#METABOLOMICS WORKBENCH amitch_20151221_9711101_mwtab.txt DATATRACK_ID:469 efahy_20151227_162517 STUDY_ID:ST000294 ANALYSIS_ID:AN000471 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                      	NEGATIVE
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	B3P504	B3P105	B3P204	B3P506	B1P506	B2P304	B3P303	B2P103	B3P202	B2P502	B1P305	B2P504	B2P202	B1P306	B3P402	B1P105	B3P106	B3P403	B2P402	B1P403	B2P102	BEP203	B1P505	B1P402	B3P503	B2P201	B1P102	B2P101	B1P202	B1P301	B1P101	B2P301	B1P504	B2P503	B3P404	B3P304	B1P203	B2P403	B3P103	B2P302	B1P205	B2P401	B3P302	B3P205	B1P406
Factors	Phase:EN	Phase:ED	Phase:LD	Phase:EN	Phase:EN	Phase:AD	Phase:AD	Phase:ED	Phase:LD	Phase:EN	Phase:AD	Phase:EN	Phase:LD	Phase:AD	Phase:IBA	Phase:ED	Phase:ED	Phase:IBA	Phase:IBA	Phase:IBA	Phase:ED	Phase:LD	Phase:EN	Phase:IBA	Phase:EN	Phase:LD	Phase:ED	Phase:ED	Phase:LD	Phase:AD	Phase:ED	Phase:AD	Phase:EN	Phase:EN	Phase:IBA	Phase:AD	Phase:LD	Phase:IBA	Phase:ED	Phase:AD	Phase:LD	Phase:IBA	Phase:AD	Phase:LD	Phase:IBA
(+/-)-6-Acetonyldihydrosanguinarine	1.72E+07	1.98E+07	2.08E+07	2.18E+07	2.17E+07	2.22E+07	1.96E+07	1.77E+07	1.94E+07	2.26E+07	1.86E+07	2.32E+07	2.43E+07	2.56E+07	1.72E+07	2.03E+07	2.4E+07	2.19E+07	2.13E+07	2.11E+07	2.04E+07	2.08E+07	1.85E+07	1.86E+07	1.97E+07	1.63E+07	1.17E+07	2.18E+07	1.78E+07	1.77E+07	1.81E+07	1.85E+07	2.27E+07	1.96E+07	2.06E+07	2.13E+07	1.7E+07	1.83E+07	1.97E+07	1.74E+07	2.5E+07	1.78E+07	2.18E+07	2.41E+07	2.03E+07
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid	4.84E+04	1.84E+05	1.23E+05	3.41E+05	2.11E+04	2.32E+04	1.86E+05	2.36E+04	2.51E+05	2.47E+04	2.05E+04	2.13E+04	2.25E+04	2.18E+04	2.36E+05	2.2E+04	1.01E+05	2.18E+05	2.23E+04	2.13E+04	2.45E+04	2.25E+04	2.19E+04	2.44E+04	3.63E+05	2.57E+04	2.34E+04	2.01E+04	1.97E+04	2.29E+04	2.31E+04	2.28E+04	2.2E+04	2.49E+04	1.12E+05	1.51E+05	2.39E+04	2.51E+04	2.06E+05	2.47E+04	2.47E+04	2.01E+04	4.5E+05	5.89E+05	2.1E+04
