	5.91E+05	6.09E+05	5.86E+05	5.63E+05	6.35E+05	5.65E+05	6.05E+05	6.12E+05	6.03E+05	5.86E+05	5.82E+05	6.54E+05	6.45E+05	6.71E+05	6.27E+05	6.96E+05
3,4-Methylenedioxymethamphetamine	2.81E+06	2.97E+06	2.69E+06	2.7E+06	2.8E+06	2.84E+06	2.84E+06	2.72E+06	2.59E+06	2.69E+06	2.72E+06	2.61E+06	2.67E+06	2.83E+06	2.77E+06	2.67E+06	2.79E+06	2.93E+06	2.71E+06	2.98E+06	2.75E+06	2.97E+06	2.79E+06	2.88E+06	2.81E+06	2.77E+06	2.77E+06	2.58E+06	2.71E+06	2.71E+06	2.58E+06	2.82E+06	2.69E+06	2.71E+06	2.56E+06	2.62E+06	2.53E+06	2.72E+06	2.83E+06	2.67E+06	2.87E+06	2.77E+06	2.85E+06	2.81E+06	2.84E+06
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate	4.9E+05	5.49E+05	5.18E+05	5.16E+05	4.71E+05	5.02E+05	5.36E+05	4.56E+05	4.78E+05	5.48E+05	4.91E+05	4.81E+05	5.56E+05	4.97E+05	4.85E+05	4.73E+05	4.67E+05	5.17E+05	4.8E+05	5.37E+05	5.11E+05	4.45E+05	5.35E+05	5.28E+05	5.03E+05	4.73E+05	5.09E+05	5.13E+05	5.3E+05	4.62E+05	4.84E+05	5.05E+05	4.77E+05	5.63E+05	5.03E+05	4.84E+05	4.81E+05	5.31E+05	4.72E+05	4.88E+05	4.7E+05	5.19E+05	5.17E+05	4.85E+05	4.97E+05
3-Butylidene-7-hydroxyphthalide	2.43E+06	2.16E+06	2.39E+06	2.35E+06	2.31E+06	2.2E+06	2.32E+06	2.14E+06	2.19E+06	2.33E+06	2.27E+06	2.21E+06	2.37E+06	2.14E+06	2.35E+06	2.27E+06	2.35E+06	2.2E+06	2.18E+06	2.34E+06	2.31E+06	2.29E+06	2.26E+06	2.18E+06	2.3E+06	2.25E+06	2.26E+06	2.18E+06	2.34E+06	2.2E+06	2.22E+06	2.2E+06	2.2E+06	2.11E+06	2.21E+06	2.16E+06	2.13E+06	2.12E+06	2.19E+06	2.1E+06	2.26E+06	2.41E+06	2.39E+06	2.26E+06	2.32E+06
3-Chloro-D-alanine	4E+05	3.84E+05	5.17E+05	5.23E+05	4.39E+05	4.25E+05	4.8E+05	5.21E+05	4.18E+05	6.15E+05	3.76E+05	5.02E+05	4.58E+05	3.84E+05	3.6E+05	6.31E+05	4.46E+05	5.27E+05	5.93E+05	4.23E+05	3.52E+05	3.03E+05	4.64E+05	2.69E+05	3.19E+05	3.97E+05	3.21E+05	3.42E+05	4.47E+05	5.85E+05	5.16E+05	3.37E+05	4.26E+05	4.07E+05	4.99E+05	5.23E+05	5E+05	3.21E+05	3.41E+05	4.5E+05	6.45E+05	5.72E+05	5.36E+05	7.18E+05	5.56E+05
3-Hydroxyhexobarbital	3.87E+06	3.62E+06	2.66E+06	4.07E+06	3.06E+06	2.15E+06	4.74E+06	3.28E+06	3.56E+06	5.91E+06	7.94E+06	8.22E+06	4.68E+06	5.42E+06	5.68E+06	2.35E+06	2.85E+06	1.51E+06	3.42E+06	5.12E+06	7.2E+06	1.08E+06	3.44E+06	4.33E+06	1.43E+06	4.62E+06	3.47E+06	3.12E+06	1.41E+07	2.73E+06	1.03E+06	2.51E+06	6.58E+06	4.31E+06	5.27E+06	2.57E+06	1.5E+07	4.51E+06	3.84E+06	7.43E+06	5.93E+06	2.14E+06	8.94E+06	2.72E+06	1.29E+06
3-HYDROXYKYNURENINE_1	1.15E+07	1.47E+07	1.74E+07	1.92E+07	1.8E+07	1.86E+07	2.07E+07	2.22E+07	1.93E+07	1.98E+07	1.79E+07	2.76E+07	2.25E+07	1.58E+07	1.86E+07	2.58E+07	1.87E+07	1.93E+07	2.19E+07	1.47E+07	1.53E+07	7.75E+06	2.06E+07	1.03E+07	1.64E+07	1.8E+07	1.92E+07	1.53E+07	2.61E+07	2.27E+07	2.22E+07	1.54E+07	2.93E+07	1.63E+07	2.12E+07	2.42E+07	2.59E+07	1.5E+07	1.44E+07	1.87E+07	2.44E+07	1.52E+07	2.16E+07	2.82E+07	1.62E+07
3-HYDROXYKYNURENINE_2	2.73E+05	3.61E+05	4.04E+05	4.52E+05	4.25E+05	4.22E+05	4.8E+05	5.28E+05	4.29E+05	4.4E+05	4.16E+05	6.42E+05	5.34E+05	3.6E+05	4.31E+05	5.82E+05	4.27E+05	4.5E+05	5.04E+05	3.57E+05	3.44E+05	1.74E+05	4.61E+05	2.33E+05	3.91E+05	3.92E+05	4.51E+05	3.51E+05	6.04E+05	5.43E+05	5.15E+05	3.68E+05	6.85E+05	4.05E+05	4.84E+05	5.64E+05	6.15E+05	3.52E+05	3.18E+05	4.4E+05	6.02E+05	3.6E+05	5.15E+05	6.72E+05	3.87E+05
3-Methyladenine	3.24E+06	3.36E+06	2.75E+06	2.91E+06	3.28E+06	3.34E+06	3.42E+06	3.8E+06	2.93E+06	3.21E+06	3.2E+06	3.69E+06	3.18E+06	2.9E+06	2.85E+06	3.54E+06	3.37E+06	3.25E+06	3.11E+06	3.2E+06	3.19E+06	3.5E+06	3.3E+06	2.54E+06	3.1E+06	3.27E+06	3.24E+06	2.84E+06	3.84E+06	3.33E+06	3.27E+06	2.63E+06	4.06E+06	2.88E+06	3.18E+06	3.36E+06	3.15E+06	2.87E+06	2.4E+06	2.93E+06	3.48E+06	3.42E+06	3.58E+06	4.12E+06	3.23E+06
3-Phosphonooxypyruvate	1.23E+07	1.25E+07	1.29E+07	1.25E+07	1.35E+07	1.26E+07	1.27E+07	1.2E+07	1.14E+07	1.22E+07	1.26E+07	1.22E+07	1.18E+07	1.27E+07	1.17E+07	1.17E+07	1.15E+07	1.15E+07	1.3E+07	1.13E+07	1.17E+07	1.15E+07	1.16E+07	1.14E+07	1.19E+07	1.1E+07	1.13E+07	1.16E+07	1.15E+07	1.13E+07	1.19E+07	1.1E+07	1.14E+07	1.11E+07	1.2E+07	1.12E+07	1.12E+07	1.12E+07	1.11E+07	1.08E+07	1.24E+07	1.26E+07	1.44E+07	1.3E+07	1.29E+07
4-(beta-Acetylaminoethyl)imidazole	3.36E+05	2.33E+05	1.41E+06	1.44E+06	1.95E+05	2.82E+05	1.86E+05	2.82E+05	2.69E+05	1.45E+06	2.96E+05	3.52E+05	3.13E+05	1.26E+05	1.67E+05	1.71E+06	1.92E+05	2.46E+06	1.33E+06	2.41E+05	3.67E+05	5.93E+05	2.56E+05	1.63E+05	8.5E+05	4.43E+05	1.07E+06	1.3E+05	5.04E+05	6.55E+05	1.1E+06	2.02E+05	3.12E+05	2.29E+05	9.46E+05	1.56E+06	2.07E+06	1.48E+05	4.05E+05	3.7E+05	8.88E+05	7.73E+05	2.17E+05	2.55E+06	6.73E+05
4,8-Dihydroxyquinoline	5.85E+05	8.72E+05	9.58E+05	1.09E+06	6.85E+05	1E+06	8.36E+05	8.58E+05	7.43E+05	1.01E+06	7.23E+05	8.78E+05	6.94E+05	5.95E+05	1.08E+06	1.18E+06	7.13E+05	9.94E+05	1.07E+06	5.69E+05	2.17E+06	1.02E+06	8.65E+05	8.47E+05	1.61E+06	8.53E+05	1.12E+06	1.15E+06	5.92E+05	1.09E+06	1.12E+06	8.18E+05	1.67E+06	7.65E+05	9.95E+05	1.07E+06	1.27E+06	6.15E+05	7.12E+05	6.86E+05	1.22E+06	1.03E+06	7.62E+05	9.68E+05	1.09E+06
4-Aminobiphenyl	2.05E+07	3.12E+07	2.47E+07	3.21E+07	3.45E+07	3.38E+07	2.7E+07	3.19E+07	2.7E+07	2.61E+07	2.98E+07	4.12E+07	3.52E+07	2.58E+07	2.68E+07	2.61E+07	3.19E+07	2.51E+07	2.61E+07	2.39E+07	2.65E+07	1.48E+07	2.89E+07	2.13E+07	2.28E+07	2.67E+07	3.29E+07	2.69E+07	3.65E+07	2.52E+07	2.65E+07	2.54E+07	4.68E+07	2.32E+07	2.51E+07	3.23E+07	3.29E+07	1.95E+07	2.33E+07	3.13E+07	2.78E+07	2.73E+07	3.42E+07	3.28E+07	3.26E+07
4-AMINOBUTANOATE	6.22E+06	8.14E+06	7.01E+06	9.25E+06	9.55E+06	1.09E+07	9.51E+06	9.53E+06	7.4E+06	7.03E+06	8.04E+06	1.16E+07	9.08E+06	9.09E+06	7.51E+06	1.06E+07	7.6E+06	6.79E+06	7.69E+06	5.05E+06	5.46E+06	2.38E+06	8.64E+06	4.93E+06	3.82E+06	8.07E+06	7.24E+06	6.48E+06	9.64E+06	7.51E+06	7.99E+06	5.6E+06	1.22E+07	5.21E+06	7.41E+06	7.24E+06	9.69E+06	4.86E+06	6.61E+06	7.25E+06	8.84E+06	5.28E+06	1.01E+07	1.37E+07	9.18E+06
4-Fluorocyclohexadiene-cis,cis-1,2-diol	4.12E+05	4.97E+05	4.96E+05	5.85E+05	5.74E+05	5.9E+05	6.32E+05	5.82E+05	4.4E+05	6.25E+05	5.36E+05	7.42E+05	6.69E+05	4.04E+05	5.05E+05	5.91E+05	4.94E+05	6.22E+05	5.21E+05	3.83E+05	4.03E+05	1.87E+05	5.68E+05	3.16E+05	3.02E+05	5.31E+05	4.69E+05	4.22E+05	7.43E+05	5.16E+05	6.01E+05	4.08E+05	7.9E+05	3.94E+05	5.11E+05	5.75E+05	7.73E+05	2.93E+05	4.4E+05	6.79E+05	6.1E+05	4.17E+05	6.68E+05	9.38E+05	5.32E+05
4-Guanidinobutanal	3.97E+05	8.08E+05	8.42E+05	7.7E+05	1.01E+06	5.42E+05	4.41E+05	5.54E+05	5.43E+05	4.45E+05	4.95E+05	5.11E+05	8.54E+05	4.51E+05	5.5E+05	4.02E+05	6.3E+05	3.73E+05	3.84E+05	5.28E+05	6.48E+05	3.24E+05	6.39E+05	5.05E+05	4.74E+05	3.35E+05	1.12E+06	5.51E+05	7.37E+05	4.12E+05	4.13E+05	4.1E+05	5.48E+05	4.17E+05	4.28E+05	6.81E+05	5.77E+05	4.15E+05	3.58E+05	5.83E+05	8.64E+05	6.09E+05	4.94E+05	7.42E+05	8.92E+05
4-GUANIDINOBUTANOATE	1.55E+06	2.4E+06	1.87E+06	3.6E+06	2.12E+06	2.48E+06	1.66E+06	2.95E+06	2.21E+06	2.3E+06	2.26E+06	2.92E+06	2.37E+06	2.39E+06	2.24E+06	2.39E+06	2.48E+06	1.96E+06	2.16E+06	1.94E+06	1.92E+06	1.06E+06	3.07E+06	1.25E+06	1.69E+06	3.11E+06	1.79E+06	1.3E+06	2.32E+06	2.06E+06	1.99E+06	1.39E+06	3.19E+06	1.8E+06	2.04E+06	2.73E+06	2.56E+06	1.75E+06	1.84E+06	2.46E+06	2.83E+06	2.06E+06	2.47E+06	3.33E+06	2.59E+06
4-Hydroxy-2-butynal	3.04E+06	2.95E+06	3.33E+06	3.8E+06	4.09E+06	4.39E+06	4.5E+06	4.38E+06	3.71E+06	3.15E+06	3.46E+06	5.37E+06	4.12E+06	3.79E+06	3.62E+06	5.12E+06	3.64E+06	4.04E+06	4.1E+06	3.01E+06	2.65E+06	1.43E+06	5.34E+06	2.11E+06	3.02E+06	4.49E+06	3.5E+06	2.85E+06	4.74E+06	3.79E+06	4E+06	2.89E+06	4.71E+06	2.78E+06	3.71E+06	3.68E+06	4.94E+06	2.65E+06	3.12E+06	3.6E+06	4.89E+06	3.12E+06	4.32E+06	5.34E+06	4.25E+06
4-IMIDAZOLEACETIC ACID	2.61E+06	2.97E+06	2.1E+06	3.14E+06	2.91E+06	2.96E+06	2.95E+06	3.69E+06	2.63E+06	2.51E+06	2.59E+06	4.62E+06	3.23E+06	2.67E+06	2.77E+06	3.02E+06	2.62E+06	2.37E+06	2.8E+06	2.49E+06	1.83E+06	1.51E+06	2.91E+06	1.94E+06	2.79E+06	2.98E+06	3.34E+06	1.87E+06	3.29E+06	2.25E+06	2.19E+06	2.03E+06	3.48E+06	2.15E+06	3.39E+06	2.25E+06	3.37E+06	1.93E+06	2.15E+06	3.15E+06	3.1E+06	3.16E+06	2.84E+06	3.48E+06	3.43E+06
4-Phenethylphenol	1.44E+06	1.58E+06	1.45E+06	1.64E+06	1.45E+06	1.43E+06	1.55E+06	1.45E+06	1.39E+06	1.45E+06	1.49E+06	1.35E+06	1.44E+06	1.49E+06	1.47E+06	1.5E+06	1.47E+06	1.46E+06	1.42E+06	1.4E+06	1.49E+06	1.48E+06	1.35E+06	1.4E+06	1.43E+06	1.44E+06	1.46E+06	1.54E+06	1.32E+06	1.46E+06	1.33E+06	1.53E+06	1.42E+06	1.61E+06	1.45E+06	1.44E+06	1.38E+06	1.48E+06	1.44E+06	1.33E+06	1.54E+06	1.48E+06	1.52E+06	1.5E+06	1.57E+06
4-Vinylcyclohexene	8.09E+04	6.61E+04	1.07E+05	8.05E+04	6.79E+04	7.59E+04	7.91E+04	7.53E+04	8.98E+04	9.64E+04	8.42E+04	9.3E+04	7.73E+04	7.88E+04	9.08E+04	8.79E+04	2.88E+05	9.4E+04	1.03E+05	7.28E+04	6.88E+04	9.85E+04	7.5E+04	7.41E+04	7.46E+04	7.78E+04	8.4E+04	1.02E+05	7.25E+04	1.5E+05	8.86E+04	8.29E+04	8.77E+04	8.88E+04	9.47E+04	8.78E+05	2.83E+05	8.88E+04	7.36E+04	9.41E+04	9.61E+04	1.03E+05	8.22E+04	7.67E+04	9.04E+04
5,6-Dihydrothymine	2.3E+05	3.29E+05	2.02E+05	6.26E+05	2.26E+05	2.71E+05	2.69E+05	2.88E+05	1.89E+05	3.35E+05	3.26E+05	8.57E+05	5.41E+05	1.59E+05	1.75E+05	4.6E+05	4.73E+05	4.96E+05	3.3E+05	2.81E+05	8.73E+05	6.19E+05	3.09E+05	1.22E+05	7.99E+05	2.72E+05	1.55E+06	3.47E+05	5.5E+05	2.79E+05	2.41E+05	2.05E+05	6.21E+05	2.52E+05	3.13E+05	2.88E+05	7.13E+05	1.74E+05	1.57E+05	3.44E+05	4.13E+05	2.7E+05	4.03E+05	3.96E+05	3.28E+05
8-Deoxylactucin	1.18E+06	1E+06	7.93E+05	8E+05	1.06E+06	9.78E+05	1.08E+06	1.04E+06	9.1E+05	8.5E+05	7.65E+05	1.08E+06	9.48E+05	1.07E+06	9.25E+05	8.28E+05	1.17E+06	8.13E+05	7.37E+05	1.15E+06	1.1E+06	1.01E+06	8.53E+05	1.07E+06	1.09E+06	1.08E+06	9.63E+05	6.52E+05	1.2E+06	7.52E+05	8.75E+05	9.09E+05	7.98E+05	1.02E+06	9.33E+05	7.6E+05	8.4E+05	1.04E+06	1.03E+06	9.5E+05	7.47E+05	7.5E+05	9.9E+05	8.18E+05	7.78E+05
9,10-Phenanthroquinone	1.63E+06	1.55E+06	1.36E+06	1.94E+06	2.18E+06	1.96E+06	2.07E+06	2.2E+06	1.94E+06	1.28E+06	1.34E+06	2.59E+06	2.03E+06	1.51E+06	1.88E+06	1.61E+06	1.9E+06	1.78E+06	1.55E+06	1.51E+06	1.32E+06	7.35E+05	1.56E+06	1.44E+06	1.01E+06	2.21E+06	1.36E+06	1.53E+06	1.29E+06	1.61E+06	1.51E+06	1.69E+06	2.07E+06	1.57E+06	1.64E+06	1.45E+06	1.61E+06	1.66E+06	1.53E+06	1.75E+06	2E+06	1.63E+06	2.32E+06	2.34E+06	1.78E+06
9,12,13-TriHOME	5.86E+05	5.83E+05	5.84E+05	5.76E+05	5.62E+05	5.82E+05	5.65E+05	5.74E+05	5.66E+05	5.29E+05	6.07E+05	5.65E+05	5.61E+05	5.42E+05	5.74E+05	5.63E+05	5.9E+05	5.01E+05	6.12E+05	5.99E+05	6.02E+05	6.1E+05	5.94E+05	5.91E+05	5.79E+05	5.99E+05	5.83E+05	6.23E+05	6E+05	5.53E+05	5.52E+05	5.96E+05	5.83E+05	6.56E+05	6.15E+05	5.75E+05	6.02E+05	6.12E+05	5.88E+05	5.95E+05	6.63E+05	6.32E+05	5.82E+05	5.79E+05	5.99E+05
Acadesine	3.51E+04	4.97E+05	4.87E+05	3.15E+04	2.36E+04	5.96E+05	5.11E+04	4.85E+04	2.31E+04	2.5E+05	6.12E+04	2.22E+05	1.28E+05	2.85E+05	2.33E+04	6.91E+05	8.72E+04	5.69E+05	8.5E+05	2.53E+05	1.08E+06	1.65E+06	6.41E+05	3.06E+04	3.36E+06	4.39E+04	4.76E+04	3.32E+04	5.29E+04	6.08E+05	5.85E+05	3.96E+04	4.88E+05	7.29E+05	7.13E+05	5.16E+04	4.85E+04	6.07E+04	2.96E+04	4.16E+05	2.95E+04	6.16E+05	2.26E+05	7.54E+05	3.44E+04
Acetyl phosphate	1.82E+06	1.77E+06	1.95E+06	1.89E+06	1.96E+06	1.89E+06	1.82E+06	1.79E+06	1.72E+06	1.76E+06	1.75E+06	1.69E+06	1.74E+06	1.69E+06	1.6E+06	1.67E+06	1.61E+06	1.65E+06	1.74E+06	1.68E+06	1.59E+06	1.7E+06	1.68E+06	1.55E+06	1.57E+06	1.67E+06	1.68E+06	1.61E+06	1.68E+06	1.79E+06	1.69E+06	1.69E+06	1.67E+06	1.64E+06	1.61E+06	1.68E+06	1.55E+06	1.61E+06	1.57E+06	1.59E+06	1.8E+06	1.84E+06	2.03E+06	1.98E+06	1.84E+06
Adenine	3.83E+05	9.92E+04	1E+05	2.84E+05	3.51E+05	1.26E+05	2.09E+05	1.54E+05	2.91E+05	1.46E+05	2.85E+05	1.46E+05	1.37E+05	1.42E+05	4.63E+05	2.31E+05	1.64E+05	1.63E+05	1.27E+05	1.6E+05	1.61E+05	1.7E+05	2.02E+05	5.25E+05	2.05E+05	2.44E+05	3.53E+05	3.57E+05	4.03E+05	1.33E+05	2.02E+05	2.98E+05	2.18E+05	1.1E+05	1.27E+05	9.61E+04	3.54E+05	2.52E+05	2.27E+05	1.3E+05	2.62E+05	1.15E+05	1.45E+05	1.61E+05	3.16E+05
alpha-Sinensal	8.78E+05	8.62E+05	9.39E+05	8.8E+05	8.58E+05	8.33E+05	8.05E+05	8.02E+05	8.46E+05	8.5E+05	8.38E+05	8.24E+05	8.02E+05	8.13E+05	8.58E+05	7.59E+05	8.05E+05	7.91E+05	7.89E+05	8.18E+05	7.98E+05	7.36E+05	8.21E+05	7.98E+05	8.33E+05	8.04E+05	8.1E+05	8.4E+05	7.82E+05	7.84E+05	8.19E+05	7.87E+05	7.88E+05	7.91E+05	8.16E+05	7.43E+05	7.03E+05	7.51E+05	7.61E+05	7.36E+05	8.89E+05	9.07E+05	8.97E+05	8.8E+05	8.77E+05
Aminoacetone_1	6.52E+05	9.69E+05	5.89E+05	5.71E+05	5.44E+05	7.21E+05	7.34E+05	5.97E+05	6.88E+05	7.44E+05	1.05E+06	8.71E+05	6.5E+05	9.05E+05	9.06E+05	9.12E+05	8.85E+05	8.87E+05	7.75E+05	8.13E+05	8.37E+05	8.14E+05	7.03E+05	8.01E+05	6.72E+05	7.46E+05	7.91E+05	7.46E+05	7.28E+05	7.78E+05	8.78E+05	6.91E+05	8.9E+05	7.61E+05	7.59E+05	1.08E+06	9.63E+05	9.98E+05	8.77E+05	1.06E+06	5.26E+05	5.01E+05	6.01E+05	6.06E+05	5.82E+05
Aminoacetone_2	6.81E+05	7.59E+05	7.1E+05	6.76E+05	5.62E+05	7.46E+05	6.82E+05	7.27E+05	8.8E+05	7.61E+05	7.69E+05	7.68E+05	8.36E+05	8.12E+05	7.93E+05	7.71E+05	8.07E+05	8.5E+05	7.21E+05	8.36E+05	8.66E+05	7.86E+05	7.68E+05	7.53E+05	8.78E+05	9.54E+05	8.47E+05	9.06E+05	8.71E+05	8E+05	8.31E+05	7.92E+05	8.62E+05	9.65E+05	8.53E+05	8.28E+05	8.59E+05	8.93E+05	9.37E+05	9.59E+05	5.42E+05	5.55E+05	6.13E+05	5.91E+05	7.6E+05
Amoxicillin	3.5E+06	2.79E+06	3.42E+06	3.17E+06	3.64E+06	3.54E+06	3.66E+06	3.94E+06	3.58E+06	3.17E+06	3.4E+06	3.35E+06	2.95E+06	3.4E+06	3.27E+06	4.08E+06	3.27E+06	3.52E+06	3.41E+06	2.87E+06	2.89E+06	1.88E+06	3.63E+06	2.39E+06	2.96E+06	3.33E+06	2.99E+06	2.78E+06	3.6E+06	3.69E+06	3.98E+06	3.07E+06	3.97E+06	2.86E+06	3.43E+06	3.58E+06	3.16E+06	2.86E+06	3.12E+06	3.17E+06	4.02E+06	3.4E+06	3.41E+06	3.93E+06	3.66E+06
AMP	9.94E+04	7.67E+04	4.92E+04	1.21E+06	7.3E+04	1.02E+05	5.51E+04	6.64E+04	5.42E+04	1.01E+05	1.48E+06	8.14E+04	6.34E+04	9.65E+04	1.11E+05	1.62E+06	5.38E+04	9.4E+04	7.44E+04	1.25E+05	1.17E+05	7.05E+05	1.31E+05	6.88E+04	1.38E+06	4.52E+04	9.63E+05	9.5E+05	1.7E+05	7.19E+04	4.96E+05	4.12E+04	1.4E+06	4.99E+04	4.62E+04	3.67E+04	1.37E+06	5.56E+04	3.15E+04	5.46E+04	3.59E+05	6.78E+04	7.72E+04	1.74E+05	1.36E+06
Anthocyanin	1.85E+05	1.25E+05	5.75E+05	1.05E+06	4.35E+05	4.25E+05	3.92E+05	4.13E+05	2.75E+05	7.91E+05	2.39E+05	4.3E+05	3.02E+05	3.54E+05	2.51E+05	9.75E+05	2.63E+05	7.82E+05	8.46E+05	3.04E+05	1.59E+05	1.48E+05	5.74E+05	1.07E+05	1.29E+05	3.74E+05	3.27E+05	1.96E+05	5.84E+05	1.02E+06	1.12E+06	2.88E+05	7.7E+05	2.14E+05	8.58E+05	1.58E+06	1.62E+06	2.35E+05	3.59E+05	4.14E+05	7.4E+05	3.26E+05	4.83E+05	1.24E+06	1.02E+06
Arg-OEt	3.47E+06	3.79E+06	4.04E+06	4.19E+06	4.55E+06	4.92E+06	4.8E+06	4.93E+06	4.31E+06	4.53E+06	4.73E+06	5.44E+06	4.47E+06	4.73E+06	4.04E+06	5.56E+06	4.23E+06	4.12E+06	4.27E+06	3.15E+06	3.24E+06	1.88E+06	4.68E+06	2.77E+06	2.79E+06	4.55E+06	3.94E+06	3.36E+06	5.66E+06	4.28E+06	4.14E+06	3.27E+06	5.69E+06	3.34E+06	3.73E+06	3.92E+06	4.75E+06	3.15E+06	3.35E+06	4.51E+06	5.1E+06	3.12E+06	4.94E+06	5.84E+06	4.54E+06
Auricularine	1.54E+04	1.57E+04	2.8E+04	1.35E+04	1.64E+04	1.96E+04	1.83E+04	1.76E+04	1.5E+04	1.98E+04	1.96E+04	2.02E+04	1.46E+04	1.56E+04	1.88E+04	1.6E+04	1.61E+04	1.72E+04	1.7E+04	1.96E+04	1.75E+04	1.6E+04	1.56E+04	1.75E+04	1.63E+04	1.64E+04	1.7E+04	1.46E+04	1.79E+04	1.95E+04	1.61E+04	1.75E+04	1.72E+04	1.67E+04	1.63E+04	1.45E+04	1.69E+04	1.7E+04	1.96E+04	1.44E+04	1.04E+04	8.35E+05	8.43E+04	2.53E+04	1.11E+05
Bakankoside	1.33E+06	1.82E+06	1.96E+06	1.83E+06	2.49E+06	1.92E+06	1.82E+06	2.36E+06	2.38E+06	2.25E+06	1.95E+06	3.08E+06	1.94E+06	1.73E+06	2.51E+06	2.42E+06	1.76E+06	1.72E+06	2.87E+06	1.22E+06	1.48E+06	8.26E+05	2.78E+06	1.07E+06	1.2E+06	2.22E+06	1.41E+06	1.27E+06	2.73E+06	2.46E+06	1.94E+06	1.57E+06	2.64E+06	1.38E+06	2.14E+06	2.44E+06	2.85E+06	1.39E+06	2.37E+06	2.17E+06	2.71E+06	1.72E+06	2.39E+06	3.11E+06	1.84E+06
Bakkenolide A	1.21E+06	1.14E+06	1.21E+06	1.15E+06	1.07E+06	1.08E+06	1.18E+06	1.14E+06	1.2E+06	1.16E+06	1.12E+06	1.05E+06	1.09E+06	1.17E+06	1.21E+06	1.07E+06	1.09E+06	1.14E+06	1.13E+06	1.06E+06	1.09E+06	1.08E+06	1.21E+06	1.17E+06	1.02E+06	1.19E+06	1.14E+06	1.14E+06	1.21E+06	1.17E+06	1.22E+06	1.17E+06	1.11E+06	1.16E+06	1.16E+06	1.03E+06	1.17E+06	1.14E+06	1.18E+06	9.89E+05	1.23E+06	1.12E+06	1.14E+06	1.19E+06	1.11E+06
Bensulfuron-methyl	5.05E+05	4.77E+05	5.01E+05	5.01E+05	3.96E+05	5.05E+05	5.53E+05	4.27E+05	4.89E+05	6.08E+05	4.78E+05	5.62E+05	5.28E+05	5.62E+05	5.61E+05	5.16E+05	6.05E+05	5.3E+05	4.61E+05	5.5E+05	4.87E+05	5.39E+05	5.46E+05	5.23E+05	5.68E+05	5.54E+05	5.67E+05	5.67E+05	4.99E+05	5.41E+05	4.95E+05	5.91E+05	5.39E+05	5.79E+05	5.53E+05	5.22E+05	5.99E+05	5.2E+05	4.82E+05	5.56E+05	3.67E+05	4.68E+05	4.54E+05	4.22E+05	4.68E+05
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate	2.7E+07	2.83E+07	2.61E+07	2.77E+07	2.82E+07	2.9E+07	2.74E+07	2.6E+07	2.65E+07	2.7E+07	2.58E+07	2.72E+07	2.74E+07	2.73E+07	2.58E+07	2.7E+07	2.56E+07	2.47E+07	2.74E+07	2.55E+07	2.47E+07	2.84E+07	2.45E+07	2.45E+07	2.54E+07	2.44E+07	2.71E+07	2.57E+07	2.69E+07	2.62E+07	2.37E+07	2.65E+07	2.56E+07	2.66E+07	2.6E+07	2.53E+07	2.55E+07	2.61E+07	2.36E+07	2.72E+07	2.71E+07	2.77E+07	2.85E+07	2.81E+07	2.71E+07
BETA-ALANINE	1.17E+08	1.94E+08	1.76E+08	2.21E+08	2.31E+08	2.29E+08	1.93E+08	2.06E+08	1.99E+08	1.6E+08	1.84E+08	2.84E+08	2.17E+08	1.6E+08	1.97E+08	1.64E+08	1.97E+08	1.6E+08	1.68E+08	1.2E+08	1.65E+08	7.97E+07	1.64E+08	1.49E+08	1.22E+08	1.68E+08	1.97E+08	1.67E+08	1.85E+08	1.77E+08	1.7E+08	1.56E+08	2.79E+08	1.37E+08	1.97E+08	2.1E+08	2.16E+08	1.5E+08	1.53E+08	2.06E+08	1.81E+08	1.48E+08	1.88E+08	2.2E+08	2.4E+08
Betamethasone	5.81E+05	5.44E+05	5.93E+05	5.23E+05	5.35E+05	5.12E+05	5.24E+05	5.25E+05	5.18E+05	5.46E+05	5.12E+05	4.77E+05	5.25E+05	5.78E+05	5.3E+05	4.98E+05	5.55E+05	4.83E+05	5.47E+05	5.1E+05	5.69E+05	5.63E+05	5.7E+05	5.74E+05	5.37E+05	4.99E+05	4.88E+05	5.47E+05	5.36E+05	5.68E+05	4.84E+05	6.23E+05	5.14E+05	5.12E+05	4.08E+05	4.68E+05	4.76E+05	4.83E+05	5.04E+05	4.83E+05	5.58E+05	5.65E+05	5.61E+05	5.56E+05	6.3E+05
Bis(chloromethyl) ether_1	4.28E+05	4.32E+05	4.33E+05	4.39E+05	4.23E+05	4.16E+05	4.39E+05	4.13E+05	4.23E+05	4.14E+05	4.28E+05	4.2E+05	4.2E+05	4.32E+05	4.34E+05	4.32E+05	4.4E+05	4.26E+05	4.42E+05	4.17E+05	4.47E+05	4.68E+05	4.37E+05	4.16E+05	4.4E+05	4.6E+05	4.5E+05	4.38E+05	4.36E+05	4.47E+05	4.55E+05	4.4E+05	4.39E+05	4.46E+05	4.5E+05	5.19E+05	5.29E+05	4.31E+05	4.65E+05	5.39E+05	4.32E+05	4.17E+05	4.28E+05	4.34E+05	4.38E+05
Bis(chloromethyl) ether_2	4.28E+05	4.23E+05	4.2E+05	4.39E+05	4.26E+05	4.16E+05	4.39E+05	4.13E+05	4.19E+05	4.14E+05	4.2E+05	4.2E+05	4.2E+05	4.32E+05	4.34E+05	4.43E+05	4.4E+05	4.26E+05	4.42E+05	4.17E+05	4.47E+05	4.68E+05	4.37E+05	4.14E+05	4.57E+05	4.38E+05	4.47E+05	4.38E+05	4.33E+05	4.47E+05	4.55E+05	4.4E+05	4.64E+05	4.46E+05	4.44E+05	5.19E+05	5.16E+05	4.31E+05	4.65E+05	5.58E+05	4.36E+05	4.38E+05	4.28E+05	4.28E+05	4.38E+05
Bisphenol B	5.73E+05	5.54E+05	6.05E+05	6.52E+05	4.75E+05	6.18E+05	6.26E+05	5.74E+05	6.04E+05	6.42E+05	6.27E+05	6.67E+05	6.19E+05	6.3E+05	6.16E+05	6.28E+05	6.91E+05	5.66E+05	6.31E+05	6.78E+05	7.15E+05	6.8E+05	5.72E+05	6.86E+05	7.26E+05	6.46E+05	7E+05	6.24E+05	6.27E+05	6.16E+05	6.01E+05	7.04E+05	6.06E+05	6.7E+05	5.67E+05	5.41E+05	5.29E+05	6.26E+05	5.71E+05	5.8E+05	5.71E+05	6.31E+05	5.39E+05	5.2E+05	6.47E+05
Borreverine	9.28E+04	9.76E+04	9.01E+04	8.16E+04	8.41E+04	1.09E+05	1.09E+05	8.33E+04	8.47E+04	1.01E+05	9.27E+04	1.06E+05	9.49E+04	9.42E+04	1.01E+05	9.35E+04	1.07E+05	1.03E+05	8.89E+04	1.08E+05	8.99E+04	9.76E+04	8.63E+04	1.1E+05	9.98E+04	9.24E+04	8.61E+04	9.23E+04	8.82E+04	9.41E+04	9.14E+04	1.02E+05	8.72E+04	9.93E+04	9.59E+04	9.97E+04	9.18E+04	9.39E+04	9.96E+04	9.6E+04	9.84E+04	8.63E+04	7.59E+04	5.96E+05	8.64E+04
Botrydial	9.96E+05	9.41E+05	1.01E+06	1.1E+06	1.06E+06	1.06E+06	1.02E+06	9.8E+05	1.02E+06	1E+06	9.78E+05	9.9E+05	1.06E+06	1.05E+06	9.99E+05	9.48E+05	9.28E+05	1.01E+06	8.45E+05	9.82E+05	9.58E+05	9.44E+05	9.8E+05	1.03E+06	1.01E+06	9.75E+05	1.04E+06	1.07E+06	9.44E+05	8.68E+05	9.65E+05	9.18E+05	1.03E+06	1.03E+06	8.81E+05	9.7E+05	9.82E+05	9.97E+05	9.06E+05	9.68E+05	1.04E+06	1.09E+06	9.93E+05	1.06E+06	1.01E+06
Brunfelsamidine	9.23E+05	9.37E+05	9.07E+05	9.68E+05	9.24E+05	9.25E+05	9.55E+05	8.9E+05	9.79E+05	9.76E+05	9.56E+05	9.67E+05	9.45E+05	1.07E+06	1.03E+06	9.25E+05	1.02E+06	9.92E+05	9.26E+05	1.05E+06	1.05E+06	1.13E+06	1E+06	1.13E+06	1.1E+06	1.14E+06	1.06E+06	1.12E+06	1.01E+06	1.05E+06	1.11E+06	1.09E+06	1.09E+06	1.08E+06	1.03E+06	1.1E+06	1.12E+06	1.25E+06	1.1E+06	1.26E+06	8.44E+05	8.85E+05	9.26E+05	8.57E+05	9.72E+05
Buddledin A_1	4.41E+05	4.49E+05	5E+05	3.91E+05	4.53E+05	4.42E+05	4.18E+05	4.31E+05	4.22E+05	4.42E+05	4.24E+05	4.51E+05	4.48E+05	4.28E+05	4.71E+05	4.03E+05	4.09E+05	4.53E+05	4.2E+05	4.23E+05	4.45E+05	4.45E+05	4.45E+05	4.51E+05	4.25E+05	4.44E+05	4.31E+05	4.36E+05	4.25E+05	4.18E+05	4.26E+05	4.2E+05	4.68E+05	4.56E+05	4.43E+05	4.15E+05	4.39E+05	4.35E+05	4.22E+05	4.23E+05	4.49E+05	4.39E+05	4.67E+05	4.36E+05	4.54E+05
Buddledin A_2	3.9E+05	4.29E+05	3.93E+05	4.58E+05	3.71E+05	3.4E+05	4.03E+05	4.2E+05	3.96E+05	4.45E+05	4.04E+05	3.97E+05	4.12E+05	3.98E+05	4.14E+05	3.58E+05	4.22E+05	3.7E+05	4.36E+05	3.99E+05	4.26E+05	3.93E+05	4.05E+05	4.08E+05	4.26E+05	4.1E+05	3.89E+05	4.47E+05	4.93E+05	4.8E+05	3.56E+05	4.04E+05	4.09E+05	3.61E+05	3.41E+05	3.61E+05	4.05E+05	3.44E+05	3.76E+05	4.14E+05	3.71E+05	4.16E+05	4.26E+05	5.11E+05	3.67E+05
Bufadienolide	4.75E+05	6.32E+05	2.61E+05	2.49E+05	6.25E+05	5.67E+05	5.54E+05	5.65E+05	6.5E+05	2.95E+05	6.57E+05	8.19E+05	7.91E+05	4.66E+05	6.04E+05	3.23E+05	5.5E+05	3.16E+05	3.15E+05	5.59E+05	5.58E+05	3.18E+05	6.17E+05	3.91E+05	4.51E+05	7.05E+05	5.45E+05	6.87E+05	9.32E+05	3.66E+05	3.91E+05	4.66E+05	7.72E+05	4.75E+05	3.22E+05	3.03E+05	3.18E+05	4.48E+05	5.07E+05	6.42E+05	3.02E+05	2.87E+05	8.02E+05	4.31E+05	2.86E+05
Butoctamide hydrogen succinate	6.03E+05	5.45E+05	4.64E+05	4.75E+05	5.99E+05	5.69E+05	5.72E+05	5.74E+05	5.68E+05	6.56E+05	5.45E+05	6.15E+05	6.57E+05	5.32E+05	7.03E+05	6.2E+05	6.25E+05	5.52E+05	5.51E+05	5.06E+05	5.75E+05	4.13E+05	5.88E+05	4.67E+05	4.97E+05	6.76E+05	5.93E+05	5.05E+05	6.36E+05	5.9E+05	5.18E+05	5.18E+05	5.86E+05	5.24E+05	5.32E+05	5.9E+05	6.04E+05	4.58E+05	5.12E+05	5.84E+05	6.18E+05	3.92E+05	6.1E+05	5.89E+05	5.32E+05
Cadaverine	4.28E+05	2.49E+05	2.87E+06	2.66E+06	5.75E+05	5.37E+05	3.6E+05	5.27E+05	5.55E+05	2.37E+06	4.99E+05	5.06E+05	8.85E+05	6.83E+05	5.03E+05	2.62E+06	5.32E+05	3.5E+06	2.51E+06	6.71E+05	5.44E+05	2.14E+05	6.67E+05	2.02E+05	1.8E+05	5.34E+05	5.5E+05	7.5E+05	8.19E+05	1.38E+06	2.12E+06	4.1E+05	1.13E+06	2.96E+05	1.26E+06	3.03E+06	3.15E+06	2.96E+05	3.19E+05	7.32E+05	1.63E+06	6.61E+05	7.99E+05	4.21E+06	1.37E+06
Calcium L-aspartate	1.22E+06	1.28E+06	1.23E+06	1.23E+06	1.26E+06	1.27E+06	1.25E+06	1.21E+06	1.18E+06	1.24E+06	1.22E+06	1.2E+06	1.2E+06	1.23E+06	1.22E+06	1.25E+06	1.26E+06	1.24E+06	1.27E+06	1.28E+06	1.32E+06	1.29E+06	1.32E+06	1.25E+06	1.32E+06	1.34E+06	1.31E+06	1.39E+06	1.36E+06	1.39E+06	1.4E+06	1.37E+06	1.38E+06	1.43E+06	1.4E+06	1.85E+06	1.67E+06	1.43E+06	1.48E+06	1.76E+06	1.27E+06	1.28E+06	1.28E+06	1.28E+06	1.29E+06
Calycanthidine	6.45E+05	6.19E+05	6.97E+05	6.55E+05	6.8E+05	6.26E+05	6.53E+05	6.53E+05	6.55E+05	6.09E+05	6.37E+05	6.33E+05	6.26E+05	6.65E+05	6.45E+05	6.19E+05	6.47E+05	6.57E+05	6.3E+05	6.33E+05	6.37E+05	6.43E+05	6.56E+05	6.67E+05	6.51E+05	6.38E+05	6.44E+05	7.33E+05	6.54E+05	6.6E+05	6.2E+05	6.5E+05	5.92E+05	6.56E+05	6.39E+05	5.92E+05	6.2E+05	6.4E+05	6.08E+05	5.95E+05	6.49E+05	7.3E+05	6.85E+05	6.33E+05	7.03E+05
Cholesterol sulfate	9.78E+05	1.14E+06	9.69E+05	9.63E+05	8.71E+05	1.24E+06	1.12E+06	1.03E+06	9.53E+05	1.2E+06	1.01E+06	1.22E+06	9.68E+05	1.11E+06	1.16E+06	9.93E+05	1.19E+06	1.17E+06	1.04E+06	1.26E+06	1.01E+06	1.15E+06	1.17E+06	1.11E+06	1.13E+06	1.29E+06	1.1E+06	1.18E+06	1.07E+06	1.16E+06	9.83E+05	1.23E+06	9.65E+05	1.08E+06	1.15E+06	1.2E+06	1.07E+06	1.13E+06	1.1E+06	1.18E+06	7.96E+05	4.86E+06	1.01E+06	1.17E+06	1.07E+06
CITRATE	6.04E+05	8.09E+05	8.05E+05	9.26E+04	2.11E+05	3.56E+05	1.37E+06	1.84E+06	6.25E+05	1.92E+06	4.24E+05	1.29E+06	1.99E+06	1.03E+06	1.23E+05	1.38E+06	1.63E+06	1.73E+06	2.24E+06	1.49E+06	5.16E+05	8.64E+05	1.13E+06	7.14E+04	8.29E+05	1.31E+06	1.07E+05	5.26E+04	1.6E+06	1.94E+06	1.11E+06	6.82E+05	5.4E+05	1.35E+06	1.17E+06	9.2E+05	9.42E+04	2.72E+05	9.32E+05	2.28E+06	7.63E+05	1.77E+06	2.01E+06	2.01E+06	5.66E+04