(9R,10R)-Dihydroxyoctadecanoic acid	9.99E+05	9.29E+05	1.07E+06	1.06E+06	1.11E+06	1.12E+06	1.08E+06	1.12E+06	1.14E+06	1.09E+06	1.19E+06	1.11E+06	1.07E+06	1.16E+06	1.16E+06	1.11E+06	1.16E+06	1.12E+06	1.07E+06	1.1E+06	1.06E+06	1.04E+06	1.07E+06	1.06E+06	1.11E+06	1.1E+06	1.05E+06	1.08E+06	1.09E+06	1.09E+06	1.03E+06	1.09E+06	1.07E+06	1.09E+06	1.12E+06	1.14E+06	1.06E+06	1.06E+06	1.07E+06	1.03E+06	1.07E+06	1.07E+06	1.13E+06	1.12E+06	1.11E+06
(R)-2-Hydroxystearate	2.71E+05	7.16E+05	5.9E+05	2.88E+06	1.61E+05	2.16E+05	5.82E+05	1.72E+05	1.02E+06	2.33E+05	1.65E+05	2.07E+05	2.3E+05	1.59E+05	8.25E+05	1.65E+05	4.95E+05	7.45E+05	2.48E+05	1.51E+05	1.84E+05	1.85E+05	1.54E+05	1.78E+05	1.36E+06	1.89E+05	1.67E+05	2.28E+05	1.74E+05	1.58E+05	1.61E+05	1.93E+05	1.61E+05	2.12E+05	5.07E+05	5.3E+05	1.4E+05	1.9E+05	8.21E+05	1.83E+05	1.56E+05	1.85E+05	1.59E+06	2.26E+06	1.53E+05
(S)-Malate	2.32E+07	4.27E+07	2.55E+07	5.97E+07	4E+07	3E+07	3.01E+07	2.94E+07	3.39E+07	4.48E+07	2.56E+07	2.6E+07	5.37E+07	5.16E+07	3.38E+07	4.55E+07	4.75E+07	2.3E+07	3.8E+07	2.64E+07	3.82E+07	4.11E+07	2.99E+07	2.47E+07	4.59E+07	2.79E+07	2.41E+07	3.96E+07	3.79E+07	3E+07	3.63E+07	2.47E+07	5.41E+07	3.37E+07	2.97E+07	3.36E+07	2.16E+07	1.65E+07	4.54E+07	2.76E+07	5.88E+07	1.58E+07	4.59E+07	3.16E+07	2.34E+07
1,2-Bis(4-nitrophenyl)ethane	1.84E+06	2.63E+06	2.29E+06	3.09E+06	2.78E+06	2.81E+06	2.4E+06	1.79E+06	2.48E+06	2.9E+06	2.36E+06	2.82E+06	2.87E+06	3.96E+06	2.9E+06	3.04E+06	3.23E+06	3.1E+06	2.67E+06	3.05E+06	2.4E+06	2.69E+06	2.16E+06	2.72E+06	2.74E+06	1.8E+06	1.24E+06	3.18E+06	2.71E+06	2.22E+06	2.1E+06	2.16E+06	3.91E+06	2.49E+06	2.89E+06	2.82E+06	2.29E+06	2.04E+06	3.05E+06	2.12E+06	3.81E+06	2.05E+06	2.86E+06	3.4E+06	3.18E+06
16-Dehydroprogesterone	4.6E+05	4.01E+05	5.07E+05	4.67E+05	4.95E+05	5.13E+05	5.12E+05	5.07E+05	5.15E+05	5.53E+05	5.75E+05	6.16E+05	5.83E+05	6.04E+05	5.87E+05	5.99E+05	5.53E+05	5.46E+05	5.29E+05	5.51E+05	5.9E+05	5.42E+05	5.71E+05	5.66E+05	5.56E+05	5.7E+05	5.56E+05	5.61E+05	6.06E+05	5.92E+05	5.98E+05	5.66E+05	6.41E+05	5.69E+05	5.43E+05	5.75E+05	5.31E+05	5.69E+05	5.4E+05	5.66E+05	5.87E+05	5.88E+05	5.34E+05	5.55E+05	5.72E+05