Convallasaponin A	5.31E+05	5.09E+05	5.71E+05	5.72E+05	5.36E+05	5.14E+05	5.36E+05	5.71E+05	4.81E+05	5.22E+05	4.74E+05	4.82E+05	4.91E+05	4.84E+05	4.9E+05	5.46E+05	4.6E+05	4.81E+05	5.07E+05	5.22E+05	5.01E+05	5.3E+05	4.71E+05	5.03E+05	5.29E+05	4.87E+05	4.98E+05	4.63E+05	4.93E+05	4.62E+05	4.57E+05	5.1E+05	4.45E+05	5.08E+05	4.68E+05	4.5E+05	4.63E+05	4.85E+05	4.47E+05	4.24E+05	5.75E+05	6.28E+05	5.93E+05	5.9E+05	5.82E+05
Creatine	8.05E+05	8.48E+05	8.01E+05	8E+05	7.93E+05	8.01E+05	7.8E+05	7.98E+05	6.99E+05	7.94E+05	8.27E+05	7.85E+05	7.58E+05	7.74E+05	8.33E+05	7.7E+05	8.62E+05	7.65E+05	7.7E+05	8.2E+05	8.3E+05	8.74E+05	7.08E+05	7.48E+05	7.59E+05	7.89E+05	8.88E+05	7.98E+05	7.91E+05	7.75E+05	7.69E+05	8.02E+05	7.74E+05	8.76E+05	8.41E+05	8.29E+05	9.45E+05	7.95E+05	8.43E+05	8.56E+05	6.94E+05	7.38E+05	7.55E+05	7.01E+05	7.69E+05
CREATINE	6.81E+05	3.89E+05	9.12E+05	9.71E+05	4.24E+05	4.54E+05	8.59E+05	6.69E+05	5.57E+05	6.35E+05	1.94E+05	1E+06	3.16E+05	3.78E+05	4.67E+05	7.39E+05	2.35E+05	9.9E+05	5.95E+05	2.46E+05	2.06E+05	2.13E+05	7.62E+05	3.51E+05	4.16E+05	7.13E+05	6.86E+05	1.28E+05	4.1E+05	2.08E+05	3.43E+05	3.89E+05	2.23E+05	4.07E+05	4.88E+05	7.62E+05	1.11E+06	5.04E+05	4.33E+05	1.68E+05	4.47E+05	4.53E+05	2.7E+05	9.27E+05	4.63E+05
CREATININE	1.82E+05	3.62E+04	2.54E+05	1.85E+05	8.48E+04	1.13E+05	1.4E+05	1.03E+05	9.47E+04	1.09E+05	2.95E+04	5.92E+04	3.01E+04	8.93E+04	6.63E+04	1.74E+05	3.3E+04	2.44E+05	1.11E+05	2.42E+04	3.98E+04	3.96E+04	1.07E+05	8.28E+04	5.53E+04	1.61E+05	5.84E+04	2.19E+04	4.38E+04	7.31E+04	7.66E+04	8.38E+04	2.63E+04	8.46E+04	1.12E+05	1.88E+05	3.17E+05	8.62E+04	1.01E+07	2.32E+04	1.14E+05	6.85E+04	3.09E+04	1.98E+05	9.19E+04
Cyclohexylsulfamate	1.35E+06	1.28E+06	1.25E+06	1.3E+06	1.16E+06	1.17E+06	1.29E+06	1.32E+06	1.16E+06	1.2E+06	1.15E+06	1.11E+06	1.09E+06	1.21E+06	1.11E+06	1.24E+06	1.17E+06	1.14E+06	1.21E+06	1.11E+06	1.22E+06	1.25E+06	1.07E+06	1.09E+06	1.24E+06	1.12E+06	1.28E+06	1.2E+06	1.12E+06	1.18E+06	1.06E+06	1.24E+06	1.22E+06	1.22E+06	1.27E+06	1.27E+06	1.13E+06	1.18E+06	1.28E+06	1.16E+06	1.28E+06	1.3E+06	1.25E+06	1.3E+06	1.3E+06
Debrisoquin_1	1.83E+06	2.1E+06	9.04E+06	1.07E+07	1.18E+07	1.34E+07	2.01E+06	1.24E+07	2.27E+06	1.04E+07	1.22E+07	3.02E+06	2.6E+06	1.25E+07	2.51E+06	2.57E+06	1.15E+07	2.2E+06	2.07E+06	9.3E+06	2.27E+06	8.13E+06	3.05E+06	1.04E+07	9.59E+06	1.17E+07	1.16E+07	1.09E+07	1.37E+07	1.1E+07	2.45E+06	1.04E+07	1.75E+07	1.02E+07	9.91E+06	1.19E+07	1.33E+07	1.88E+06	2.37E+06	1.34E+07	1.2E+07	8.64E+06	1.02E+07	2.36E+06	1.28E+07
Debrisoquin_2	1.83E+06	2.1E+06	1.89E+06	2.31E+06	2.42E+06	2.91E+06	2.01E+06	2.63E+06	2.27E+06	2.16E+06	2.61E+06	3.02E+06	2.6E+06	2.79E+06	2.51E+06	2.57E+06	2.49E+06	2.2E+06	2.07E+06	2.1E+06	1.08E+07	1.76E+06	3.05E+06	2.17E+06	1.87E+06	2.31E+06	2.54E+06	2.2E+06	2.86E+06	2.42E+06	2.45E+06	2.13E+06	3.51E+06	2.16E+06	2.23E+06	2.57E+06	2.76E+06	1.88E+06	2.37E+06	2.79E+06	2.47E+06	1.64E+06	2.05E+06	2.36E+06	2.52E+06
Deethylatrazine	1.2E+07	1.41E+07	1.6E+07	1.71E+07	1.92E+07	1.73E+07	1.66E+07	1.93E+07	1.5E+07	1.59E+07	1.76E+07	2.47E+07	1.73E+07	1.48E+07	1.56E+07	2.02E+07	1.57E+07	1.64E+07	1.74E+07	1.17E+07	1.25E+07	6.7E+06	1.89E+07	9.35E+06	1.18E+07	1.46E+07	1.78E+07	1.29E+07	2.28E+07	1.63E+07	1.66E+07	1.25E+07	2.51E+07	1.35E+07	1.68E+07	1.86E+07	2.05E+07	1.13E+07	1.27E+07	2.28E+07	2E+07	1.24E+07	1.82E+07	2.52E+07	1.62E+07
Diallyl disulfide	1.44E+06	1.46E+06	1.42E+06	1.45E+06	1.39E+06	1.43E+06	1.4E+06	1.43E+06	1.42E+06	1.45E+06	1.45E+06	1.42E+06	1.44E+06	1.43E+06	1.39E+06	1.41E+06	1.42E+06	1.41E+06	1.4E+06	1.45E+06	1.49E+06	1.5E+06	1.44E+06	1.45E+06	1.46E+06	1.47E+06	1.41E+06	1.41E+06	1.43E+06	1.44E+06	1.47E+06	1.46E+06	1.41E+06	1.46E+06	1.43E+06	1.4E+06	1.42E+06	1.41E+06	1.43E+06	1.38E+06	1.39E+06	1.43E+06	1.4E+06	1.42E+06	1.44E+06
Dichloromethane_1	2.97E+06	3.01E+06	2.99E+06	2.91E+06	3.06E+06	2.95E+06	3.01E+06	2.92E+06	3.04E+06	2.98E+06	3.01E+06	2.96E+06	3.07E+06	3.1E+06	3.12E+06	3E+06	3.09E+06	3.11E+06	3.05E+06	3.11E+06	3.09E+06	3.1E+06	3.11E+06	3.16E+06	3.13E+06	3.11E+06	3.12E+06	3.13E+06	3.24E+06	3.15E+06	3.13E+06	3.12E+06	3.17E+06	3.22E+06	3.12E+06	3.16E+06	3.15E+06	3.21E+06	3.18E+06	3.16E+06	2.91E+06	2.94E+06	2.96E+06	2.94E+06	2.93E+06
Dichloromethane_2	2.89E+06	2.27E+06	2.97E+06	2.75E+06	2.52E+06	2.54E+06	2.39E+06	2.61E+06	2.49E+06	3.78E+06	2.2E+06	2.19E+06	2.79E+06	2.29E+06	2.58E+06	2.41E+06	3.1E+06	2.69E+06	3.17E+06	2.65E+06	3.29E+06	2.56E+06	2.71E+06	2.84E+06	2.6E+06	2.64E+06	2.86E+06	2.42E+06	7.18E+06	2.99E+06	2.69E+06	2.37E+06	2.28E+06	2.84E+06	2.64E+06	2.74E+06	2.62E+06	2.74E+06	2.43E+06	2.37E+06	2.54E+06	2.59E+06	2.53E+06	2.78E+06	2.57E+06
DIMBOA	1.23E+06	1.09E+06	1.13E+06	1.21E+06	1.2E+06	1.05E+06	1.06E+06	1.21E+06	1.03E+06	1.11E+06	1.12E+06	1.04E+06	9.35E+05	1.02E+06	1.06E+06	1.22E+06	1.19E+06	1.18E+06	1.13E+06	1.29E+06	1.11E+06	1.32E+06	1.07E+06	1.07E+06	1.24E+06	1.17E+06	1.08E+06	1.06E+06	1.23E+06	1.04E+06	1.2E+06	1.17E+06	1E+06	1.03E+06	1.05E+06	1.06E+06	9.16E+05	1.09E+06	1.05E+06	1.06E+06	1.18E+06	1.22E+06	1.24E+06	1.1E+06	1.23E+06
Dipropyl disulfide	2.63E+05	4.18E+05	3.28E+05	3.85E+05	4.12E+05	4.95E+05	3.88E+05	4.32E+05	3.47E+05	3.53E+05	4.1E+05	6.44E+05	4.51E+05	2.97E+05	3.58E+05	4.44E+05	4.34E+05	3.34E+05	4.04E+05	2.63E+05	2.81E+05	1.54E+05	3.82E+05	2.26E+05	2.1E+05	3.17E+05	3.88E+05	3.13E+05	5.77E+05	3.42E+05	4.54E+05	2.47E+05	7.19E+05	2.94E+05	3.93E+05	3.36E+05	4.82E+05	2.19E+05	3.24E+05	6.01E+05	3.31E+05	2.38E+05	4.58E+05	6.75E+05	3.95E+05
Dodecanamide	4.2E+07	4.27E+07	4.23E+07	4.26E+07	4.27E+07	4.25E+07	4.49E+07	4.31E+07	4.16E+07	4.07E+07	4.5E+07	4.06E+07	4.08E+07	4.26E+07	4.4E+07	4.02E+07	4.27E+07	4.18E+07	4.19E+07	4.22E+07	4.47E+07	4.24E+07	4.2E+07	4.35E+07	4.29E+07	4.19E+07	4.43E+07	4.26E+07	4.18E+07	4.2E+07	4.5E+07	4.32E+07	4.17E+07	4.06E+07	4.34E+07	4.25E+07	4.05E+07	4.21E+07	4.22E+07	4.27E+07	4.2E+07	4.34E+07	4.3E+07	4.34E+07	4.26E+07
Dodemorph	1.21E+07	8.97E+06	2.79E+06	7.57E+06	8.29E+06	1.87E+07	2.42E+06	2.03E+06	1.85E+06	1.19E+07	1.68E+06	1.67E+07	1.6E+06	2.01E+07	6.21E+06	9.94E+06	2.07E+06	1.21E+07	2.84E+07	1.3E+06	9.15E+05	1.06E+06	6.21E+06	5.38E+06	1.92E+06	1.12E+07	7.92E+06	1.09E+06	1.13E+06	3.08E+06	3.54E+06	3.46E+06	3.47E+06	1.73E+06	4.17E+06	2.65E+07	6.37E+06	3.76E+06	1.14E+06	1.82E+06	6.6E+07	4.66E+06	1.99E+06	3.4E+07	2.84E+06
dUTP	4.45E+05	5.63E+05	6.08E+05	2.54E+05	7.42E+05	9.99E+05	5.49E+05	9.66E+05	7.61E+05	1.06E+06	7.76E+05	1.14E+06	7.98E+05	7.81E+05	8.88E+05	7.6E+05	7.13E+05	8.57E+05	7.6E+05	6.28E+05	8.46E+05	5.38E+05	8.18E+05	3.75E+05	8.19E+05	5.36E+05	6.87E+05	5.31E+05	1.15E+06	7.94E+05	9.17E+05	9.23E+05	1.14E+06	6.01E+05	8.2E+05	9.49E+05	7.32E+05	3.56E+05	6.85E+05	9.8E+05	5.48E+05	6.42E+05	7.71E+05	7.63E+05	5.93E+05
epsilon-Caprolactam	5.98E+05	4.89E+05	5.18E+05	4.76E+05	4.51E+05	5.08E+05	4.41E+05	4.71E+05	5.06E+05	4.62E+05	5.56E+05	5.4E+05	5.01E+05	4.75E+05	5.76E+05	4.66E+05	7.28E+05	3.89E+05	4.99E+05	5.96E+05	4.6E+05	5.01E+05	5.08E+05	4.92E+05	3.7E+05	6.1E+05	5.35E+05	4.51E+05	6.17E+05	4.68E+05	6.01E+05	4.44E+05	5.87E+05	5.86E+05	4.2E+05	5.37E+05	6.22E+05	4.92E+05	5.15E+05	5.08E+05	5.61E+05	5.51E+05	4.4E+05	4.87E+05	4.45E+05
ETHANOLAMINE PHOSPHATE	1.44E+07	1.64E+07	1.29E+07	1.35E+07	1.63E+07	1.56E+07	1.6E+07	1.79E+07	1.59E+07	1.53E+07	1.7E+07	2.03E+07	1.75E+07	1.35E+07	1.44E+07	1.5E+07	1.67E+07	1.4E+07	1.52E+07	1.55E+07	1.28E+07	1.09E+07	1.69E+07	1.36E+07	1.37E+07	1.71E+07	1.47E+07	1.31E+07	1.87E+07	1.53E+07	1.51E+07	1.45E+07	1.83E+07	1.2E+07	1.32E+07	1.52E+07	1.62E+07	1.22E+07	1.65E+07	1.65E+07	1.67E+07	1.44E+07	2.09E+07	1.69E+07	1.42E+07
Ethephon	3.03E+06	3.42E+06	3.1E+06	3.3E+06	2.86E+06	3.22E+06	3.42E+06	2.71E+06	3.18E+06	3.1E+06	3.14E+06	3.06E+06	3.03E+06	3.53E+06	3.26E+06	3.57E+06	3.42E+06	3.69E+06	3.32E+06	3.77E+06	3.27E+06	3.97E+06	3.23E+06	3.84E+06	3.6E+06	3.3E+06	3.29E+06	3.59E+06	3.28E+06	3.69E+06	3.46E+06	3.63E+06	3.12E+06	3.63E+06	3.74E+06	3.94E+06	3.77E+06	3.83E+06	3.54E+06	3.52E+06	3.1E+06	3.43E+06	2.74E+06	2.81E+06	3.13E+06
Ethiofencarb	1.36E+06	1.57E+06	1.98E+06	2.18E+06	2.1E+06	1.96E+06	2.22E+06	2.44E+06	2.07E+06	2.07E+06	1.84E+06	2.91E+06	2.33E+06	1.64E+06	1.98E+06	2.68E+06	1.97E+06	2E+06	2.29E+06	1.58E+06	1.57E+06	7.91E+05	2.16E+06	1.1E+06	1.75E+06	1.96E+06	2.12E+06	1.65E+06	2.81E+06	2.51E+06	2.37E+06	1.62E+06	3.12E+06	1.72E+06	2.26E+06	2.63E+06	2.69E+06	1.59E+06	1.57E+06	1.98E+06	2.74E+06	1.75E+06	2.46E+06	3.2E+06	1.77E+06
Ethylenethiourea_1	4.69E+05	4.83E+05	4.86E+05	4.71E+05	4.78E+05	5.13E+05	4.72E+05	4.81E+05	4.89E+05	4.96E+05	4.74E+05	4.98E+05	4.61E+05	4.87E+05	5.03E+05	4.88E+05	4.86E+05	4.96E+05	4.89E+05	5.01E+05	4.88E+05	5.32E+05	4.72E+05	4.98E+05	4.9E+05	4.91E+05	4.8E+05	4.86E+05	4.91E+05	4.67E+05	4.94E+05	4.83E+05	4.87E+05	4.84E+05	5.08E+05	4.93E+05	4.79E+05	4.84E+05	4.99E+05	4.91E+05	4.84E+05	4.81E+05	4.59E+05	4.49E+05	4.74E+05
Ethylenethiourea_2	4.7E+05	4.64E+05	4.76E+05	4.73E+05	4.74E+05	4.67E+05	4.54E+05	4.68E+05	4.93E+05	4.94E+05	4.71E+05	4.98E+05	4.68E+05	4.85E+05	4.83E+05	5.2E+05	4.81E+05	4.76E+05	4.95E+05	4.89E+05	5.19E+05	4.95E+05	5.12E+05	5.04E+05	5.01E+05	4.94E+05	4.93E+05	4.83E+05	5.08E+05	4.83E+05	4.75E+05	5.22E+05	5.17E+05	4.82E+05	5.01E+05	4.86E+05	4.75E+05	5.21E+05	4.82E+05	4.74E+05	4.72E+05	4.93E+05	4.59E+05	4.58E+05	4.66E+05
Fluoroacetate_1	5.41E+06	5.5E+06	5.68E+06	6.42E+06	5.21E+06	5.93E+06	5.01E+06	6E+06	5.08E+06	8.01E+06	5.36E+06	5.29E+06	5.48E+06	5.65E+06	5.02E+06	5.26E+06	5.85E+06	5.98E+06	6.56E+06	6.25E+06	6.21E+06	6.31E+06	5.22E+06	5.43E+06	5.28E+06	5.08E+06	5.66E+06	4.55E+06	1.28E+07	6.05E+06	5.76E+06	5.52E+06	4.52E+06	5.33E+06	5.34E+06	5.25E+06	4.91E+06	6.19E+06	5.1E+06	4.88E+06	5.9E+06	5.2E+06	4.76E+06	5.47E+06	5.84E+06
Fluoroacetate_2	4.83E+06	4.9E+06	4.83E+06	4.78E+06	4.68E+06	5.09E+06	4.83E+06	4.95E+06	4.65E+06	5.03E+06	4.98E+06	5.01E+06	5.01E+06	4.99E+06	5.06E+06	4.75E+06	4.97E+06	5.01E+06	4.92E+06	5.04E+06	4.98E+06	5.19E+06	5E+06	5.01E+06	4.82E+06	4.81E+06	5.07E+06	5.18E+06	4.8E+06	4.66E+06	4.7E+06	4.99E+06	4.7E+06	4.8E+06	4.83E+06	4.58E+06	4.73E+06	4.79E+06	4.9E+06	4.68E+06	5.05E+06	4.79E+06	4.87E+06	4.91E+06	4.86E+06
Fluoroacetate_3	5E+06	5.24E+06	5.1E+06	4.95E+06	5.12E+06	5.09E+06	4.95E+06	4.97E+06	4.91E+06	5.03E+06	4.98E+06	4.97E+06	5.01E+06	4.99E+06	5.06E+06	5.24E+06	4.97E+06	5.01E+06	4.92E+06	5.04E+06	4.98E+06	5.19E+06	5E+06	5.01E+06	4.82E+06	4.81E+06	5.07E+06	5.18E+06	4.8E+06	4.89E+06	4.7E+06	4.83E+06	4.7E+06	4.8E+06	4.83E+06	4.58E+06	4.73E+06	4.99E+06	4.9E+06	4.68E+06	5.39E+06	4.97E+06	4.9E+06	4.91E+06	5.1E+06
Fomepizole_1	1.15E+07	1.08E+07	1.16E+07	1.12E+07	1.13E+07	9.69E+06	1.06E+07	1.05E+07	9.4E+06	1.02E+07	1.07E+07	9.97E+06	9.27E+06	9.17E+06	9.96E+06	9.6E+06	9.55E+06	9.48E+06	9.37E+06	9.4E+06	9.16E+06	1.01E+07	8.91E+06	9.67E+06	9.02E+06	9.15E+06	9.12E+06	9.41E+06	9.11E+06	9.46E+06	9.32E+06	9.75E+06	9.18E+06	1E+07	9.15E+06	9.05E+06	9.68E+06	9.5E+06	9.4E+06	9.21E+06	1.23E+07	1.27E+07	1.16E+07	1.13E+07	1.19E+07
Fomepizole_2	7.61E+06	6.32E+06	1.03E+07	5.99E+06	1.05E+07	7.33E+06	7.55E+06	6.86E+06	5.89E+06	6.7E+06	6.84E+06	6.39E+06	5.73E+06	7.3E+06	6.1E+06	8.61E+06	5.25E+06	5.9E+06	8.84E+06	4.4E+06	6.84E+06	5.35E+06	5.56E+06	4.97E+06	6.71E+06	6.87E+06	5.29E+06	5.33E+06	6.31E+06	5.76E+06	8.46E+06	6.6E+06	4.81E+06	5.63E+06	4.55E+06	8.33E+06	6.08E+06	5.98E+06	4.52E+06	4.71E+06	1.42E+07	7.01E+06	7.19E+06	1.07E+07	5.36E+06
Fosetyl_1	3E+06	3.01E+06	3.03E+06	2.94E+06	3.01E+06	3.11E+06	2.9E+06	3.17E+06	3.28E+06	3.2E+06	3.12E+06	3.22E+06	3.27E+06	3.36E+06	3.49E+06	3.34E+06	3.61E+06	3.47E+06	3.23E+06	3.65E+06	3.24E+06	3.47E+06	3.18E+06	3.29E+06	3.4E+06	3.37E+06	3.2E+06	3.66E+06	3.48E+06	3.43E+06	3.49E+06	3.4E+06	3.36E+06	3.39E+06	3.46E+06	3.96E+06	3.82E+06	3.64E+06	3.67E+06	3.78E+06	3.35E+06	3.12E+06	2.98E+06	3.1E+06	3E+06
Fosetyl_2	2.71E+06	2.47E+06	2.67E+06	2.52E+06	3.21E+06	2.23E+06	2.46E+06	2.6E+06	2.37E+06	2.51E+06	2.42E+06	2.37E+06	2.52E+06	2.48E+06	2.36E+06	2.5E+06	2.45E+06	2.29E+06	2.48E+06	2.28E+06	2.36E+06	2.25E+06	2.31E+06	2.3E+06	2.41E+06	2.34E+06	2.42E+06	2.42E+06	2.41E+06	2.26E+06	2.35E+06	2.42E+06	2.25E+06	2.36E+06	2.45E+06	2.4E+06	2.25E+06	2.21E+06	2.36E+06	2.05E+06	3.36E+06	3.61E+06	3.15E+06	3.15E+06	3.51E+06