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine	1E+04	1.04E+05	1.42E+05	3.81E+03	2.89E+05	1.57E+06	1.89E+06	1.36E+06	1.37E+06	8.83E+05	1.46E+06	1.22E+06	1.15E+06	1.26E+05	1.76E+05	1.06E+06	9.73E+05	7.3E+05	1.9E+06	8.93E+05	2.14E+06	9.28E+05	9.09E+04	6.6E+05	8.97E+04	6.33E+05	6.76E+05	6.8E+05	5.69E+05	1.91E+06	6.6E+05	4.58E+04	7.9E+05	9.53E+05	7.91E+04	2.27E+05	5.08E+05	5.6E+05	2E+06	6.84E+05	4.32E+05	5.72E+05	4.4E+04	1.94E+06	4.06E+04
1-Hydroxy-2-naphthoate	1.16E+06	1.73E+06	2.37E+06	2.02E+06	1.8E+06	2.64E+06	1.86E+06	1.19E+06	2.34E+06	1.96E+06	2.11E+06	2E+06	2.57E+06	2.93E+06	1.81E+06	2.08E+06	1.8E+06	1.92E+06	1.96E+06	2.14E+06	2.03E+06	2.15E+06	1.17E+06	2.02E+06	1.48E+06	1.55E+06	6.46E+05	1.86E+06	2.14E+06	1.96E+06	1.11E+06	2.11E+06	1.7E+06	1.95E+06	1.88E+06	2E+06	1.8E+06	1.77E+06	1.55E+06	1.53E+06	2.63E+06	1.83E+06	2.05E+06	2.45E+06	1.99E+06
2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate	0	1.58E+03	5.48E+05	8.28E+03	1.17E+06	7.84E+05	7.38E+05	3.72E+05	5.03E+05	9.78E+05	4.69E+05	3.15E+03	2.43E+03	4.99E+05	6.91E+05	3.44E+05	1.23E+06	5.29E+05	4.17E+05	8.42E+05	3E+05	2.44E+03	3.5E+05	5.98E+03	3.45E+05	3.46E+05	1.1E+06	3.13E+05	2.99E+05	7.05E+05	2.71E+03	1.64E+05	4.57E+05	4.38E+03	3.08E+05	2.69E+05	1.86E+05	1.14E+06	1.34E+05	1.02E+06	9.82E+05	7.29E+03	1.7E+05	2.09E+03	1.51E+05
2,4-Dichlorotoluene	1.11E+07	1.18E+07	1.2E+07	1.54E+07	1.17E+07	8.35E+06	1.11E+07	7.53E+06	1.31E+07	1.13E+07	7.62E+06	1.07E+07	9.51E+06	1.15E+07	1.26E+07	8.79E+06	1.34E+07	1.4E+07	8.74E+06	1.08E+07	9.19E+06	7.34E+06	9.21E+06	9.48E+06	1.26E+07	5.4E+06	6.14E+06	1.16E+07	7E+06	7.46E+06	6.99E+06	7.85E+06	9.99E+06	9.72E+06	1.32E+07	1.27E+07	6.15E+06	8.26E+06	1.29E+07	6.37E+06	9.66E+06	8.15E+06	1.32E+07	1.33E+07	1.13E+07
2,4-Dinitroaniline	6.22E+05	6.47E+05	3.17E+05	1.05E+06	1.34E+06	5.82E+05	3.69E+05	6.56E+05	3.64E+05	8.79E+05	6.26E+05	1.2E+06	3.95E+05	7.73E+05	6.85E+05	2.92E+05	5.69E+05	8.16E+05	6.21E+05	9.16E+05	3.43E+05	2.34E+05	8.71E+05	6E+05	6.81E+05	2.63E+05	1.21E+05	5.47E+05	1.8E+05	2.59E+05	2.5E+05	3.15E+05	9.95E+05	7.68E+05	8.56E+05	3.3E+05	2.82E+05	5.7E+05	3.84E+05	2.99E+05	5.14E+05	6.84E+05	3.97E+05	5.46E+05	2.93E+05