gamma-Coniceine	7.79E+05	7.51E+05	7.78E+05	7.74E+05	8.41E+05	7.05E+05	7.45E+05	7.48E+05	8.39E+05	7.73E+05	8.24E+05	7.53E+05	8.52E+05	7.75E+05	7.84E+05	7.43E+05	8.27E+05	7.25E+05	7.53E+05	7.3E+05	8.48E+05	7.49E+05	7.49E+05	7.65E+05	8.44E+05	7.9E+05	8.39E+05	8.63E+05	8.26E+05	7.76E+05	7.95E+05	7.87E+05	7.55E+05	8.06E+05	7.57E+05	7.37E+05	7.96E+05	8.4E+05	8.26E+05	7.95E+05	7.93E+05	8.14E+05	7.52E+05	7.3E+05	7.39E+05
GLYCEROL	4.89E+06	8.11E+06	7.3E+06	7.19E+06	1.21E+07	1.05E+07	8.12E+06	7.62E+06	1.02E+07	4.55E+06	6.91E+06	1.16E+07	8.73E+06	1.09E+07	8.67E+06	6.12E+06	8.72E+06	4.11E+06	6.14E+06	5.43E+06	4.42E+06	2.4E+06	5.7E+06	6.9E+06	2.64E+06	3.2E+06	6.72E+06	7.34E+06	4.3E+06	6.99E+06	3.74E+06	5.65E+06	1.01E+07	5.95E+06	6.73E+06	6.4E+06	6.58E+06	5.5E+06	3.3E+06	5.6E+06	4.76E+06	4.5E+06	7.26E+06	6.95E+06	8.11E+06
Glycerol	9.11E+05	1.97E+06	1.49E+06	1.85E+06	3.2E+06	2.92E+06	2.09E+06	2E+06	2.7E+06	9.77E+05	1.67E+06	4.03E+06	2.13E+06	2.67E+06	2.26E+06	1.95E+06	2.09E+06	1.02E+06	1.5E+06	1.24E+06	9.5E+05	3.81E+05	1.65E+06	1.3E+06	5.88E+05	7.65E+05	1.83E+06	1.68E+06	1.42E+06	1.92E+06	9.43E+05	1.29E+06	3.94E+06	1.44E+06	1.97E+06	2.04E+06	2.43E+06	1.21E+06	8.05E+05	1.74E+06	1.14E+06	8.52E+05	1.87E+06	1.99E+06	1.96E+06
GLYCINE	2.02E+06	3.41E+06	3.9E+06	4.8E+06	4.36E+06	4.85E+06	2.43E+06	3.29E+06	3.18E+06	3.49E+06	3.43E+06	4.24E+06	3.17E+06	2.91E+06	4.21E+06	3.71E+06	2.91E+06	2.68E+06	3.38E+06	2.07E+06	3.76E+06	1.92E+06	3.66E+06	2.8E+06	3.39E+06	2.57E+06	4.68E+06	3.72E+06	3.7E+06	3.3E+06	4.11E+06	3.62E+06	6.43E+06	2.3E+06	3.93E+06	4.32E+06	5.67E+06	2.7E+06	2.99E+06	3.36E+06	4.67E+06	2.58E+06	2.93E+06	4.18E+06	4.85E+06
Guanosine	1.78E+06	2.34E+06	2.24E+06	2.33E+06	1.97E+06	2E+06	2.67E+06	2.21E+06	1.95E+06	2.85E+06	3.37E+06	3.32E+06	2.71E+06	2.09E+06	2.11E+06	3.42E+06	2.23E+06	2.15E+06	2.72E+06	2.36E+06	2.54E+06	1.3E+06	3.15E+06	1.39E+06	3.09E+06	2.46E+06	2.84E+06	2.45E+06	4.6E+06	2.71E+06	2.64E+06	1.61E+06	3.35E+06	1.74E+06	2.73E+06	2.9E+06	3.42E+06	1.6E+06	1.91E+06	3.45E+06	2.87E+06	1.82E+06	3.2E+06	2.89E+06	2.1E+06
Gyromitrin	3.35E+06	3.29E+06	3.44E+06	3.57E+06	3.74E+06	3.16E+06	3.29E+06	3.31E+06	3.32E+06	3.43E+06	3.33E+06	3.33E+06	3.42E+06	3.46E+06	3.33E+06	3.38E+06	3.6E+06	3.41E+06	3.29E+06	3.27E+06	3.29E+06	3.29E+06	3.36E+06	3.33E+06	3.32E+06	3.41E+06	3.43E+06	3.34E+06	3.45E+06	3.3E+06	3.56E+06	3.36E+06	3.22E+06	3.49E+06	3.23E+06	3.49E+06	3.49E+06	3.54E+06	3.36E+06	3.27E+06	3.7E+06	3.69E+06	3.3E+06	3.42E+06	3.66E+06
Harmaline	7.07E+04	2.88E+04	2.72E+05	8.49E+05	4.62E+04	3.61E+04	5.29E+04	6.19E+04	6.73E+04	3.6E+05	2.02E+04	1.69E+04	2.41E+04	2.7E+04	4.55E+04	2.76E+05	1.99E+04	5.1E+05	3.85E+05	2.37E+04	2.06E+04	2.9E+04	7.85E+04	3.81E+04	5E+04	6.72E+04	5.46E+04	1.91E+04	2.96E+04	2.03E+05	2.86E+05	4.95E+04	2.42E+04	5.06E+04	3.63E+05	6.75E+05	1.22E+06	5.26E+04	5.39E+04	7.34E+03	4.08E+05	3.23E+05	1.9E+04	6.69E+05	3.23E+05
Hexahomomethionine	9.72E+04	1.25E+05	6.35E+04	6.45E+04	8.97E+04	7.89E+04	7E+04	9.44E+04	8.72E+04	6.96E+04	8.97E+04	1.61E+05	8.53E+04	9.39E+04	7.18E+04	9.48E+04	8.12E+04	6.48E+04	5.91E+04	8.34E+04	1.06E+05	4.36E+04	8.96E+04	9.22E+04	9.09E+04	1.43E+05	9.48E+04	6.97E+04	1.47E+05	9.18E+04	5.98E+04	9.99E+05	1.66E+05	1.02E+05	8.1E+04	5.32E+04	1.18E+05	8.19E+04	2.23E+05	1.3E+05	8.08E+04	2.15E+05	1.18E+05	9.42E+04	7.03E+04
HISTAMINE	3.28E+05	7.55E+05	7.32E+05	7.86E+05	4.22E+05	4.08E+05	3.52E+05	3.86E+05	4.19E+05	8.02E+05	7.27E+05	1.42E+06	7.96E+05	3.17E+05	3.53E+05	1.02E+06	6.49E+05	9.43E+05	9.01E+05	6.04E+05	6.07E+05	4.47E+05	3.42E+05	2.35E+05	7.74E+05	4.89E+05	1.38E+06	5.05E+05	7.65E+05	4.88E+05	5.84E+05	5.09E+06	1.1E+06	3.15E+05	5.14E+05	9.96E+05	1.09E+06	2.18E+05	3.6E+06	5.96E+05	4.91E+05	4.66E+05	8.72E+05	1.24E+06	4.57E+05
Homoarginine	5.91E+05	5.68E+05	7.15E+05	7.57E+05	8.57E+05	8.68E+05	8.53E+05	9.7E+05	7.15E+05	7.79E+05	8.26E+05	1.05E+06	8.04E+05	7.72E+05	6.67E+05	1.24E+06	5.88E+05	7.84E+05	8.22E+05	5.31E+05	4.95E+05	2.28E+05	1.04E+06	4.14E+05	4.65E+05	8.13E+05	6.75E+05	5.47E+05	1.46E+06	7.81E+05	1.07E+06	5.35E+05	1.8E+06	5.09E+05	7.38E+05	9.07E+05	1.32E+06	4.78E+05	6.11E+05	8.84E+05	1.29E+06	5.95E+05	9.84E+05	1.68E+06	7.85E+05
Hyoscyamine methylbromide	6.65E+05	1.11E+06	8.04E+05	1.16E+06	1.4E+06	1.16E+06	1.05E+06	1.04E+06	1.08E+06	6.07E+05	8E+05	1.46E+06	9.68E+05	1.13E+06	8.98E+05	1.02E+06	8.74E+05	6.93E+05	7.47E+05	7.02E+05	5.02E+05	2.86E+05	9.65E+05	6.4E+05	4.2E+05	1.24E+06	5.75E+05	7.94E+05	5.85E+05	8.86E+05	7.79E+05	5.67E+05	1.44E+06	6.92E+05	8.16E+05	7.92E+05	1.17E+06	5.16E+05	5.97E+05	5E+05	9.52E+05	6.36E+05	1.4E+06	1.35E+06	9.3E+05
Hypoxanthine	2.84E+06	2.14E+06	2.44E+06	2.36E+06	2.32E+06	2.43E+06	3.73E+06	2.91E+06	2.43E+06	3.6E+06	4.98E+06	3.24E+06	3.08E+06	3.49E+06	2.62E+06	4.03E+06	2.96E+06	3.1E+06	3.19E+06	2.95E+06	3.18E+06	1.96E+06	4.92E+06	1.47E+06	2.95E+06	4E+06	3.29E+06	2.45E+06	7.24E+06	3.03E+06	3.14E+06	2.04E+06	3.83E+06	2.1E+06	3.39E+06	2.83E+06	3.74E+06	1.97E+06	2.26E+06	4.84E+06	3.66E+06	2.41E+06	5.13E+06	4.37E+06	2.23E+06
Indole	2.81E+05	2.47E+05	3.43E+05	2.46E+05	4.75E+05	3.73E+05	2.64E+05	3.27E+05	4.96E+05	1.94E+06	3.89E+05	4.23E+05	3.9E+05	3.21E+05	2.97E+05	5.91E+05	4.76E+05	3.89E+05	3.27E+05	2.77E+05	1.98E+05	1.14E+05	3.66E+05	3.67E+05	2.4E+05	3.43E+05	4.1E+05	2.75E+05	4.83E+05	5.11E+05	3.26E+05	2.68E+05	2.96E+05	1.45E+05	2.04E+05	1.54E+05	4.21E+05	2.8E+05	2.03E+05	3.27E+05	3E+05	2.7E+05	4.14E+05	3.74E+05	2.58E+05
Indoleamine	1.01E+06	4.52E+05	3.27E+05	1.93E+05	4.61E+05	1.07E+06	4.87E+05	7.12E+05	4.29E+05	6.46E+05	2.53E+05	4.85E+05	3.81E+05	5.49E+05	5.81E+05	8.74E+05	3.98E+05	4.8E+05	4.11E+05	4.49E+05	5.03E+05	2.51E+05	6.08E+05	6.44E+05	2.37E+05	9.16E+05	7.17E+05	3.82E+05	4.84E+05	2.14E+05	7.73E+05	3.48E+05	2.05E+05	6.79E+05	5.28E+05	3.31E+05	2.41E+05	4.02E+05	5.77E+05	4.04E+05	4.3E+05	3.56E+05	3.13E+05	4.8E+05	1.99E+05
Inosine	8.88E+05	6.63E+05	7.3E+05	7.58E+05	7.27E+05	8.14E+05	1.14E+06	9.33E+05	7.04E+05	1.12E+06	1.65E+06	1.05E+06	9.37E+05	1.11E+06	7.9E+05	1.19E+06	9.64E+05	9.47E+05	9.63E+05	9.96E+05	9.88E+05	6.41E+05	1.55E+06	4.31E+05	9.75E+05	1.28E+06	1.11E+06	7.12E+05	2.33E+06	8.57E+05	9.36E+05	6.68E+05	1.17E+06	6.05E+05	1.01E+06	8.78E+05	1.18E+06	6.01E+05	6.56E+05	1.54E+06	1.15E+06	7.11E+05	1.55E+06	1.38E+06	6.94E+05
Isoprothiolane	1.06E+06	8.41E+05	9.75E+05	9.19E+05	9.15E+05	1.02E+06	1.41E+06	1.2E+06	9.75E+05	1.28E+06	1.87E+06	1.26E+06	1.13E+06	1.36E+06	1.03E+06	1.4E+06	1.05E+06	1.23E+06	1.24E+06	1.13E+06	1.17E+06	7.74E+05	1.82E+06	5.62E+05	1.14E+06	1.53E+06	1.24E+06	8.57E+05	2.54E+06	1.03E+06	1.09E+06	8.92E+05	1.34E+06	7.43E+05	1.26E+06	1E+06	1.23E+06	7.61E+05	8.29E+05	1.64E+06	1.4E+06	8.97E+05	1.86E+06	1.53E+06	8.39E+05
Jamaicamide B	3.98E+05	5.87E+05	5.08E+05	2.29E+05	6.56E+05	6.99E+05	5.6E+05	7.44E+05	6.94E+05	6.85E+05	6.56E+05	9.23E+05	7.59E+05	6.98E+05	6.19E+05	6.02E+05	7.71E+05	5.31E+05	6.56E+05	5.95E+05	6.02E+05	5.19E+05	6.37E+05	3.76E+05	6.35E+05	3.98E+05	6.82E+05	3.97E+05	1.03E+06	5.33E+05	6.18E+05	7.35E+05	9.76E+05	5.03E+05	5.42E+05	5.92E+05	4.68E+05	2.34E+05	6.08E+05	6.82E+05	5.32E+05	4.64E+05	7.74E+05	6.7E+05	4.34E+05
L-ARGININE	1.42E+08	1.58E+08	1.42E+08	1.75E+08	1.76E+08	2.19E+08	1.51E+08	1.96E+08	1.77E+08	1.58E+08	1.86E+08	2.13E+08	1.8E+08	1.99E+08	1.9E+08	1.9E+08	1.85E+08	1.58E+08	1.61E+08	1.52E+08	1.73E+08	1.24E+08	2.34E+08	1.61E+08	1.51E+08	1.78E+08	1.91E+08	1.67E+08	2.15E+08	1.69E+08	1.91E+08	1.62E+08	2.57E+08	1.58E+08	1.59E+08	1.82E+08	1.96E+08	1.31E+08	1.71E+08	2.03E+08	1.89E+08	1.33E+08	1.64E+08	1.8E+08	2.07E+08
L-Arginine phosphate	1.85E+07	3.27E+07	2.98E+07	2.83E+07	3.89E+07	2.96E+07	2.51E+07	4.4E+07	3.13E+07	3.02E+07	2.72E+07	3.64E+07	2.94E+07	2.71E+07	2.36E+07	2.38E+07	3.01E+07	2.87E+07	2.81E+07	2.6E+07	2.59E+07	1.97E+07	2.73E+07	2.15E+07	2.13E+07	2.74E+07	2.17E+07	1.79E+07	3.22E+07	2.74E+07	2.31E+07	2.6E+07	2.49E+07	2.77E+07	2.23E+07	2.44E+07	1.95E+07	1.39E+07	2.6E+07	2.39E+07	3.22E+07	4.47E+07	4.16E+07	4.08E+07	2.86E+07
L-ASPARAGINE	1.16E+06	1.82E+06	3.09E+06	3.2E+06	2.92E+06	3.31E+06	1.36E+06	5.47E+06	3.4E+06	3.92E+06	4.22E+06	5.12E+06	3.23E+06	1.62E+06	3.64E+06	2.74E+06	4.45E+06	3.83E+06	3.61E+06	2.38E+06	1.36E+06	3.04E+06	3.3E+06	2.64E+06	5.1E+06	1.07E+06	6.1E+06	3.67E+06	7.36E+06	3.68E+06	3.53E+06	4.16E+06	5.37E+06	2.13E+06	4.17E+06	5.73E+06	3.45E+06	1.25E+06	3E+06	6.02E+06	3.04E+06	3.73E+06	3.16E+06	2.96E+06	2.36E+06
L-ASPARTATE	2.5E+06	4E+06	3.24E+06	3.32E+06	2.98E+06	3.94E+06	4.89E+06	5.04E+06	4.14E+06	4.61E+06	3.14E+06	6.34E+06	4.63E+06	1.99E+06	3.93E+06	2.56E+06	5.52E+06	4.33E+06	4.21E+06	4.85E+06	3.43E+06	3.46E+06	2.67E+06	3.14E+06	3.41E+06	4.22E+06	4.38E+06	3.25E+06	4.94E+06	4.15E+06	3.34E+06	8.42E+06	4.81E+06	3.88E+06	3.26E+06	3.63E+06	2.85E+06	3.33E+06	1.1E+07	4.76E+06	2.48E+06	3.43E+06	5.4E+06	4.6E+06	3.26E+06
L-CARNITINE	3.76E+07	4.04E+07	5.19E+07	6.39E+07	5.64E+07	5.12E+07	4.33E+07	5.1E+07	4.33E+07	5.34E+07	4.81E+07	5.73E+07	4.98E+07	4.63E+07	4.26E+07	7.21E+07	4.96E+07	5.29E+07	5.46E+07	4.29E+07	3.94E+07	2.53E+07	5.22E+07	3.47E+07	3.93E+07	4.53E+07	4.51E+07	3.9E+07	5.64E+07	5.67E+07	5.83E+07	3.67E+07	6.58E+07	3.49E+07	5.53E+07	5.14E+07	6.07E+07	3.23E+07	3.92E+07	4.54E+07	6.64E+07	5.63E+07	5.65E+07	7.6E+07	6.24E+07
L-Cysteate	5.08E+05	7.8E+05	8.26E+05	8.17E+05	8.6E+05	8.44E+05	8.01E+05	6.95E+05	7.84E+05	6.53E+05	7.75E+05	8.82E+05	7.77E+05	7.54E+05	8.14E+05	6.92E+05	7.3E+05	5.95E+05	7.72E+05	5.12E+05	7.77E+05	3.62E+05	7.09E+05	7.13E+05	5.09E+05	6.97E+05	8.49E+05	7.96E+05	6.87E+05	7.49E+05	5.44E+05	8.31E+05	1.01E+06	6.68E+05	8.1E+05	7.64E+05	8.03E+05	6.73E+05	6.69E+05	7.25E+05	6.17E+05	4.81E+05	6.82E+05	6.85E+05	8.93E+05
LEUCINE	1.07E+08	1.31E+08	1.28E+08	1.63E+08	1.58E+08	1.61E+08	1.37E+08	1.59E+08	1.28E+08	1.51E+08	1.38E+08	1.93E+08	1.55E+08	1.28E+08	1.3E+08	1.51E+08	1.42E+08	1.42E+08	1.45E+08	1.07E+08	1.1E+08	5.31E+07	1.56E+08	8.83E+07	9.72E+07	1.47E+08	1.16E+08	1.17E+08	2.02E+08	1.49E+08	1.49E+08	1.16E+08	2.11E+08	1.09E+08	1.45E+08	1.68E+08	1.83E+08	9.26E+07	1.22E+08	1.6E+08	1.78E+08	1.11E+08	1.77E+08	2.41E+08	1.6E+08
Leucocyanidin	3.61E+05	3.93E+05	5.6E+05	5.1E+05	4.83E+05	5.48E+05	4.86E+05	6.99E+05	5.28E+05	7.65E+05	5.28E+05	6.03E+05	6.13E+05	4.74E+05	5.56E+05	8.22E+05	4.81E+05	6.81E+05	7.02E+05	3.78E+05	5.27E+05	2.19E+05	5.54E+05	2.79E+05	5.81E+05	6.28E+05	5.43E+05	3.05E+05	1.12E+06	7.2E+05	7.62E+05	4.88E+05	7.12E+05	3.55E+05	5.87E+05	9.8E+05	6.07E+05	3.46E+05	4.55E+05	4.62E+05	8.55E+05	5.73E+05	4.96E+05	8.66E+05	5.26E+05
Levamisole	1.43E+06	2.07E+06	1.3E+06	8.15E+05	1.67E+06	2.35E+06	1.51E+06	1.85E+06	1.85E+06	1.93E+06	1.32E+06	1.38E+06	1.05E+06	1.41E+06	1.64E+06	2.45E+06	1.44E+06	1.34E+06	1.22E+06	1.69E+06	1.85E+06	1.72E+06	2.24E+06	1.51E+06	1.41E+06	2E+06	1.71E+06	1.45E+06	9.59E+05	1.41E+06	2.17E+06	1.53E+06	1.28E+06	2.41E+06	1.38E+06	1.45E+06	1.36E+06	1.66E+06	2.17E+06	1.56E+06	1.27E+06	1.72E+06	1.47E+06	1.62E+06	1.23E+06
L-GLUTAMINE	1.8E+08	9.99E+07	1.12E+08	1.1E+08	1.04E+08	1.25E+08	2.09E+08	2.07E+08	9.36E+07	1.97E+08	1.52E+08	1.08E+08	1.75E+08	1.58E+08	7.59E+07	2.48E+08	1.51E+08	2.49E+08	1.9E+08	2.12E+08	8.33E+07	9.83E+07	2.09E+08	4.02E+07	1.62E+08	2.2E+08	6.79E+07	1.05E+08	2.87E+08	1.82E+08	1.95E+08	1.13E+08	1.46E+08	1.36E+08	1.43E+08	1.17E+08	1.32E+08	6.58E+07	1.39E+08	1.63E+08	2.42E+08	1.8E+08	2.67E+08	3.24E+08	1.14E+08
L-HISTIDINE	1.08E+08	1.39E+08	1.17E+08	1.3E+08	1.59E+08	1.48E+08	1.54E+08	1.64E+08	1.44E+08	1.34E+08	1.29E+08	1.93E+08	1.55E+08	1.4E+08	1.32E+08	1.39E+08	1.44E+08	1.33E+08	1.36E+08	1.14E+08	1.13E+08	5.9E+07	1.52E+08	9.76E+07	1.12E+08	1.51E+08	1.25E+08	1.15E+08	1.78E+08	1.33E+08	1.3E+08	1.12E+08	1.93E+08	1.26E+08	1.33E+08	1.29E+08	1.64E+08	1.04E+08	1.13E+08	1.5E+08	1.59E+08	1.15E+08	1.62E+08	1.86E+08	1.32E+08
Lichenin	7.13E+05	6.2E+05	7.09E+05	7.52E+05	9.99E+05	8.82E+05	8.94E+05	1.03E+06	7.85E+05	6.82E+05	6.8E+05	1.12E+06	8.89E+05	8.11E+05	7.83E+05	1.04E+06	7.2E+05	8.39E+05	8.58E+05	6E+05	5.56E+05	2.64E+05	9.29E+05	4.47E+05	6.21E+05	8.49E+05	7E+05	5.59E+05	9.99E+05	8.63E+05	9.94E+05	6.13E+05	1.22E+06	6.24E+05	8.26E+05	8.3E+05	1.05E+06	5.49E+05	6.63E+05	8.52E+05	1.12E+06	6.56E+05	8.82E+05	1.21E+06	9.49E+05