20-Hydroxyecdysone	7.42E+05	6.48E+05	5.17E+05	4.44E+05	3.03E+05	2.75E+05	5.56E+05	3.96E+05	4.97E+05	5.17E+05	3.32E+05	3.29E+05	3.06E+05	3.2E+05	7.81E+05	2.98E+05	6.14E+05	6.03E+05	2.71E+05	2.01E+05	2.36E+05	2.25E+05	2.43E+05	2.5E+05	6.71E+05	2.89E+05	4.45E+05	5.4E+05	1.95E+05	2.73E+05	1.9E+05	2.12E+05	1.13E+05	2.96E+05	7.16E+05	7.8E+05	6.42E+04	2.18E+05	6.55E+05	1.69E+05	1.66E+05	1.33E+05	5.94E+05	7.2E+05	9.26E+04
2-Aceto-2-hydroxybutanoate	2.34E+05	3.62E+05	2.72E+05	3.43E+05	4.84E+05	4.36E+05	2.3E+05	2.58E+05	3.83E+05	3.6E+05	3.96E+05	3.58E+05	3.12E+05	6.19E+05	2.72E+05	3.92E+05	3.57E+05	3.53E+05	3.17E+05	4.49E+05	3.18E+05	3.08E+05	3.16E+05	3.37E+05	2.78E+05	2.09E+05	1.47E+05	3.7E+05	3.13E+05	3.12E+05	3.45E+05	2.43E+05	5.37E+05	2.87E+05	3.46E+05	2.84E+05	3.26E+05	2.56E+05	2.86E+05	1.93E+05	5.93E+05	2.38E+05	2.74E+05	4.53E+05	4.55E+05
2-Amino-5-phosphopentanoic acid	2.39E+06	4.27E+06	2.28E+06	3.64E+06	5.26E+06	3.26E+06	2.63E+06	3.9E+06	3.11E+06	3.75E+06	3.73E+06	4.65E+06	3.25E+06	4.47E+06	3.88E+06	4.35E+06	4.2E+06	3.93E+06	2.55E+06	4.15E+06	3.63E+06	2.71E+06	3.69E+06	3.33E+06	3.3E+06	2.32E+06	1.22E+06	3.35E+06	2.44E+06	2.79E+06	3E+06	2.45E+06	6.98E+06	4.35E+06	3.53E+06	3.01E+06	2.95E+06	2.83E+06	3.13E+06	2.07E+06	4.15E+06	3.31E+06	3.34E+06	4.3E+06	3.77E+06
2-Aminobenzenesulfonate	1.39E+06	2.33E+06	1.79E+06	2.01E+06	1.87E+06	2.05E+06	1.4E+06	1.57E+06	1.61E+06	2.01E+06	1.2E+06	1.54E+06	2.06E+06	1.8E+06	1.33E+06	1.64E+06	2.18E+06	1.65E+06	1.34E+06	1.39E+06	1.63E+06	1.45E+06	1.18E+06	1.36E+06	1.67E+06	1.18E+06	9.54E+05	2.01E+06	1.2E+06	9.89E+05	1.71E+06	1.29E+06	1.84E+06	1.22E+06	1.49E+06	1.45E+06	1.23E+06	9.41E+05	1.81E+06	9.43E+05	2.33E+06	1.26E+06	1.68E+06	1.73E+06	1.3E+06
2-Ethylhexyl phthalate	6.22E+05	6.2E+05	6.15E+05	6.16E+05	6.35E+05	6.7E+05	6.37E+05	6.36E+05	6.44E+05	6.27E+05	7.04E+05	6.58E+05	6.99E+05	8.85E+05	6.56E+05	6.39E+05	6.73E+05	6.54E+05	6.76E+05	6.67E+05	6.65E+05	6.65E+05	6.84E+05	6.8E+05	7.09E+05	6.79E+05	6.24E+05	6.52E+05	6.71E+05	6.35E+05	6.57E+05	6.4E+05	6.71E+05	8.11E+05	6.47E+05	6.41E+05	6.69E+05	6.44E+05	6.47E+05	6.61E+05	7.01E+05	6.14E+05	6.44E+05	6.62E+05	7.14E+05