L-Kynurenine	2.22E+05	3.64E+05	3.57E+05	4.58E+05	4.92E+05	3.91E+05	5.15E+05	4.54E+05	4.2E+05	4.98E+05	4.59E+05	7.73E+05	5.56E+05	3.33E+05	4.09E+05	2.84E+05	6.12E+05	3.42E+05	4.99E+05	2.63E+05	3.56E+05	1.54E+05	3.61E+05	2.82E+05	2.96E+05	7.34E+05	5.05E+05	3.26E+05	5.93E+05	4.74E+05	3.3E+05	3.92E+05	6.35E+05	4.15E+05	4.91E+05	4.69E+05	5.92E+05	3.61E+05	3.02E+05	7.94E+05	4.07E+05	2.77E+05	4.1E+05	5.58E+05	3.3E+05
L-LYSINE	8.43E+07	8.52E+07	9.31E+07	1.07E+08	1.04E+08	1.22E+08	1.08E+08	1.17E+08	9.44E+07	1.02E+08	9.8E+07	1.24E+08	1.04E+08	1.09E+08	1.04E+08	1.19E+08	9.54E+07	1.03E+08	1.14E+08	8.06E+07	7.88E+07	5.18E+07	1.19E+08	7.96E+07	7.26E+07	1.07E+08	8.59E+07	8.7E+07	1.23E+08	1.08E+08	1.09E+08	7.87E+07	1.27E+08	8.22E+07	1.08E+08	1.04E+08	1.23E+08	6.93E+07	8.57E+07	1.19E+08	1.14E+08	7.97E+07	1.18E+08	1.28E+08	1.13E+08
L-Methionine	5.02E+06	7.44E+06	6.5E+06	7.5E+06	8.12E+06	8.68E+06	7.48E+06	8.78E+06	6.62E+06	6.61E+06	7.97E+06	1.21E+07	8.78E+06	5.62E+06	6.78E+06	8.36E+06	7.96E+06	6.33E+06	7.2E+06	5.14E+06	5.26E+06	2.67E+06	7.51E+06	4.21E+06	3.99E+06	5.98E+06	7.75E+06	5.91E+06	1.08E+07	6.15E+06	8.34E+06	5.12E+06	1.29E+07	5.1E+06	6.95E+06	6.25E+06	9.09E+06	4.52E+06	5.77E+06	1.07E+07	6.64E+06	5.17E+06	8.82E+06	1.31E+07	7.72E+06
L-Methionine S-oxide	2.7E+07	3.64E+07	3.45E+07	5.07E+07	4.2E+07	4.12E+07	3.81E+07	4.15E+07	3.25E+07	4.16E+07	3.91E+07	4.43E+07	3.97E+07	3.5E+07	3.36E+07	4.49E+07	3.66E+07	3.62E+07	3.65E+07	3.09E+07	2.9E+07	1.35E+07	4.12E+07	2.34E+07	2.49E+07	3.93E+07	2.85E+07	2.97E+07	5.96E+07	3.86E+07	3.9E+07	2.33E+07	5.59E+07	2.62E+07	3.9E+07	3.89E+07	4.98E+07	2.05E+07	3.29E+07	4.33E+07	5.29E+07	2.84E+07	5.57E+07	6.3E+07	3.42E+07
Loperamide	4.23E+05	5.9E+05	4.31E+05	6.82E+05	5.63E+05	5.5E+05	5.27E+05	6.6E+05	5.48E+05	6.37E+05	4.99E+05	8.07E+05	5.42E+05	5.52E+05	4.86E+05	6.18E+05	5.78E+05	5.96E+05	5.53E+05	4.2E+05	5.94E+05	2.25E+05	7.09E+05	2.91E+05	4.04E+05	1.06E+06	4.81E+05	3.75E+05	7.44E+05	5.8E+05	6.82E+05	5.73E+05	7.69E+05	4.52E+05	5.49E+05	5.7E+05	5.86E+05	8.15E+05	8.01E+05	6.14E+05	1.06E+06	5.55E+05	4.76E+05	8.13E+05	6.29E+05
Lovastatin	1.16E+06	1.09E+06	1.14E+06	1.17E+06	1.1E+06	1.1E+06	1.09E+06	1.14E+06	1.1E+06	1.07E+06	1.05E+06	9.97E+05	1.04E+06	1.08E+06	1.06E+06	1.11E+06	1.03E+06	1.11E+06	1.1E+06	1.12E+06	1.06E+06	1.11E+06	1.07E+06	1.07E+06	1.12E+06	1.06E+06	1.07E+06	1.07E+06	1.08E+06	1.06E+06	1.02E+06	1.04E+06	9.49E+05	1.1E+06	1.04E+06	9.83E+05	9.28E+05	1.07E+06	1.05E+06	9.47E+05	1.16E+06	1.25E+06	1.18E+06	1.19E+06	1.17E+06
L-Palmitoylcarnitine	2.99E+05	1.75E+05	2.44E+05	5.8E+05	3.23E+05	2.81E+05	1.58E+05	2.25E+05	1.44E+05	2.71E+05	3.43E+05	1.36E+05	1.24E+05	2.35E+05	1.87E+05	8.24E+05	6.71E+04	4.19E+05	3.21E+05	9.93E+04	1.03E+05	1.27E+05	7.3E+05	1.39E+05	1.33E+05	9.05E+04	1.37E+05	4.22E+04	7.16E+04	2.46E+05	8.19E+05	4.67E+04	2.41E+05	5.65E+04	1.62E+05	4.57E+05	7.59E+05	1.13E+05	3.94E+04	2.47E+04	1.03E+06	1.93E+05	1.69E+05	4.8E+05	5.6E+05
L-Phenylalanine	6.9E+07	8.24E+07	8.09E+07	9.94E+07	9.38E+07	9.41E+07	9.84E+07	1.01E+08	7.35E+07	1.01E+08	8.62E+07	1.16E+08	9.57E+07	6.98E+07	7.77E+07	9.64E+07	8.22E+07	8.99E+07	8.36E+07	6.49E+07	6.82E+07	3.16E+07	8.86E+07	5.36E+07	4.86E+07	8.55E+07	7.54E+07	6.81E+07	1.21E+08	8.25E+07	9.64E+07	6.38E+07	1.23E+08	5.8E+07	8.64E+07	9.37E+07	1.13E+08	5.15E+07	7.49E+07	1.07E+08	1.03E+08	6.58E+07	1.09E+08	1.51E+08	9.71E+07
L-Pipecolate	1.01E+07	9.76E+06	7.36E+06	1.09E+07	1.13E+07	1.42E+07	1.27E+07	2.82E+07	1.01E+07	1.03E+07	8.59E+06	2.03E+07	1.06E+07	1.35E+07	1.22E+07	1E+07	8.45E+06	1.05E+07	9.65E+06	7.86E+06	7.56E+06	4.33E+06	1.4E+07	6.78E+06	8.21E+06	1.13E+07	7.97E+06	8.17E+06	1.31E+07	9.32E+06	7.59E+06	9.52E+06	1.28E+07	1.04E+07	9.4E+06	9.64E+06	1.15E+07	7.21E+06	1.33E+07	8.5E+06	1.34E+07	8.64E+06	1.28E+07	1.39E+07	1.07E+07
L-PROLINE	3.84E+08	4.43E+08	4.21E+08	4.65E+08	4.68E+08	5.09E+08	5.39E+08	5.42E+08	4.53E+08	4.41E+08	4.91E+08	6.01E+08	5.08E+08	4.47E+08	4.55E+08	5.54E+08	4.55E+08	4.46E+08	4.82E+08	3.57E+08	3.77E+08	2.04E+08	5.17E+08	3.19E+08	3.36E+08	5.38E+08	4.34E+08	3.57E+08	5.6E+08	4.84E+08	4.57E+08	3.95E+08	6.25E+08	3.7E+08	4.36E+08	4.61E+08	5.38E+08	3.3E+08	4.09E+08	4.57E+08	5.36E+08	3.66E+08	5.68E+08	6.29E+08	4.67E+08
L-THREONINE	7.53E+07	8.6E+07	7.67E+07	8.48E+07	8.09E+07	8.67E+07	8.7E+07	9.03E+07	6.77E+07	8.92E+07	9.05E+07	1.15E+08	9.13E+07	8.02E+07	8.18E+07	1E+08	8.61E+07	8.03E+07	9.33E+07	8.27E+07	7.88E+07	4.32E+07	8.67E+07	5.61E+07	6.81E+07	8.28E+07	7.64E+07	7.61E+07	1.24E+08	8.6E+07	8.06E+07	6.62E+07	1.12E+08	6.33E+07	8.6E+07	8.03E+07	8.92E+07	6.74E+07	6.68E+07	9.35E+07	1.04E+08	7.32E+07	1.01E+08	1.12E+08	9.81E+07
L-Tryptophan	3.32E+07	4.03E+07	4.59E+07	4.68E+07	5.31E+07	4.79E+07	4.84E+07	5.31E+07	4.13E+07	4.55E+07	5.04E+07	7.06E+07	4.82E+07	4.13E+07	4.4E+07	5.99E+07	4.36E+07	4.51E+07	4.92E+07	3.25E+07	3.5E+07	1.8E+07	5.28E+07	2.7E+07	3.28E+07	4.17E+07	4.9E+07	3.76E+07	6.6E+07	4.57E+07	4.74E+07	3.66E+07	6.96E+07	3.71E+07	4.66E+07	5.18E+07	5.87E+07	3.14E+07	3.46E+07	6.05E+07	5.25E+07	3.35E+07	4.84E+07	6.86E+07	4.45E+07
L-TYROSINE	4.54E+07	5.13E+07	5.61E+07	6.54E+07	6.48E+07	7.01E+07	6.75E+07	6.92E+07	5.46E+07	6.59E+07	6.04E+07	7.75E+07	6.59E+07	6.24E+07	5.64E+07	7.71E+07	5.65E+07	6.29E+07	6.78E+07	4.55E+07	4.82E+07	2.29E+07	7.5E+07	3.76E+07	4.6E+07	6.37E+07	5.55E+07	4.31E+07	8.17E+07	6.86E+07	7.2E+07	4.92E+07	8.19E+07	4.41E+07	6.71E+07	7.37E+07	8.12E+07	4E+07	4.78E+07	7.11E+07	7.26E+07	5.06E+07	7.13E+07	9.3E+07	6.5E+07
L-Tyrosine methyl ester	7.52E+06	9.35E+06	9.51E+06	9.03E+06	1.23E+07	1.01E+07	9.71E+06	1.18E+07	1.19E+07	1.26E+07	9.98E+06	1.58E+07	1.04E+07	9.09E+06	1.32E+07	1.21E+07	9.55E+06	9.64E+06	1.52E+07	6.84E+06	7.75E+06	4.56E+06	1.36E+07	6.25E+06	6.58E+06	1.23E+07	7.66E+06	6.85E+06	1.47E+07	1.23E+07	1.03E+07	8.83E+06	1.44E+07	7.37E+06	1.24E+07	1.33E+07	1.58E+07	7.5E+06	1.36E+07	1.12E+07	1.28E+07	8.29E+06	1.14E+07	1.4E+07	8.74E+06
L-Valine_1	2.85E+08	3.2E+08	3.06E+08	3.81E+08	3.52E+08	4.01E+08	3.79E+08	3.86E+08	3.14E+08	3.51E+08	3.46E+08	4.39E+08	3.79E+08	3.44E+08	3.37E+08	3.7E+08	3.3E+08	3.31E+08	3.55E+08	2.78E+08	2.93E+08	1.52E+08	3.87E+08	2.21E+08	2.51E+08	3.7E+08	3.06E+08	2.86E+08	4.38E+08	3.54E+08	3.35E+08	2.94E+08	4.67E+08	2.79E+08	3.43E+08	3.32E+08	3.97E+08	2.52E+08	2.98E+08	3.77E+08	4E+08	2.64E+08	4.06E+08	4.68E+08	3.65E+08
L-Valine_2	2.68E+06	2.59E+06	2.68E+06	2.61E+06	2.59E+06	2.57E+06	2.64E+06	2.49E+06	2.51E+06	2.41E+06	2.38E+06	2.47E+06	2.65E+06	2.52E+06	2.59E+06	2.37E+06	2.43E+06	2.57E+06	2.48E+06	2.67E+06	2.49E+06	2.55E+06	2.56E+06	2.58E+06	2.5E+06	2.4E+06	2.53E+06	2.47E+06	2.5E+06	2.57E+06	2.53E+06	2.65E+06	2.55E+06	2.61E+06	2.32E+06	2.5E+06	2.46E+06	2.47E+06	2.36E+06	2.48E+06	2.74E+06	2.67E+06	2.6E+06	2.54E+06	2.67E+06
Magnoshinin	1.81E+06	2.13E+06	1.41E+06	1.54E+06	1.48E+06	1.74E+06	1.51E+06	1.81E+06	1.94E+06	1.68E+06	1.53E+06	1.7E+06	1.45E+06	1.5E+06	1.55E+06	1.29E+06	1.78E+06	1.5E+06	1.4E+06	1.97E+06	1.84E+06	2.03E+06	1.44E+06	2.05E+06	1.67E+06	1.89E+06	1.86E+06	7.41E+05	1.48E+06	1.51E+06	1.5E+06	1.66E+06	1.4E+06	1.66E+06	1.63E+06	1.37E+06	1.52E+06	1.42E+06	1.4E+06	1.98E+06	1.24E+06	1.85E+06	1.75E+06	1.27E+06	1.51E+06
MANNOSE	2.24E+06	5.65E+06	7.17E+06	4.89E+06	6.98E+06	4.01E+06	2.94E+06	3.07E+06	4.76E+06	3.98E+06	3.24E+06	3.99E+06	6.44E+06	2.76E+06	4.11E+06	3.03E+06	5.77E+06	1.91E+06	3.22E+06	3.56E+06	6.83E+06	3.62E+06	3.05E+06	5.01E+06	3.37E+06	1.56E+06	1.06E+07	6.05E+06	3.81E+06	3.51E+06	2.34E+06	3.6E+06	4.37E+06	3.82E+06	5.53E+06	5.27E+06	4.84E+06	5.63E+06	2.02E+06	6.94E+06	3.15E+06	2.77E+06	2.79E+06	2.3E+06	4.98E+06
Methamphetamine	4.7E+05	4.61E+05	5.39E+05	4.29E+05	4.47E+05	4.29E+05	4.52E+05	5.25E+05	4.68E+05	4.26E+05	4.49E+05	4.06E+05	4.54E+05	5.05E+05	4.22E+05	4.55E+05	4.87E+05	4.33E+05	4.32E+05	4.5E+05	5.04E+05	4.28E+05	4.48E+05	4.41E+05	4.39E+05	4.31E+05	4.7E+05	4.84E+05	5E+05	4.88E+05	4.33E+05	4.34E+05	4.5E+05	4.42E+05	4.66E+05	4.36E+05	4.69E+05	4.58E+05	5.01E+05	4.35E+05	4.56E+05	4.84E+05	4.89E+05	4.51E+05	4.3E+05
Methyl methanesulfonate	8.25E+05	1.07E+06	1.84E+06	2.39E+06	1.12E+06	1.32E+06	1.44E+06	1.83E+06	1.17E+06	2.72E+06	1.22E+06	1.91E+06	1.61E+06	1.5E+06	9.18E+05	2.55E+06	1.43E+06	2.4E+06	2.61E+06	1.48E+06	8.9E+05	7.99E+05	2.13E+06	5.76E+05	9.22E+05	1.53E+06	8.02E+05	8.15E+05	1.78E+06	2.45E+06	2.38E+06	1.03E+06	1.53E+06	1.18E+06	2.42E+06	2.97E+06	2.7E+06	8.59E+05	1.11E+06	1.91E+06	2.18E+06	1.72E+06	1.83E+06	3.3E+06	2.1E+06
Metominostrobin	3.9E+05	5.35E+05	1.91E+05	1.91E+05	5.14E+05	5.51E+05	4.98E+05	4.42E+05	5.65E+05	2.89E+05	5.05E+05	7.42E+05	5.05E+05	3.41E+05	4.09E+05	2.53E+05	4.43E+05	2.45E+05	2.27E+05	4.41E+05	4.42E+05	2.4E+05	4.31E+05	3.25E+05	3.79E+05	5.46E+05	4.25E+05	4.94E+05	7.17E+05	2.62E+05	2.6E+05	3.74E+05	6.12E+05	3.63E+05	2.58E+05	2.46E+05	2.36E+05	2.87E+05	3.98E+05	5.04E+05	2.44E+05	2.42E+05	6.35E+05	3.72E+05	2.52E+05
Monodehydroascorbate	3.42E+05	5.35E+05	4.91E+05	5.98E+05	6.63E+05	6.45E+05	5.31E+05	4.82E+05	5.35E+05	4.24E+05	5.48E+05	6.93E+05	5.92E+05	5.12E+05	5.71E+05	4.77E+05	4.99E+05	3.48E+05	4.41E+05	3.18E+05	4.77E+05	2.41E+05	4.37E+05	4.38E+05	2.98E+05	4.25E+05	5.5E+05	4.71E+05	4.33E+05	4.77E+05	4.18E+05	5.14E+05	6.53E+05	4.45E+05	5.22E+05	5.13E+05	5.92E+05	4.28E+05	4.79E+05	4.75E+05	5.06E+05	3.58E+05	4.73E+05	5.07E+05	6.3E+05
N-(Acetyloxy)benzenamine	2.54E+05	3.09E+05	3.8E+05	4.32E+05	3.85E+05	4.12E+05	4.3E+05	4.91E+05	3.9E+05	4.37E+05	3.62E+05	5.87E+05	4.55E+05	3.43E+05	4.21E+05	5.31E+05	3.79E+05	4.27E+05	4.45E+05	3.07E+05	3.16E+05	1.64E+05	4.19E+05	2.16E+05	3.4E+05	3.76E+05	4.07E+05	3.34E+05	5.46E+05	4.42E+05	4.25E+05	3.12E+05	6.09E+05	3.16E+05	4.71E+05	5.23E+05	5.11E+05	2.91E+05	2.79E+05	3.9E+05	5.36E+05	3.51E+05	4.8E+05	6.03E+05	3.51E+05
N,N'-Diacetylhydrazine	2.21E+07	1.5E+06	1.29E+06	2.68E+07	1.56E+06	1.65E+06	1.64E+06	3.06E+07	1.4E+06	1.56E+06	1.57E+06	1.9E+06	1.41E+06	1.49E+06	1.43E+06	1.77E+06	1.37E+06	1.38E+06	1.38E+06	2.02E+07	2.14E+07	6.4E+05	1.6E+06	1.01E+06	1.13E+06	1.59E+06	1.36E+06	1.11E+06	3.22E+07	1.75E+06	1.41E+06	1.2E+06	1.98E+06	1.18E+06	1.31E+06	2.65E+07	1.56E+06	1.93E+07	1.2E+06	1.43E+06	1.8E+06	1.29E+06	1.9E+06	2.06E+06	1.46E+06
N6-(delta2-Isopentenyl)-adenine	1.75E+06	3.29E+06	4.23E+06	3.31E+06	4.49E+06	3.24E+06	5.69E+06	6.19E+06	5.17E+06	7.61E+06	1.65E+06	6.21E+06	7.12E+06	1.69E+06	2.51E+06	2.79E+06	4.29E+06	4.59E+06	8.17E+06	3.62E+06	3.31E+06	6.51E+05	2.2E+06	1.67E+06	1.13E+06	4.4E+06	3.69E+06	2.04E+06	8.49E+06	7.12E+06	2.21E+06	3.29E+06	5.52E+06	4.27E+06	4.72E+06	7.24E+06	3.85E+06	3.28E+06	4.07E+06	6.1E+06	2.09E+06	4.26E+06	4.95E+06	6.53E+06	2.62E+06
N-ACETYL-DL-GLUTAMIC ACID	5.05E+05	3.8E+05	4.35E+05	5.03E+05	5.33E+05	9.04E+05	5.96E+05	8.29E+05	5.7E+05	6.34E+05	5.44E+05	7.19E+05	5.54E+05	5.49E+05	6.05E+05	6.65E+05	4.61E+05	6.85E+05	6.35E+05	3.52E+05	3.6E+05	2.24E+05	7.96E+05	3.34E+05	4.5E+05	6.61E+05	5.96E+05	3.64E+05	9.13E+05	5.11E+05	5.7E+05	4.57E+05	6.66E+05	4.47E+05	5.48E+05	7.59E+05	5.75E+05	3.82E+05	4.88E+05	6.84E+05	6.46E+05	4.19E+05	5.9E+05	6.8E+05	4.94E+05
N-Acetyl-L-histidine	3.02E+06	3.75E+06	4.91E+06	6.55E+06	4.46E+06	4.57E+06	4.56E+06	4.22E+06	3.86E+06	5.31E+06	4.21E+06	1.02E+07	4.45E+06	3.48E+06	4.59E+06	5.23E+06	3.56E+06	5.43E+06	4.74E+06	3.21E+06	3.43E+06	1.31E+06	5.22E+06	2.27E+06	2.74E+06	4.02E+06	2.54E+06	2.8E+06	6.61E+06	4.72E+06	4.75E+06	2.87E+06	7.53E+06	3.22E+06	5.68E+06	5.81E+06	1.08E+07	2.93E+06	2.93E+06	5.13E+06	7.61E+06	4.02E+06	4.96E+06	9.67E+06	5.02E+06
N-Acetyl-L-leucine	2.11E+05	1.21E+05	5.67E+05	3.38E+05	1.58E+05	1.56E+05	1.42E+05	1.72E+05	1.17E+05	3.01E+05	1.22E+05	1.93E+05	1.62E+05	1.89E+05	1.21E+05	8.74E+05	1.23E+05	6.28E+05	3.93E+05	9.11E+04	1.09E+05	4.2E+04	1.31E+05	1.55E+05	6.3E+04	2.41E+05	1.46E+05	8.86E+04	2.33E+05	1.7E+05	1.99E+05	1.12E+05	2.41E+05	1.08E+05	2.76E+05	3.58E+05	2.42E+05	1.03E+05	1.07E+05	2.06E+05	2.37E+05	1.92E+05	1.74E+05	2.24E+05	2.58E+05