2-Oxoglutarate	1.16E+06	1.15E+06	2.07E+05	2.22E+06	1.39E+06	1.07E+06	7.3E+05	1.16E+06	2.37E+05	1.6E+06	1.17E+06	1.15E+06	5.37E+05	1.23E+06	1.53E+06	5.44E+05	1.28E+06	1.6E+06	6.35E+05	1.79E+06	1.35E+06	3.56E+05	1E+06	1.07E+06	1.28E+06	1.97E+05	3.98E+05	1.52E+06	3.04E+05	5.9E+05	4.71E+05	7.2E+05	2.13E+06	1.52E+06	1.43E+06	1.09E+06	2.01E+05	7.94E+05	1.18E+06	5.56E+05	3.96E+05	8.7E+05	7.95E+05	2.95E+05	1.29E+06
2-Phosphinomethylmalate	1.21E+06	1.88E+06	1.8E+06	1.88E+06	2.73E+06	2.03E+06	1.3E+06	1.89E+06	1.54E+06	1.74E+06	1.65E+06	2.51E+06	2.41E+06	3.59E+06	1.1E+06	2.64E+06	1.91E+06	1.29E+06	1.45E+06	2.03E+06	2.37E+06	1.85E+06	1.09E+06	1.43E+06	1.19E+06	1.35E+06	4.42E+05	2.52E+06	1.76E+06	1.03E+06	1E+06	1.29E+06	3.18E+06	2.2E+06	1.23E+06	1.09E+06	1.52E+06	1.14E+06	1.34E+06	8.83E+05	3.15E+06	1.89E+06	1.29E+06	2.17E+06	2.11E+06
3-(2-Hydroxyphenyl)propanoate	2.82E+04	2.23E+05	2.26E+05	4.23E+05	4.74E+04	2.1E+05	1.68E+05	4.58E+04	7.56E+05	6.69E+04	1.42E+05	8.51E+04	2.15E+05	2.89E+05	1.59E+05	1.15E+05	1.73E+05	2.11E+05	1.58E+05	9.32E+04	9.77E+04	1.87E+05	3.08E+04	1.07E+05	3.67E+05	1.66E+05	5.45E+04	6.77E+04	2.5E+05	1.34E+05	8.19E+04	7.44E+04	4.89E+04	6.44E+04	9.87E+04	1.18E+05	1.41E+05	7.39E+04	1.46E+05	1.11E+05	2.85E+05	4.91E+04	3.53E+05	8.91E+05	1.04E+05
3-(4-Hydroxyphenyl)lactate	2.64E+05	4.08E+05	9.23E+05	6.33E+05	6.5E+05	1.29E+06	4.99E+05	3.1E+05	1.13E+06	6.4E+05	7.79E+05	7.99E+05	9.94E+05	1.82E+06	4.19E+05	6.15E+05	4.71E+05	5.7E+05	9.43E+05	8.48E+05	6.98E+05	7.83E+05	3.19E+05	8.05E+05	3.29E+05	5.42E+05	1.5E+05	4.23E+05	9.42E+05	7.7E+05	2.29E+05	5.95E+05	3.55E+05	4.55E+05	5.8E+05	7.12E+05	6.93E+05	4.59E+05	3.18E+05	6.07E+05	1.35E+06	5.35E+05	8.68E+05	1.07E+06	8.56E+05
3,4-Dihydroxy-L-phenylalanine	3.08E+03	4.95E+03	2.24E+03	3.42E+06	1.72E+03	1.68E+03	0	1.04E+04	0	0	1.9E+03	3.24E+03	1.9E+04	2E+03	1.66E+03	0	0	2.2E+03	0	0	1.45E+04	0	0	1.96E+03	0	9.56E+03	0	0	0	0	2.78E+03	2.82E+03	1.87E+06	1.63E+03	1.82E+03	1.62E+04	1.46E+04	8.54E+03	1.16E+04	1.72E+03	2.94E+03	1.07E+04	0	2.01E+06	2.1E+03
3,5-Dinitroguaiacol	1.03E+07	1.1E+07	1.05E+07	1.02E+07	1E+07	1.08E+07	1.06E+07	1.11E+07	1.08E+07	1.14E+07	1.11E+07	1.17E+07	1.12E+07	1.1E+07	1.09E+07	1.11E+07	1.13E+07	1.12E+07	1.11E+07	1.08E+07	1.05E+07	1.07E+07	1.05E+07	1.04E+07	1.1E+07	9.65E+06	9.08E+06	1.01E+07	9.21E+06	9.47E+06	8.86E+06	8.91E+06	9.74E+06	9.45E+06	9.66E+06	9.28E+06	8.51E+06	8.97E+06	9.08E+06	8.83E+06	9.13E+06	8.72E+06	9.07E+06	9.4E+06	8.73E+06
3,7,4'-Tri-O-methylquercetin	3.78E+05	3.37E+05	3.98E+05	3.49E+05	3.81E+05	3.71E+05	4.02E+05	4.31E+05	4.12E+05	3.65E+05	4.17E+05	4.1E+05	4.24E+05	3.98E+05	4.39E+05	4.18E+05	4.23E+05	3.79E+05	4.14E+05	4.29E+05	4.48E+05	4.01E+05	4.76E+05	4.34E+05	4.21E+05	4.53E+05	5.35E+05	4.14E+05	4.3E+05	4.78E+05	4.36E+05	4.22E+05	3.91E+05	4.23E+05	4.29E+05	4.33E+05	4.25E+05	4.85E+05	4.01E+05	4.29E+05	3.8E+05	4.2E+05	3.9E+05	3.86E+05	3.79E+05
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate	4.38E+06	5.09E+06	4.48E+06	4.65E+06	4.65E+06	4.44E+06	4.23E+06	4.89E+06	4.54E+06	4.69E+06	4.35E+06	4.47E+06	4.57E+06	4.41E+06	4.31E+06	4.26E+06	4.23E+06	4.1E+06	4.12E+06	4.14E+06	3.93E+06	4.15E+06	3.81E+06	4.02E+06	3.82E+06	3.33E+06	3.04E+06	4.06E+06	3.51E+06	3.43E+06	3.16E+06	3.18E+06	3.75E+06	3.53E+06	3.47E+06	3.09E+06	2.69E+06	3.07E+06	3.05E+06	3.03E+06	3.53E+06	3.14E+06	3.21E+06	3.27E+06	3.14E+06
3-Hydroxyhexobarbital	7.88E+05	1.91E+06	4.88E+05	9.42E+05	3.18E+06	1.19E+06	9.92E+05	1.47E+06	1.5E+06	1.42E+06	1.55E+06	2.09E+06	8.95E+05	3.47E+06	2.54E+06	3.47E+06	1.07E+06	1.44E+06	1.66E+06	2.05E+06	2.46E+06	2.47E+06	2.08E+06	1.17E+06	6.93E+05	1.9E+06	4.44E+05	1.53E+06	1.5E+06	3.12E+06	5.93E+05	1.11E+06	5.29E+06	1.78E+06	1.15E+06	2.13E+06	1.19E+06	1.87E+06	4.71E+05	1.66E+06	2.61E+06	1.66E+06	1.12E+06	5.65E+06	3.19E+06
3-HYDROXYKYNURENINE	1.96E+06	3.2E+06	2.27E+06	3.96E+06	2.99E+06	2.47E+06	2.42E+06	1.63E+06	2.7E+06	2.97E+06	1.98E+06	2.79E+06	2.4E+06	3.79E+06	2.56E+06	2.37E+06	3.3E+06	2.97E+06	2.45E+06	2.9E+06	2.14E+06	2.49E+06	1.98E+06	2.46E+06	2.58E+06	1.37E+06	9.8E+05	2.73E+06	2.56E+06	1.95E+06	2.03E+06	1.99E+06	3.38E+06	2.41E+06	3.01E+06	2.99E+06	1.89E+06	2.01E+06	2.79E+06	1.83E+06	3.67E+06	1.93E+06	2.99E+06	3.48E+06	2.47E+06