N-Acetyl-L-phenylalanine	1.03E+06	1.03E+06	1.03E+06	1.01E+06	1.04E+06	9.74E+05	9.68E+05	1.01E+06	9.46E+05	9.34E+05	9.53E+05	9.6E+05	1.02E+06	9.79E+05	1.04E+06	9.16E+05	1.03E+06	9.59E+05	9.39E+05	9.55E+05	1.12E+06	1E+06	1.06E+06	9.95E+05	1.03E+06	1.06E+06	1.07E+06	1.07E+06	8.99E+05	9.84E+05	9.63E+05	8.99E+05	9.83E+05	9.75E+05	9.29E+05	9.11E+05	9.69E+05	9.27E+05	9.68E+05	1.01E+06	9.95E+05	1.01E+06	9.98E+05	1.03E+06	9.62E+05
N-Acetylornithine	1.1E+06	1.64E+06	1.74E+06	6.29E+05	1.61E+06	2.05E+06	1.22E+06	2.96E+06	2.31E+06	1.36E+06	1.76E+06	1.84E+06	1.75E+06	2.6E+06	1.64E+06	1.87E+06	1.81E+06	1.6E+06	1.11E+06	1.87E+06	7.72E+05	4.22E+05	2.03E+06	1.26E+06	1.14E+06	2E+06	1.55E+06	8.17E+05	2.55E+06	1.38E+06	1.5E+06	1.43E+06	2.57E+06	1.01E+06	1.08E+06	1.25E+06	1.25E+06	7.27E+05	1.86E+06	1.55E+06	1.02E+06	1.28E+06	2.63E+06	2.74E+06	1.12E+06
N-ACETYLPUTRESCINE	2.66E+04	1.22E+04	1.7E+06	7.89E+05	4.33E+04	7.69E+04	4.51E+04	1.02E+04	2.31E+04	9.93E+05	1.58E+04	1.05E+04	4.51E+04	9.15E+04	1.16E+04	7.69E+05	1.19E+04	1.25E+06	1.2E+06	6.52E+03	4E+04	5.34E+04	2.57E+04	3.4E+04	5.11E+04	1.15E+05	9.86E+04	1.92E+04	5.88E+03	1.2E+05	5.36E+05	4.49E+04	1.33E+04	1.25E+05	8.12E+04	1.37E+06	1.72E+06	2.34E+04	1.3E+04	9.35E+03	1.49E+05	1.16E+04	1.04E+04	1.16E+06	6.5E+04
N-Amidino-L-glutamate	1.42E+06	1.43E+06	1.43E+06	1.49E+06	1.66E+06	1.52E+06	1.48E+06	1.39E+06	1.46E+06	1.43E+06	1.35E+06	1.43E+06	1.4E+06	1.52E+06	1.44E+06	1.52E+06	1.27E+06	1.33E+06	1.55E+06	1.36E+06	1.42E+06	1.48E+06	1.41E+06	1.4E+06	1.3E+06	1.34E+06	1.49E+06	1.44E+06	1.36E+06	1.45E+06	1.38E+06	1.33E+06	1.35E+06	1.67E+06	1.42E+06	1.39E+06	1.4E+06	1.35E+06	1.37E+06	1.52E+06	1.39E+06	1.37E+06	1.48E+06	1.46E+06	1.59E+06
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE	1.65E+06	2.65E+06	3.46E+06	4.79E+06	3.38E+06	4.21E+06	2.86E+06	4.88E+06	3.77E+06	5.48E+06	3.64E+06	4.3E+06	3.86E+06	2.77E+06	4.14E+06	3.05E+06	3.74E+06	4.46E+06	3.7E+06	2.92E+06	3.93E+06	1.96E+06	3.81E+06	2.85E+06	3E+06	3.93E+06	4.65E+06	2.73E+06	4.22E+06	3.63E+06	4.7E+06	3.68E+06	5.7E+06	3.02E+06	4.22E+06	4.9E+06	4.76E+06	2.42E+06	3.7E+06	4.89E+06	3.66E+06	3.34E+06	3.74E+06	5.3E+06	5.14E+06
N-Ethylglycocyamine	1.38E+08	1.39E+08	1.34E+08	1.4E+08	1.44E+08	1.39E+08	1.34E+08	1.35E+08	1.27E+08	1.25E+08	1.32E+08	1.33E+08	1.33E+08	1.35E+08	1.3E+08	1.39E+08	1.29E+08	1.21E+08	1.34E+08	1.26E+08	1.22E+08	1.34E+08	1.27E+08	1.22E+08	1.25E+08	1.24E+08	1.33E+08	1.28E+08	1.32E+08	1.29E+08	1.21E+08	1.3E+08	1.26E+08	1.33E+08	1.28E+08	1.27E+08	1.23E+08	1.29E+08	1.21E+08	1.4E+08	1.38E+08	1.44E+08	1.41E+08	1.47E+08	1.37E+08
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	6.55E+06	7.75E+06	7.73E+06	9.2E+06	8.83E+06	9.46E+06	9.5E+06	9.84E+06	7.24E+06	9.9E+06	8.72E+06	1.14E+07	9.5E+06	6.6E+06	7.51E+06	9.47E+06	8.22E+06	8.83E+06	8.05E+06	6.33E+06	6.52E+06	3.24E+06	8.81E+06	5.37E+06	4.83E+06	8.53E+06	7.46E+06	7E+06	1.28E+07	8.23E+06	9.48E+06	6.41E+06	1.29E+07	5.82E+06	8.55E+06	9.79E+06	1.14E+07	5.34E+06	7.93E+06	1.12E+07	1.02E+07	6.23E+06	1.06E+07	1.45E+07	9.45E+06
Nicotinamide	6.37E+06	9.13E+06	7.13E+06	7.62E+06	7.99E+06	7.06E+06	7.99E+06	7.54E+06	7.37E+06	8.7E+06	9.95E+06	1.1E+07	8.95E+06	7.27E+06	7.78E+06	8.08E+06	8.36E+06	7.16E+06	8.1E+06	7.73E+06	8.88E+06	5.53E+06	8.28E+06	6.55E+06	7.87E+06	7.72E+06	7.87E+06	8.43E+06	1.16E+07	7.73E+06	6.98E+06	7.54E+06	1.03E+07	5.37E+06	8.4E+06	8.31E+06	9.75E+06	6.48E+06	6.66E+06	9.42E+06	1.04E+07	6.42E+06	1.01E+07	7.36E+06	6.86E+06
Nicotinate	1.83E+06	3.49E+06	2.59E+06	3.87E+06	4.29E+06	4.12E+06	1.95E+06	2.33E+06	2.42E+06	2.04E+06	2.05E+06	4.86E+06	3E+06	1.32E+06	2.87E+06	1.67E+06	3.46E+06	1.8E+06	2.1E+06	1.95E+06	3.05E+06	1.12E+06	1.86E+06	2.08E+06	1.52E+06	1.7E+06	4.75E+06	2.99E+06	3.05E+06	1.84E+06	1.24E+06	2.08E+06	4.46E+06	2.72E+06	2.59E+06	2.03E+06	4.33E+06	2.24E+06	1.33E+06	2.93E+06	2.13E+06	1.93E+06	2.18E+06	2.75E+06	3.87E+06
N-METHYL-D-ASPARTIC ACID	1.17E+08	1.11E+08	9.19E+07	1.27E+08	1.39E+08	1.43E+08	1.08E+08	1.22E+08	9.26E+07	1.09E+08	1.14E+08	1.23E+08	1.25E+08	1.03E+08	1.11E+08	1.88E+08	1.01E+08	1.12E+08	1.08E+08	1.01E+08	8.87E+07	5.7E+07	1.59E+08	7.22E+07	9.87E+07	1.07E+08	1.29E+08	1.15E+08	1.86E+08	1.04E+08	1.42E+08	9.69E+07	1.94E+08	8.21E+07	1.01E+08	1.12E+08	1.42E+08	8.05E+07	9.81E+07	1.07E+08	1.55E+08	9.74E+07	1.43E+08	1.69E+08	1.35E+08
N-Methylethanolamine phosphate_1	2.39E+06	3.3E+06	2.68E+06	3.9E+06	2.94E+06	2.61E+06	3.36E+06	3.17E+06	2.91E+06	3.26E+06	3.07E+06	4.24E+06	3.23E+06	2.53E+06	2.93E+06	3.52E+06	3.14E+06	3.19E+06	2.87E+06	2.76E+06	2.6E+06	2.61E+06	3.37E+06	2.27E+06	2.26E+06	2.71E+06	2.98E+06	2.36E+06	3.86E+06	2.19E+06	2.04E+06	2.65E+06	3.64E+06	2.44E+06	2.53E+06	3.1E+06	3.68E+06	2.65E+06	2.35E+06	2.71E+06	3.5E+06	2.66E+06	3.8E+06	1.96E+06	2.81E+06
N-Methylethanolamine phosphate_2	2.78E+05	2.78E+05	2.75E+05	2.76E+05	2.71E+05	2.62E+05	2.63E+05	2.79E+05	2.51E+05	2.74E+05	2.67E+05	2.72E+05	2.57E+05	2.52E+05	2.39E+05	2.7E+05	2.38E+05	2.44E+05	2.74E+05	2.36E+05	2.33E+05	2.49E+05	2.44E+05	2.48E+05	2.2E+05	2.36E+05	2.57E+05	2.38E+05	2.44E+05	2.4E+05	2.23E+05	2.39E+05	2.31E+05	2.64E+05	2.35E+05	2.29E+05	2.32E+05	2.38E+05	2.15E+05	2.27E+05	3.02E+05	2.96E+05	2.79E+05	2.97E+05	2.82E+05
Octylamine	6.05E+06	5.94E+06	6.53E+06	5.99E+06	6.06E+06	5.81E+06	6.13E+06	5.51E+06	6.16E+06	6.08E+06	6.34E+06	6.28E+06	5.91E+06	5.69E+06	6.04E+06	5.48E+06	6.24E+06	5.51E+06	5.93E+06	5.86E+06	6.07E+06	6.36E+06	5.6E+06	6.12E+06	5.97E+06	5.94E+06	6.17E+06	6.05E+06	6.2E+06	5.6E+06	5.63E+06	5.84E+06	5.62E+06	6.01E+06	5.85E+06	5.53E+06	5.96E+06	5.89E+06	5.74E+06	5.98E+06	6E+06	5.88E+06	6.01E+06	6.06E+06	6.27E+06
Orthophosphate	4.69E+06	4.1E+06	5.96E+06	6.05E+06	5.44E+06	5.18E+06	4.78E+06	4.29E+06	4.55E+06	4.19E+06	5.11E+06	4.98E+06	4.16E+06	4.81E+06	4.87E+06	5.16E+06	4.11E+06	5.05E+06	4.34E+06	4.64E+06	4.69E+06	3.85E+06	6.18E+06	4.81E+06	3.92E+06	4.91E+06	5.4E+06	5.99E+06	4.64E+06	4.46E+06	4.59E+06	4.25E+06	5.12E+06	4.73E+06	4.95E+06	5.52E+06	6.42E+06	4.25E+06	4.4E+06	4.69E+06	5.67E+06	4.6E+06	4.45E+06	5.03E+06	6.33E+06
Oxethazaine	2.55E+05	2.94E+05	2.67E+05	2.66E+05	2.44E+05	3.3E+05	3.23E+05	2.76E+05	2.4E+05	3.12E+05	2.71E+05	3.06E+05	2.75E+05	2.96E+05	3.01E+05	2.61E+05	3.18E+05	3.05E+05	2.64E+05	3.5E+05	2.76E+05	2.97E+05	2.95E+05	2.93E+05	2.95E+05	3.21E+05	2.86E+05	2.96E+05	2.85E+05	3.19E+05	2.51E+05	3.19E+05	2.69E+05	2.94E+05	3.1E+05	3.19E+05	3.02E+05	2.99E+05	3.08E+05	3.09E+05	2.26E+05	1.37E+06	2.91E+05	3.18E+05	3.02E+05
Paspalinine	4.66E+06	4.9E+06	4.81E+06	4.6E+06	5.24E+06	4.7E+06	4.69E+06	4.44E+06	4.74E+06	4.57E+06	4.96E+06	4.85E+06	4.82E+06	4.69E+06	4.85E+06	4.83E+06	4.91E+06	4.83E+06	4.68E+06	4.94E+06	4.31E+06	4.57E+06	4.58E+06	4.71E+06	4.91E+06	4.49E+06	4.86E+06	4.63E+06	4.81E+06	4.66E+06	4.38E+06	4.62E+06	4.42E+06	5.13E+06	5.03E+06	4.51E+06	4.38E+06	4.62E+06	4.79E+06	4.32E+06	6.64E+06	5.33E+06	4.72E+06	4.91E+06	4.82E+06
Phendimetrazine	9.33E+05	9.05E+05	8.82E+05	8.92E+05	8.84E+05	8.54E+05	8.54E+05	8.45E+05	8.55E+05	8.86E+05	8.27E+05	9.3E+05	7.83E+05	8.38E+05	8.4E+05	8.73E+05	7.8E+05	8.48E+05	8.45E+05	7.83E+05	8.77E+05	7.87E+05	9.55E+05	8.8E+05	8.21E+05	7.48E+05	8.24E+05	8.56E+05	7.23E+05	7.65E+05	8.14E+05	8.24E+05	7.77E+05	8.14E+05	7.85E+05	7.66E+05	8.14E+05	8.68E+05	8.08E+05	7.68E+05	9.13E+05	9.06E+05	9.19E+05	9.01E+05	9.17E+05
Phenmetrazine	6.68E+05	6.38E+05	7E+05	6.36E+05	7.07E+05	7.12E+05	6.63E+05	6.93E+05	7.38E+05	6.68E+05	7.4E+05	7E+05	6.55E+05	6.7E+05	7.23E+05	7.52E+05	7.68E+05	6.81E+05	6.85E+05	6.69E+05	6.86E+05	6.79E+05	6.35E+05	7.89E+05	6.83E+05	6.88E+05	6.75E+05	6.22E+05	6.67E+05	7.18E+05	6.55E+05	6.6E+05	6.72E+05	7.41E+05	6.86E+05	6.49E+05	6.42E+05	6.5E+05	7.5E+05	7.11E+05	6.85E+05	6.87E+05	7.23E+05	6.75E+05	6.54E+05
Phenylacetaldehyde	3.29E+06	3.91E+06	3.51E+06	3.72E+06	3.73E+06	4.04E+06	3.91E+06	4.19E+06	3.16E+06	4.1E+06	4.26E+06	5.38E+06	3.99E+06	3.53E+06	3.72E+06	4.66E+06	3.75E+06	3.69E+06	4.19E+06	3.71E+06	3.54E+06	1.91E+06	3.83E+06	2.5E+06	2.82E+06	3.8E+06	3.37E+06	3.54E+06	5.77E+06	3.88E+06	3.72E+06	3.12E+06	5.14E+06	2.87E+06	3.9E+06	3.7E+06	4.12E+06	3.26E+06	3.07E+06	4.12E+06	4.78E+06	3.37E+06	4.84E+06	4.62E+06	4.45E+06
Phenylethyl alcohol	5.94E+05	5.74E+05	5.88E+05	5.63E+05	5.63E+05	5.84E+05	6.07E+05	5.55E+05	5.59E+05	5.6E+05	5.78E+05	5.84E+05	5.6E+05	5.62E+05	6.32E+05	5.56E+05	5.7E+05	5.55E+05	5.5E+05	5.42E+05	5.79E+05	6.19E+05	6.09E+05	5.73E+05	5.8E+05	6.27E+05	6.33E+05	5.88E+05	6.32E+05	5.64E+05	5.84E+05	6.16E+05	5.89E+05	6.36E+05	5.68E+05	5.7E+05	5.65E+05	6.23E+05	5.68E+05	6.16E+05	5.66E+05	5.81E+05	5.94E+05	5.89E+05	5.58E+05
Phenylhydrazine	5.01E+05	5.47E+05	4.34E+05	4.29E+05	3.95E+05	4.94E+05	5.06E+05	4.23E+05	5.77E+05	5.41E+05	6.03E+05	5.07E+05	5.36E+05	6.75E+05	6.68E+05	5.85E+05	7.29E+05	6.98E+05	5.22E+05	6.87E+05	6.02E+05	6.7E+05	6.66E+05	6.96E+05	6.53E+05	6.35E+05	5.94E+05	6.43E+05	6.61E+05	6.94E+05	7.74E+05	5.77E+05	7.41E+05	6.4E+05	7.3E+05	7.54E+05	7.23E+05	9.36E+05	6.65E+05	8.75E+05	3.78E+05	3.45E+05	4.1E+05	4.67E+05	4.65E+05
PHOSPHOCHOLINE	1.12E+08	1.17E+08	1.38E+08	1.45E+08	1.6E+08	1.63E+08	1.65E+08	1.72E+08	1.39E+08	1.34E+08	1.36E+08	1.64E+08	1.28E+08	1.39E+08	1.48E+08	1.61E+08	1.23E+08	1.37E+08	1.39E+08	1.03E+08	1.07E+08	4.96E+07	1.45E+08	1.02E+08	9.47E+07	1.4E+08	1.25E+08	1.06E+08	1.44E+08	1.3E+08	1.34E+08	1.26E+08	1.45E+08	1.08E+08	1.46E+08	1.56E+08	1.68E+08	1.03E+08	1.34E+08	1.24E+08	1.86E+08	1.15E+08	1.42E+08	1.93E+08	1.33E+08
Phytuberin	2.45E+06	2.51E+06	2.52E+06	2.51E+06	2.53E+06	2.45E+06	2.53E+06	2.5E+06	2.35E+06	2.34E+06	2.5E+06	2.57E+06	2.51E+06	2.36E+06	2.45E+06	2.22E+06	2.27E+06	2.16E+06	2.28E+06	2.48E+06	2.26E+06	2.39E+06	2.46E+06	2.35E+06	2.43E+06	2.44E+06	2.58E+06	2.31E+06	2.37E+06	2.31E+06	2.31E+06	2.12E+06	2.31E+06	2.57E+06	2.34E+06	2.29E+06	2.38E+06	2.41E+06	2.35E+06	2.36E+06	2.58E+06	2.49E+06	2.39E+06	2.62E+06	2.29E+06
Piperidine	2.23E+05	2.03E+05	2.55E+05	2.35E+05	2.57E+05	1.42E+05	1.87E+05	1.78E+05	1.97E+05	1.53E+05	1.89E+05	1.61E+05	1.63E+05	2.1E+05	1.7E+05	1.58E+05	1.55E+05	1.53E+05	1.8E+05	1.36E+05	1.6E+05	1.74E+05	1.62E+05	1.55E+05	1.53E+05	1.43E+05	1.98E+05	1.57E+05	1.5E+05	1.45E+05	2.23E+05	1.23E+05	1.62E+05	1.5E+05	1.58E+05	1.43E+05	1.6E+05	2.03E+05	2.36E+05	1.56E+05	6.64E+05	4.22E+05	2.32E+05	2.81E+05	2.51E+05
Pirbuterol	8.59E+05	9.64E+05	8.82E+05	1.11E+06	1.13E+06	1.23E+06	1.24E+06	1.42E+06	1.15E+06	1.18E+06	1.12E+06	1.51E+06	1.22E+06	1.17E+06	1.04E+06	1.37E+06	1.05E+06	1.1E+06	1.24E+06	7.44E+05	7.64E+05	3.4E+05	1.52E+06	6.81E+05	7.14E+05	1.36E+06	1.02E+06	7.4E+05	1.76E+06	1.21E+06	1.2E+06	1.07E+06	1.59E+06	8.94E+05	1.07E+06	1.32E+06	1.57E+06	7.64E+05	1.17E+06	1.12E+06	1.33E+06	8.18E+05	1.29E+06	1.72E+06	1E+06
Precocene II	1.69E+06	1.81E+06	1.74E+06	1.75E+06	1.56E+06	1.77E+06	1.74E+06	1.73E+06	1.82E+06	1.85E+06	1.94E+06	1.84E+06	1.78E+06	1.81E+06	1.81E+06	1.72E+06	1.78E+06	1.91E+06	1.76E+06	1.7E+06	1.76E+06	1.74E+06	1.78E+06	1.72E+06	1.67E+06	1.66E+06	1.85E+06	1.8E+06	1.84E+06	1.76E+06	1.72E+06	1.71E+06	1.67E+06	1.88E+06	1.77E+06	1.75E+06	1.84E+06	1.84E+06	1.82E+06	1.67E+06	1.8E+06	1.79E+06	1.9E+06	1.79E+06	1.76E+06
Propanoate	5.57E+05	1.11E+06	8.65E+05	1.04E+06	1.95E+06	1.81E+06	1.28E+06	1.26E+06	1.59E+06	6.56E+05	1.04E+06	2.39E+06	1.37E+06	1.67E+06	1.35E+06	1.12E+06	1.27E+06	5.83E+05	9.6E+05	7.16E+05	5.49E+05	2.16E+05	1.05E+06	8.03E+05	3.62E+05	5.48E+05	1.14E+06	1.07E+06	8.55E+05	1.17E+06	5.68E+05	8.01E+05	2.6E+06	1.02E+06	1.15E+06	1.27E+06	1.51E+06	7.9E+05	5.52E+05	1.06E+06	6.84E+05	4.49E+05	9.97E+05	1.1E+06	1.16E+06
Prostaglandin H2	4.54E+05	4.75E+05	4.31E+05	4.57E+05	4.54E+05	4.05E+05	4.58E+05	4.34E+05	4.54E+05	4.46E+05	4.46E+05	4.54E+05	4.54E+05	4.18E+05	4.22E+05	4.11E+05	4.35E+05	4.08E+05	4.62E+05	4.38E+05	4.1E+05	4.62E+05	4.41E+05	4.44E+05	4.13E+05	4.18E+05	4.46E+05	4.51E+05	4.13E+05	4.24E+05	4.46E+05	4.35E+05	4.1E+05	4.38E+05	4.33E+05	4.15E+05	4.21E+05	4.26E+05	4.49E+05	4.61E+05	4.64E+05	5E+05	4.61E+05	4.63E+05	5.09E+05
Protoanemonin	2.57E+06	2.48E+06	2.8E+06	3.01E+06	3.58E+06	3.67E+06	3.76E+06	3.58E+06	2.94E+06	2.49E+06	2.8E+06	4.74E+06	3.34E+06	3.07E+06	3.01E+06	4.15E+06	3.02E+06	3.41E+06	3.47E+06	2.37E+06	2.18E+06	1.08E+06	4.42E+06	1.7E+06	2.41E+06	3.9E+06	2.85E+06	2.29E+06	4.13E+06	3.1E+06	3.56E+06	2.26E+06	3.98E+06	2.42E+06	3.14E+06	3.05E+06	4.03E+06	2.01E+06	2.43E+06	2.98E+06	4.2E+06	2.54E+06	3.49E+06	4.6E+06	3.31E+06
Psicofuranine	2.42E+05	3.05E+05	2.88E+05	3.67E+05	3.75E+05	4.18E+05	3.26E+05	3.79E+05	2.87E+05	2.79E+05	3.45E+05	4.19E+05	3.32E+05	3.17E+05	3.34E+05	3.89E+05	2.92E+05	2.94E+05	2.93E+05	2.47E+05	2.5E+05	1.29E+05	3.84E+05	1.94E+05	2.47E+05	3.2E+05	3.04E+05	2.64E+05	5.05E+05	3.18E+05	3.1E+05	2.75E+05	5.19E+05	2.55E+05	3E+05	3.01E+05	4.19E+05	1.95E+05	2.57E+05	3.43E+05	3.5E+05	2.74E+05	4.12E+05	5.84E+05	2.98E+05
Pulcherriminic acid	2.21E+06	1.46E+07	2.26E+06	1.36E+07	2.34E+06	1.94E+06	8.44E+06	7.72E+06	6.43E+06	2.69E+06	1.1E+07	2.51E+07	1.26E+07	2.77E+06	7.32E+06	3.54E+06	1.29E+07	7.76E+06	3.6E+06	1.21E+07	1.28E+07	7.65E+06	7.88E+06	2.9E+06	1.61E+07	5.2E+06	1.68E+07	1.17E+07	1.67E+07	7.74E+05	8.01E+05	5.96E+06	1.13E+07	5.09E+06	2.48E+06	6.11E+06	1.41E+07	7.21E+06	6.27E+06	1.13E+07	3.98E+06	5.5E+05	1.58E+07	2.37E+05	2.28E+06
PUTRESCINE	7.48E+05	3.57E+05	2.44E+06	3.24E+06	9.58E+05	9.56E+05	7.15E+05	8.55E+05	9.47E+05	3.04E+06	9.79E+05	1.06E+06	1.21E+06	1.01E+06	9.5E+05	2.78E+06	9E+05	2.99E+06	3.17E+06	7.94E+05	9.88E+05	3.69E+05	1.24E+06	3.2E+05	3.77E+05	1.15E+06	8.96E+05	1.29E+06	1.28E+06	2.02E+06	2.5E+06	8.49E+05	1.58E+06	4.21E+05	2.15E+06	3.24E+06	3.18E+06	6.95E+05	6.09E+05	1.14E+06	2.6E+06	8.16E+05	1.31E+06	4.24E+06	2.39E+06
Riboflavin	1.25E+06	1.23E+06	1.29E+06	1.77E+06	1.64E+06	1.41E+06	1.52E+06	1.73E+06	1.45E+06	1.55E+06	1.47E+06	1.85E+06	1.58E+06	1.23E+06	1.37E+06	1.62E+06	1.62E+06	1.43E+06	1.36E+06	1.38E+06	1.33E+06	7.66E+05	1.76E+06	9.5E+05	9.02E+05	1.43E+06	1.3E+06	1.25E+06	1.64E+06	1.41E+06	1.67E+06	1.17E+06	2.33E+06	1.37E+06	1.4E+06	1.72E+06	2.17E+06	1.01E+06	1.36E+06	1.43E+06	1.68E+06	1.33E+06	1.52E+06	2.18E+06	1.55E+06
S-(2-Chloroethyl)glutathione	6.05E+06	6.26E+06	6.88E+06	5.98E+06	6.52E+06	6.24E+06	6.2E+06	5.93E+06	6.39E+06	5.59E+06	6.36E+06	5.88E+06	5.96E+06	6.45E+06	6.08E+06	6.23E+06	6.16E+06	5.95E+06	5.58E+06	5.67E+06	6.12E+06	5.28E+06	6.47E+06	5.97E+06	6.36E+06	5.49E+06	6.27E+06	5.92E+06	6.07E+06	6.5E+06	6.11E+06	6.25E+06	5.59E+06	6.53E+06	6.37E+06	6.18E+06	6.21E+06	5.88E+06	6.16E+06	6.07E+06	6.65E+06	6.07E+06	6.94E+06	5.71E+06	7.2E+06
Schizonepetoside E	8.7E+05	8.69E+05	7.98E+05	7.84E+05	8.06E+05	7.64E+05	7.67E+05	7.66E+05	7.06E+05	8.25E+05	7.73E+05	8.14E+05	7.28E+05	8.81E+05	6.96E+05	7.45E+05	7.75E+05	7.33E+05	7.66E+05	7.18E+05	7.18E+05	7.61E+05	7.13E+05	8.27E+05	6.98E+05	7.92E+05	7.28E+05	7.42E+05	8.85E+05	7.7E+05	7.43E+05	6.51E+05	7.92E+05	7.92E+05	7.17E+05	7.88E+05	7.08E+05	7.95E+05	7.49E+05	6.73E+05	8.75E+05	8.01E+05	8.68E+05	7.89E+05	7.81E+05
sn-Glycero-3-phospho-1-inositol	1.84E+06	1.73E+06	1.48E+06	1.89E+06	1.96E+06	1.85E+06	1.77E+06	1.78E+06	1.54E+06	1.68E+06	2.02E+06	1.79E+06	1.42E+06	1.66E+06	1.9E+06	1.98E+06	1.47E+06	1.78E+06	1.51E+06	1.47E+06	1.49E+06	9.34E+05	1.97E+06	1.57E+06	1.54E+06	1.84E+06	1.48E+06	1.57E+06	2.05E+06	1.48E+06	1.91E+06	1.5E+06	2.08E+06	1.66E+06	1.67E+06	1.68E+06	2.38E+06	1.24E+06	1.73E+06	1.85E+06	1.98E+06	1.56E+06	2.21E+06	2.04E+06	1.97E+06
sn-Glycero-3-phosphoethanolamine	5.35E+06	5.81E+06	5.19E+06	6.47E+06	6.74E+06	6.5E+06	6.19E+06	7.19E+06	4.81E+06	5.14E+06	5.9E+06	6.92E+06	5.06E+06	5.45E+06	5.14E+06	7.18E+06	4.67E+06	6.24E+06	5.29E+06	5.1E+06	4.26E+06	3.18E+06	6.75E+06	3.39E+06	5.29E+06	5.62E+06	4.89E+06	5.08E+06	7.39E+06	5.53E+06	5.75E+06	4.51E+06	7.24E+06	5.1E+06	5.37E+06	5.71E+06	7.84E+06	4.14E+06	4.58E+06	5.91E+06	7.15E+06	4.84E+06	8.3E+06	6.94E+06	6.41E+06
SN-GLYCEROL 3-PHOSPHATE	3.78E+06	2.31E+06	2.26E+06	3.62E+06	3.36E+06	4.11E+06	3.05E+06	3.01E+06	2.62E+06	2.53E+06	3.82E+06	2.81E+06	2.01E+06	3.82E+06	3.57E+06	4.09E+06	2.29E+06	3.38E+06	2.53E+06	2.69E+06	2.35E+06	3.03E+06	4.27E+06	2.93E+06	3.57E+06	2.53E+06	3.16E+06	3.37E+06	2.84E+06	2.46E+06	3.55E+06	2.67E+06	3.17E+06	2.43E+06	3.06E+06	3.3E+06	3.68E+06	2.39E+06	2.43E+06	2.35E+06	4.33E+06	2.58E+06	3.26E+06	2.34E+06	3.26E+06
SPERMIDINE	5.05E+06	3.42E+06	9.9E+06	1.45E+07	7.76E+06	8.12E+06	7.87E+06	7.93E+06	6.36E+06	1.25E+07	5.69E+06	8.81E+06	7.11E+06	7.54E+06	6.37E+06	1.34E+07	6.38E+06	1.17E+07	1.21E+07	7.1E+06	3.92E+06	3.73E+06	9.93E+06	2.85E+06	3.03E+06	7.21E+06	6.31E+06	4.34E+06	9.93E+06	1.27E+07	1.42E+07	6.14E+06	1.1E+07	4.83E+06	1.21E+07	1.65E+07	1.74E+07	5.11E+06	6.43E+06	7.45E+06	1.18E+07	6.97E+06	9.02E+06	1.62E+07	1.41E+07
Succinic anhydride	7.31E+05	5.03E+05	7.03E+05	5E+05	4.07E+05	7.89E+05	3.28E+05	5.55E+05	3.34E+05	8.98E+05	1.09E+06	9.09E+05	4.88E+05	1.32E+06	4.67E+05	1.89E+06	4.59E+05	8.34E+05	6.99E+05	4.52E+05	8.4E+05	6.54E+05	1.6E+06	3.82E+05	1.42E+06	4.48E+05	4.1E+05	4.37E+05	5.98E+05	9.32E+05	1.73E+06	4.16E+05	8.54E+05	3.83E+05	8.15E+05	9.28E+05	7.09E+05	3.75E+05	3.55E+05	7.12E+05	1.78E+06	7.42E+05	5.58E+05	9.56E+05	5.54E+05
Succinimide	4.31E+05	4.52E+05	3.73E+05	4.98E+05	4.79E+05	4.76E+05	5.3E+05	5.01E+05	4.28E+05	4.55E+05	5.09E+05	5.66E+05	4.53E+05	5.01E+05	4.04E+05	4.84E+05	5.08E+05	5.06E+05	4.65E+05	4.65E+05	2.66E+05	2.79E+05	4.72E+05	3.84E+05	2.75E+05	4.87E+05	4.02E+05	3.82E+05	6.24E+05	4.37E+05	4.6E+05	4.17E+05	6.19E+05	3.68E+05	3.59E+05	4.16E+05	4.93E+05	3.2E+05	3.54E+05	4.71E+05	4.43E+05	3.83E+05	5.41E+05	5.61E+05	4.24E+05
SUCROSE	2.53E+07	2.21E+07	2.46E+07	2.63E+07	2.78E+07	2.72E+07	2.66E+07	3.02E+07	2.56E+07	2.35E+07	2.54E+07	2.58E+07	2.27E+07	2.49E+07	2.54E+07	3.1E+07	2.38E+07	2.63E+07	2.58E+07	2.22E+07	2.13E+07	1.53E+07	2.72E+07	1.83E+07	2.18E+07	2.57E+07	2.24E+07	2.01E+07	2.67E+07	2.69E+07	2.86E+07	2.2E+07	2.88E+07	2.13E+07	2.56E+07	2.54E+07	2.41E+07	2.18E+07	2.31E+07	2.39E+07	3.07E+07	2.51E+07	2.63E+07	3E+07	2.83E+07
Sulcatone	3.5E+04	3.33E+04	4.01E+04	3.8E+04	3.82E+04	3.44E+04	3.94E+04	4.06E+04	3.01E+04	3.65E+04	3.83E+04	3.46E+04	3.4E+04	3.21E+04	3.55E+04	3.41E+04	8.6E+04	3.95E+04	3.79E+04	3.44E+04	2.97E+04	3.72E+04	3.19E+04	3.07E+04	3.2E+04	3.64E+04	3.13E+04	3.25E+04	3.3E+04	4.81E+04	3.63E+04	3.04E+04	3.66E+04	3.51E+04	3.51E+04	2.04E+05	8.05E+04	4.33E+04	3.59E+04	3.29E+04	3.76E+04	4.09E+04	3.63E+04	3.9E+04	4.15E+04
TAURINE	1.17E+07	1.25E+07	1.45E+07	1.56E+07	1.53E+07	1.31E+07	1.4E+07	1.47E+07	1.28E+07	1.37E+07	1.52E+07	1.44E+07	1.16E+07	1.34E+07	1.51E+07	1.43E+07	1.24E+07	1.37E+07	1.18E+07	1.17E+07	1.15E+07	8.62E+06	1.55E+07	1.26E+07	1.37E+07	1.48E+07	1.44E+07	1.34E+07	1.5E+07	1.41E+07	1.35E+07	1.18E+07	1.4E+07	1.43E+07	1.29E+07	1.41E+07	1.74E+07	1.14E+07	1.16E+07	1.34E+07	1.88E+07	1.27E+07	1.48E+07	1.5E+07	1.26E+07
Terpendole G	3.55E+05	2.88E+05	3.71E+05	3.94E+05	2.7E+05	3.1E+05	3.67E+05	5.07E+05	3.07E+05	4.41E+05	2.58E+05	3.12E+05	2.02E+05	2.16E+05	2.32E+05	4.14E+05	3.1E+05	4.53E+05	3.44E+05	2.97E+05	3E+05	6.03E+05	4.39E+05	2.59E+05	2.72E+05	3.21E+05	2.49E+05	9.06E+04	1.72E+05	4.3E+05	3.78E+05	2.41E+05	2.14E+05	2.68E+05	4.51E+05	3.54E+05	4.26E+05	2.66E+05	2.22E+05	1.87E+05	4.85E+05	5.54E+05	3.3E+05	3.85E+05	4.09E+05
Tolmetin sodium	1.46E+07	1.46E+07	1.43E+07	1.3E+07	1.52E+07	1.31E+07	1.45E+07	1.41E+07	1.31E+07	1.32E+07	1.26E+07	1.28E+07	1.39E+07	1.32E+07	1.45E+07	1.45E+07	1.34E+07	1.4E+07	1.23E+07	1.47E+07	1.26E+07	1.14E+07	1.49E+07	1.2E+07	1.42E+07	1.42E+07	1.32E+07	1.33E+07	1.48E+07	1.28E+07	1.27E+07	1.19E+07	1.01E+07	1.24E+07	1.24E+07	1.12E+07	1.23E+07	1.21E+07	1.33E+07	1.35E+07	1.47E+07	1.47E+07	1.62E+07	1.47E+07	1.61E+07
TRANS-4-HYDROXYPROLINE	5.71E+07	3.02E+07	3.42E+07	3.38E+07	3.19E+07	3.87E+07	6.39E+07	6.3E+07	2.78E+07	6.13E+07	4.74E+07	3.22E+07	5.52E+07	4.92E+07	2.31E+07	7.53E+07	4.61E+07	7.52E+07	5.79E+07	6.68E+07	2.44E+07	2.94E+07	6.41E+07	1.21E+07	4.84E+07	6.52E+07	2.22E+07	3.14E+07	8.9E+07	5.37E+07	5.69E+07	3.36E+07	4.25E+07	4E+07	4.29E+07	3.33E+07	4.06E+07	2E+07	4.23E+07	5.05E+07	7.8E+07	5.56E+07	8.37E+07	1.04E+08	3.55E+07
trans-Cinnamate	6.44E+06	6.61E+06	5.51E+06	7.61E+06	7.7E+06	8.37E+06	6.35E+06	7.2E+06	5.37E+06	6.25E+06	6.61E+06	7.72E+06	7.07E+06	5.9E+06	6.43E+06	1.09E+07	5.62E+06	6.57E+06	6.54E+06	5.9E+06	4.99E+06	3.34E+06	9.69E+06	4.08E+06	5.62E+06	6.23E+06	7.58E+06	6.13E+06	1.1E+07	5.72E+06	8.04E+06	5.48E+06	1.08E+07	4.74E+06	5.88E+06	6.49E+06	8.16E+06	4.76E+06	5.69E+06	5.99E+06	8.35E+06	5.55E+06	7.65E+06	1.02E+07	8.03E+06
Trientine	3.19E+05	3.6E+05	3.55E+05	3.33E+05	4.4E+05	4.88E+05	3.78E+05	3.34E+05	3.81E+05	3.43E+05	3.68E+05	3.58E+05	4.13E+05	3.36E+05	3.36E+05	4.13E+05	3.44E+05	3.59E+05	3.88E+05	3.06E+05	3.35E+05	1.49E+05	4.2E+05	2.95E+05	2.89E+05	3.95E+05	3.61E+05	3.17E+05	4.19E+05	4.49E+05	3.49E+05	2.9E+05	3.27E+05	3.04E+05	4.67E+05	3.98E+05	4.88E+05	2.78E+05	3.27E+05	4.76E+05	3.93E+05	3.39E+05	2.95E+05	5.52E+05	4.72E+05
Trimethylamine N-oxide	1.21E+05	8.01E+04	3.45E+04	9.72E+04	1.98E+05	1.44E+05	9.51E+05	8.76E+05	1.6E+05	1.56E+05	1.84E+05	1.7E+05	1.49E+05	2.05E+05	6.97E+05	7.86E+04	1.53E+05	1.17E+05	9.11E+04	9.29E+04	4.35E+04	8.71E+04	5.13E+05	8.78E+04	7.68E+04	3.28E+05	2.48E+05	1.66E+05	2.16E+05	8.11E+04	6.32E+04	1.07E+06	2.69E+05	8.99E+04	4.59E+04	5.27E+04	6.58E+04	2.85E+05	1.56E+06	1.58E+05	5.35E+04	1.5E+05	1.48E+05	8.42E+04	8.75E+04
Tromethamine	1.13E+04	2E+04	0	3.76E+05	1.88E+04	2.49E+04	1.75E+04	2.13E+04	5.29E+03	2.19E+05	1.83E+04	3.04E+04	2.26E+04	6.84E+03	2.04E+04	1.89E+05	1.35E+04	1.45E+04	2.98E+04	6.75E+05	1.69E+04	2.09E+04	1.78E+04	7.65E+04	0	2.84E+04	8.41E+03	5.63E+03	1.63E+05	0	2.09E+04	7.46E+04	3.21E+03	5.18E+04	0	1.08E+04	1.36E+06	1.62E+04	2.06E+04	9.48E+03	0	2.62E+04	9.67E+03	3.66E+04	1.22E+06
Trp-P-1	1.09E+06	9.65E+05	9.03E+05	9.47E+05	9.55E+05	9.66E+05	1.05E+06	8.93E+05	9.43E+05	9.42E+05	9.14E+05	9.18E+05	8.74E+05	9.82E+05	9.62E+05	9.66E+05	9.67E+05	9.77E+05	9.71E+05	1.02E+06	9.82E+05	1.01E+06	9.47E+05	9.81E+05	8.89E+05	1.02E+06	1.06E+06	9.6E+05	9.37E+05	9.71E+05	9.51E+05	9.58E+05	8.13E+05	9.17E+05	1.03E+06	9.05E+05	9.92E+05	9.04E+05	8.8E+05	8.57E+05	9.52E+05	1.06E+06	9.99E+05	9.18E+05	1.07E+06
URATE	3.17E+07	3.15E+07	1.75E+07	1.81E+07	2.68E+07	3.48E+07	2.38E+07	3.09E+07	2.8E+07	2.07E+07	3.23E+07	2.64E+07	2.21E+07	3.07E+07	3.46E+07	1.54E+07	3.25E+07	1.87E+07	1.78E+07	2.88E+07	3.13E+07	3.64E+07	2.62E+07	3.01E+07	2.69E+07	3.31E+07	3.64E+07	2.33E+07	2.9E+07	1.71E+07	1.5E+07	3.48E+07	2.92E+07	2.46E+07	2.06E+07	2.11E+07	1.97E+07	2.87E+07	2.48E+07	3.19E+07	1.83E+07	1.74E+07	2.79E+07	1.83E+07	1.58E+07
URIDINE	3.87E+05	2.78E+05	3.72E+05	5.74E+05	3.42E+05	3.8E+05	1.75E+05	2.46E+05	2.5E+05	4.69E+05	7.81E+05	3.02E+05	2.96E+05	4.92E+05	4.23E+05	7.25E+05	1.96E+05	3.12E+05	2.42E+05	2.38E+05	5.27E+05	3.28E+05	8.2E+05	2.94E+05	7.04E+05	2.37E+05	5.9E+05	4.27E+05	8.23E+05	2.47E+05	7.72E+05	1.42E+05	5.8E+05	1.41E+05	3.47E+05	6.39E+05	7E+05	2.14E+05	1.16E+05	3.62E+05	9.47E+05	1.91E+05	2.08E+05	3.52E+05	4.69E+05
Xanthan	1.08E+06	1.09E+06	1.05E+06	1.05E+06	1.13E+06	1.1E+06	1.03E+06	1.12E+06	1.09E+06	1.06E+06	1.08E+06	1.08E+06	1.1E+06	1.04E+06	1.06E+06	9.89E+05	1.12E+06	1.1E+06	1.08E+06	1.07E+06	1.01E+06	1.07E+06	1.16E+06	1.04E+06	1.08E+06	1.06E+06	1.04E+06	1.05E+06	1.04E+06	1.02E+06	1.04E+06	1.04E+06	1.08E+06	1.05E+06	1.1E+06	1.03E+06	1.01E+06	1.09E+06	1.06E+06	1.02E+06	1.09E+06	1.05E+06	1.1E+06	1.08E+06	1.09E+06
Xanthine	1.16E+06	7.9E+05	1.06E+06	1.42E+06	8.93E+05	1.05E+06	7.08E+05	9.87E+05	8.33E+05	1.34E+06	9.68E+05	6.83E+05	9.1E+05	7.03E+05	8.63E+05	9E+05	1.18E+06	1.23E+06	1.05E+06	1.03E+06	1.22E+06	1.31E+06	9.06E+05	8.68E+05	8.75E+05	1.34E+06	1.31E+06	1.05E+06	7.49E+05	8.39E+05	1.03E+06	8.22E+05	1.03E+06	8.56E+05	1.19E+06	1.66E+06	1.23E+06	9.08E+05	6.62E+05	9.76E+05	1.13E+06	1.05E+06	8.46E+05	1.38E+06	1.01E+06
Xanthurenic acid	4.69E+05	5.08E+05	5.93E+05	5.71E+05	8.4E+05	7.33E+05	7.88E+05	9.12E+05	7.03E+05	4.88E+05	4.87E+05	6.09E+05	6.99E+05	4.7E+05	6.59E+05	7.94E+05	5.51E+05	5.67E+05	6.87E+05	4.54E+05	9.61E+05	3.53E+05	6.17E+05	3.76E+05	8.58E+05	6.96E+05	5.59E+05	5.37E+05	6.36E+05	6.47E+05	5.18E+05	4.61E+05	8.04E+05	6.72E+05	5.85E+05	6.65E+05	8.56E+05	4.91E+05	4.26E+05	5.64E+05	6.97E+05	4.72E+05	8.11E+05	9.64E+05	5.36E+05
Zeatin	2.32E+06	2.52E+06	2.78E+06	3.42E+06	4.27E+06	3.54E+06	3.61E+06	4.17E+06	3.36E+06	3.53E+06	2.84E+06	4.45E+06	3.55E+06	3.46E+06	3.6E+06	3.39E+06	3.03E+06	3.37E+06	3.65E+06	2.42E+06	2.3E+06	9.59E+05	3.95E+06	2.31E+06	2.06E+06	3.55E+06	2.92E+06	2.27E+06	4.81E+06	3.33E+06	3E+06	2.87E+06	5.25E+06	2.54E+06	3.07E+06	4.03E+06	4.71E+06	2.14E+06	2.97E+06	3.39E+06	3.99E+06	2.53E+06	3.68E+06	4.7E+06	2.95E+06
Zingerone	5.54E+06	5.32E+06	6.06E+06	5.78E+06	5.68E+06	5.43E+06	5.83E+06	5.85E+06	5.85E+06	5.57E+06	5.26E+06	5.56E+06	5.78E+06	5.51E+06	6.01E+06	5.5E+06	5.61E+06	5.56E+06	5.89E+06	5.9E+06	5.55E+06	5.7E+06	5.95E+06	5.62E+06	5.53E+06	5.91E+06	5.52E+06	5.94E+06	5.93E+06	5.59E+06	5.99E+06	5.76E+06	5.24E+06	5.77E+06	5.76E+06	6.08E+06	5.73E+06	5.52E+06	5.62E+06	5.21E+06	5.89E+06	5.6E+06	5.88E+06	5.62E+06	5.91E+06
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Retention Index	PubChem CID	KEGG ID	mass spectrum
(-)-Menthyl acetate	12.59	27867	C09870	199.1695
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	14.20	NOT Found in Database	C04875	294.2063
(9Z)-Octadecenoic acid	14.47	445639	C00712	283.2631
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate	7.65	5459971	C04546	191.0930
(R)-Mevalonate	0.72	5288798	C00418	149.0821
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate	0.68	24771808	C00450	128.0710
1,2,3-Trihydroxybenzene	0.79	1057	C01108	127.0393
1,2,6-Hexanetriol_1	6.83	7823	C20334	135.1018
1,2,6-Hexanetriol_2	0.95	7823	C20334	135.1005
1,4-Dithiane	0.69	10452	C01871	121.0151
11-Aminoundecanoic acid	6.07	17083	C19325	202.1801
16-Feruloyloxypalmitate	13.81	44237331	C18217	449.2878
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine	16.54	59834030	C13877	718.5360
1H-Imidazole-4-methanol_1	14.23	1745	C05562	99.0559
1H-Imidazole-4-methanol_2	14.73	1745	C05562	99.0559
1-Octanal	12.37	454	C01545	129.1277
2-(6'-Methylthio)hexylmalic acid	1.13	44237240	C17226	265.1119
2,2-Dichloro-1,1-ethanediol_1	5.14	85275	C14860	130.9664
2,2-Dichloro-1,1-ethanediol_2	0.82	85275	C14860	130.9655
2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate	16.38	14556935	C04638	717.5253
2,3-Dimethylmaleate	0.76	3032309	C00922	145.0497
2,4-Diamino-6-nitrotoluene	0.67	96177	C16396	168.0769
2,4-Diaminotoluene	17.12	7261	C14401	123.0921
2,5-Dichloro-4-oxohex-2-enedioate_1	0.68	5282172	C12835	226.9516
2,5-Dichloro-4-oxohex-2-enedioate_2	17.50	5282172	C12835	226.9516
2,5-Dioxopentanoate	1.58	21872870	C00433	131.0341
2,5-Furandicarboxylate	1.06	76720	C20450	157.0126
2-Aceto-2-hydroxybutanoate_1	7.65	21	C00659	147.0662
2-Aceto-2-hydroxybutanoate_2	0.64	21	C00659	147.0662
2-Aminophenol	3.22	5801	C01987	110.0605
2-Ethylhexyl phthalate	14.73	NOT Found in Database	C03343	279.1593
2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate	7.16	54675833	C01273	219.0652
2-Hydroxycyclohexan-1-one	6.70	10785	C01147	115.0757
2-Hydroxyfelbamate	1.14	10400039	C16582	255.0974
2-Methoxyestrone 3-sulfate	7.17	441485	C08358	381.1347
2-Methylpropanamine	0.03	6558	C02787	74.0972
2-Naphthylamine	7.95	7057	C02227	144.0799
2-Oxosuberate	7.65	146903	C16589	189.0741
2-Thiophenesulfonamide	0.14	72881	C14764	163.9838
3-(2-Hydroxyphenyl)propanoate	13.40	6930705	C01198	167.0703
3,4-Methylenedioxymethamphetamine	6.64	1615	C07577	194.1177
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate	13.15	15944652	C20199	239.1275
3-Butylidene-7-hydroxyphthalide	14.73	5281559	C09921	205.0859
3-Chloro-D-alanine	0.60	439771	C02634	124.0153
3-Hydroxyhexobarbital	6.87	439898	C03068	253.1183
3-HYDROXYKYNURENINE_1	3.24	89		225.0871
3-HYDROXYKYNURENINE_2	3.24	89		223.0716
3-Methyladenine	1.14	1673	C00913	150.0774
3-Phosphonooxypyruvate	0.15	5460375	C03232	184.9857
4-(beta-Acetylaminoethyl)imidazole	1.15	69602	C05135	154.0976
4,8-Dihydroxyquinoline	7.35	440737	C05637	162.0550
4-Aminobiphenyl	0.69	7102	C10998	170.0966
4-AMINOBUTANOATE	0.79	119		104.0711
4-Fluorocyclohexadiene-cis,cis-1,2-diol	6.26	11829464	C16483	131.0493
4-Guanidinobutanal	0.77	559	C02647	130.0977
4-GUANIDINOBUTANOATE	1.67	500		146.0926
4-Hydroxy-2-butynal	0.79	439778	C02648	85.0291
4-IMIDAZOLEACETIC ACID	0.98	96215		127.0504
4-Phenethylphenol	7.89	80630	C14340	199.1099
4-Vinylcyclohexene	8.45	7499	C19310	109.1018
5,6-Dihydrothymine	0.87	93556	C00906	129.0663
8-Deoxylactucin	11.06	442196	C09392	261.1097
9,10-Phenanthroquinone	0.70	6763	C03243	209.0613
9,12,13-TriHOME	11.09	9858729	C14833	331.2480
Acadesine	3.17	17513	C04663	259.1035
Acetyl phosphate	0.15	186	C00227	140.9960
Adenine	1.15	190	C00147	136.0620
alpha-Sinensal	14.33	5281534	C09729	219.1742
Aminoacetone_1	17.07	215	C01888	74.0608
Aminoacetone_2	12.47	215	C01888	74.0608
Amoxicillin	0.79	33613	C06827	366.1090
AMP	1.15	6083	C00020	348.0706
Anthocyanin	0.55	145858	C15549	208.0871
Arg-OEt	1.02	439495	C01404	203.1503
Auricularine	15.99	441990	C09043	495.3478
Bakankoside	7.15	442506	C09914	358.1498
Bakkenolide A	14.21	442173	C09350	235.1694
Bensulfuron-methyl	13.92	54960	C10937	411.0939
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate	7.65	440386	C04561	209.1190
BETA-ALANINE	0.71	239		90.0557
Betamethasone	7.69	9782	C06848	393.2094
Bis(chloromethyl) ether_1	4.61	10967	C19158	114.9717
Bis(chloromethyl) ether_2	4.92	10967	C19158	114.9717
Bisphenol B	13.92	66166	C14225	243.1358
Borreverine	17.20	442020	C09082	481.3328
Botrydial	12.19	185781	C09622	311.1849
Brunfelsamidine	17.49	5281683	C10133	110.0717
Buddledin A_1	14.40	5281514	C09623	277.1800
Buddledin A_2	12.13	5281514	C09623	277.1798
Bufadienolide	10.09	NOT Found in Database	C16921	355.2635
Butoctamide hydrogen succinate	8.09	2486	C12946	316.2122
Cadaverine	0.62	273	C01672	103.1236
Calcium L-aspartate	7.05	30465	C13058	171.9929
Calycanthidine	13.94	442031	C09097	361.2351
Cholesterol sulfate	16.75	65076	C18043	467.3166
CITRATE	1.95	311		215.0162
Convallasaponin A	13.63	441883	C08893	581.3661
Creatine	7.65	586	C00300	132.0778
CREATINE	0.91	586		132.0769
CREATININE	0.93	588		114.0667
Cyclohexylsulfamate	7.89	3372845	C02824	180.0702
Debrisoquin_1	0.69	2966	C13650	176.1189
Debrisoquin_2	0.69	2966	C13650	176.1166
Deethylatrazine	7.65	22563	C06559	188.0706
Diallyl disulfide	9.02	16590	C08369	147.0310
Dichloromethane_1	5.08	6344	C02271	84.9604
Dichloromethane_2	1.03	6344	C02271	84.9604
DIMBOA	0.82	2358	C04720	212.0534
Dipropyl disulfide	1.21	12377	C08373	151.0619
Dodecanamide	12.52	14256	C13831	200.2008
Dodemorph	16.11	61899	C18786	282.2791
dUTP	7.28	65070	C00460	468.9785
epsilon-Caprolactam	7.07	7768	C06593	114.0918
ETHANOLAMINE PHOSPHATE	0.72	1015		142.0260
Ethephon	17.13	27982	C18399	144.9824
Ethiofencarb	3.24	34766	C18649	226.0902
Ethylenethiourea_1	10.15	2723650	C14398	103.0321
Ethylenethiourea_2	10.79	2723650	C14398	103.0321
Fluoroacetate_1	0.72	5236	C06108	79.0186
Fluoroacetate_2	3.92	5236	C06108	79.0186
Fluoroacetate_3	5.70	5236	C06108	79.0186
Fomepizole_1	17.12	3406	C07837	83.0611
Fomepizole_2	16.51	3406	C07837	83.0611
Fosetyl_1	8.16	6328134	C18401	111.0207
Fosetyl_2	17.50	6328134	C18401	111.0207
gamma-Coniceine	6.71	442632	C10138	126.1280
GLYCEROL	0.78	753		115.0371
Glycerol	0.78	753	C00116	93.0553
GLYCINE	0.72	750		76.0401
Guanosine	6.26	6802	C00387	284.0991
Gyromitrin	17.51	9548611	C08305	101.0717
Harmaline	8.05	5280951	C06536	215.1180
Hexahomomethionine	7.05	46878444	C17233	234.1526
HISTAMINE	0.62	774		112.0874
Homoarginine	0.79	9085	C01924	189.1350
Hyoscyamine methylbromide	7.08	17882	C13109	384.1146
Hypoxanthine	6.12	790	C00262	137.0460
Indole	1.07	798	C00463	118.0654
Indoleamine	7.55	230280	C01819	133.0764
Inosine	6.13	6021	C00294	269.0878
Isoprothiolane	6.13	39681	C11111	291.0696
Jamaicamide B	7.21	49787032	C18213	489.2500
L-ARGININE	0.69	6322		175.1194
L-Arginine phosphate	0.69	92150	C05945	255.0851
L-ASPARAGINE	0.70	6267		133.0606
L-ASPARTATE	0.70	5960		134.0450
L-CARNITINE	0.96	10917		162.1126
L-Cysteate	1.14	7140381	C00506	170.0125
LEUCINE	2.53	857		132.1022
Leucocyanidin	4.05	71629	C05906	307.0831
Levamisole	9.02	26879	C07070	205.0798
L-GLUTAMINE	0.73	5961		147.0766
L-HISTIDINE	0.68	6274		156.0770
Lichenin	0.80	439241	C00478	163.0592
L-Kynurenine	6.52	161166	C00328	209.0923
L-LYSINE	0.63	5962		147.1130
L-Methionine	1.19	6137	C00073	150.0584
L-Methionine S-oxide	0.78	158980	C02989	166.0534
Loperamide	7.88	3955	C07080	477.2327
Lovastatin	13.87	53232	C07074	405.2609
L-Palmitoylcarnitine	16.78	11953816	C02990	400.3420
L-Phenylalanine	6.26	6140	C00079	166.0863
L-Pipecolate	1.11	439227	C00408	130.0865
L-PROLINE	0.85	145742		116.0710
L-THREONINE	0.73	6288		120.0658
L-Tryptophan	7.65	6305	C00078	205.0974
L-TYROSINE	3.42	6057		182.0814
L-Tyrosine methyl ester	7.16	70652	C03404	196.0970
L-Valine_1	1.07	6287	C00183	118.0866
L-Valine_2	0.03	6287	C00183	118.0867
Magnoshinin	12.78	135783	C10658	415.2119
MANNOSE	0.74	18950		203.0528
Methamphetamine	7.35	10836	C07164	150.1279
Methyl methanesulfonate	0.58	4156	C19181	111.0100
Metominostrobin	10.09	5483872	C18559	285.1226
Monodehydroascorbate	1.14	NOT Found in Database	C01041	176.0299
N-(Acetyloxy)benzenamine	3.24	153367	C02709	152.0707
N,N'-Diacetylhydrazine	0.84	72884	C16622	117.0664
N6-(delta2-Isopentenyl)-adenine	4.80	92180	C04083	204.1243
N-ACETYL-DL-GLUTAMIC ACID	2.22	185		190.0711
N-Acetyl-L-histidine	0.78	75619	C02997	198.0891
N-Acetyl-L-leucine	8.51	70912	C02710	174.1127
N-Acetyl-L-phenylalanine	12.78	74839	C03519	208.0988
N-Acetylornithine	0.98	439232	C00437	175.1079
N-ACETYLPUTRESCINE	1.11	122356		131.1181
N-Amidino-L-glutamate	7.65	135313	C03140	190.0836
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE	0.71	440120		189.1598
N-Ethylglycocyamine	7.65	439826	C02852	208.1161
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	6.31	597195	C19872	167.0928
Nicotinamide	1.12	936	C00153	123.0555
Nicotinate	1.15	937	C00253	124.0396
N-METHYL-D-ASPARTIC ACID	0.76	22880		148.0606
N-Methylethanolamine phosphate_1	0.78	25201132	C01210	156.0423
N-Methylethanolamine phosphate_2	3.41	25201132	C01210	156.0423
Octylamine	7.82	8143	C01740	130.1593
Orthophosphate	0.71	NOT Found in Database	C00009	98.9849
Oxethazaine	16.75	4621	C12552	468.3197
Paspalinine	16.39	9867531	C20554	434.2304
Phendimetrazine	7.36	12460	C07904	192.1383
Phenmetrazine	7.05	4762	C07432	178.1228
Phenylacetaldehyde	0.72	998	C00601	121.0652
Phenylethyl alcohol	6.48	6054	C05853	123.0808
Phenylhydrazine	17.11	7516	C02304	109.0766
PHOSPHOCHOLINE	0.72	1014		184.0734
Phytuberin	12.78	442387	C09709	295.1906
Piperidine	16.77	8082	C01746	86.0971
Pirbuterol	6.31	4845	C07807	241.1548
Precocene II	14.20	12565	C09018	221.1175
Propanoate	0.77	104745	C00163	75.0449
Prostaglandin H2	11.68	445049	C00427	353.2300
Protoanemonin	0.77	66948	C07090	97.0291
Psicofuranine	6.74	65086	C05342	298.1144
Pulcherriminic acid	0.83	3083664	C20515	257.1471
PUTRESCINE	0.56	1045		89.1080
Riboflavin	7.96	493570	C00255	377.1451
S-(2-Chloroethyl)glutathione	0.80	3034823	C20304	370.0836
Schizonepetoside E	7.53	46173963	C17638	349.1836
sn-Glycero-3-phospho-1-inositol	0.70	45480545	C01225	335.0739
sn-Glycero-3-phosphoethanolamine	0.70	444183	C01233	216.0631
SN-GLYCEROL 3-PHOSPHATE	0.71	439162		173.0212
SPERMIDINE	0.55	1102		146.1652
Succinic anhydride	2.29	7922	C19524	101.0239
Succinimide	1.02	11439	C07273	100.0399
SUCROSE	0.79	5988		365.1052
Sulcatone	8.62	9862	C07287	127.1120
TAURINE	0.68	1123		126.0226
Terpendole G	12.73	10411534	C20586	452.2771
Tolmetin sodium	0.78	23665411	C02328	280.0916
TRANS-4-HYDROXYPROLINE	0.70	5810		130.0501
trans-Cinnamate	0.76	444539	C00423	149.0602
Trientine	0.64	5565	C07166	147.1613
Trimethylamine N-oxide	0.92	1145	C01104	76.0765
Tromethamine	0.69	6503	C07182	122.0815
Trp-P-1	8.69	5284474	C19306	212.1182
URATE	1.87	1175		169.0358
URIDINE	2.86	6029		267.0587
Xanthan	13.20	7107	C01464	183.0806
Xanthine	2.50	1188	C00385	153.0409
Xanthurenic acid	7.47	5699	C02470	206.0450
Zeatin	6.64	449093	C00371	220.1181
Zingerone	13.40	31211	C17497	195.1018
METABOLITES_END
#END