3-Methyleneoxindole	2.51E+05	4.74E+05	3.85E+05	2.08E+05	1.69E+05	6.13E+05	1.99E+05	5.99E+05	6.37E+05	6.27E+05	2.84E+05	1.17E+06	6.36E+05	3.81E+05	2.29E+05	1.59E+05	3.79E+05	2.42E+05	9.72E+05	2.34E+05	7.37E+05	8.29E+05	2.09E+05	1.98E+05	3.79E+05	6.22E+05	1.94E+05	1.11E+06	3.29E+05	1.78E+05	2.13E+05	5.58E+05	1.94E+05	1.07E+06	3.81E+05	5.74E+05	1.88E+05	5.82E+05	2.78E+05	7.19E+05	2.27E+05	7.24E+05	3.93E+05	5.62E+05	1.91E+05
4,4'-Biphenyldithiol	1.2E+05	1.71E+05	1.17E+05	2.27E+05	3.8E+05	1.7E+05	1.2E+05	1.33E+05	1.35E+05	1.76E+05	2.35E+05	1.88E+05	1.82E+05	5.19E+05	1.67E+05	2.99E+05	1.74E+05	1.7E+05	1.59E+05	5.93E+05	1.87E+05	1.58E+05	2.12E+05	2.78E+05	1.63E+05	8.4E+04	6.29E+04	1.7E+05	1.82E+05	1.59E+05	1.47E+05	1.24E+05	3.35E+05	1.7E+05	1.47E+05	1.44E+05	2.34E+05	9.84E+04	1.73E+05	8.47E+04	3.9E+05	1.5E+05	1.47E+05	1.68E+05	3.4E+05
4,8-Dihydroxyquinoline_1	1.11E+06	1.51E+06	1.1E+06	1.1E+06	7.92E+05	8.47E+05	9.75E+05	5.15E+05	1.03E+06	9.69E+05	8.08E+05	8.42E+05	9.98E+05	7.86E+05	9.59E+05	6.74E+05	1.08E+06	1.06E+06	7.62E+05	6.94E+05	5.7E+05	8.86E+05	4.94E+05	5.7E+05	8.82E+05	6.15E+05	6.14E+05	7.23E+05	9.26E+05	1.78E+06	1.24E+06	6.43E+05	5.28E+05	6.62E+05	8.89E+05	7.44E+05	7.05E+05	5.24E+05	8.24E+05	4.47E+05	1.48E+06	5.04E+05	8.27E+05	9.66E+05	4.99E+05
4,8-Dihydroxyquinoline_2	1.64E+05	3.77E+05	2.07E+05	4.84E+05	2.98E+05	2.51E+05	2.01E+05	1.31E+05	2.52E+05	3.42E+05	2.23E+05	3.57E+05	3.24E+05	4.72E+05	3.02E+05	2.91E+05	3.79E+05	3.15E+05	3.03E+05	3.26E+05	2.72E+05	3.14E+05	1.84E+05	2.68E+05	2.75E+05	1.07E+05	5.36E+04	3.55E+05	3.09E+05	1.81E+05	2.21E+05	1.84E+05	5.55E+05	3.36E+05	3.22E+05	3.59E+05	1.75E+05	1.81E+05	3.46E+05	1.56E+05	5.1E+05	1.75E+05	3.7E+05	4.74E+05	3.04E+05
4-Chloroacetanilide_1	1.09E+06	1.13E+06	1.04E+06	1.17E+06	1.87E+06	1.8E+06	1.12E+06	2.02E+06	1.18E+06	2.06E+06	2.02E+06	1.72E+06	2.33E+06	1.9E+06	1.33E+06	2.18E+06	1.03E+06	1.21E+06	1.94E+06	1.55E+06	1.91E+06	2.22E+06	1.83E+06	2.05E+06	1.18E+06	1.88E+06	2.19E+06	1.76E+06	2.18E+06	2.08E+06	1.74E+06	2.03E+06	1.86E+06	2.01E+06	1.06E+06	1.23E+06	1.52E+06	1.58E+06	9.68E+05	1.73E+06	1.9E+06	1.6E+06	1.1E+06	1.21E+06	1.92E+06
4-Chloroacetanilide_2	1.06E+06	1.12E+06	9.36E+05	1.2E+06	1.67E+06	1.63E+06	1.11E+06	1.79E+06	1.07E+06	1.92E+06	1.86E+06	1.53E+06	1.96E+06	1.64E+06	1.14E+06	1.88E+06	9.4E+05	1.07E+06	1.73E+06	1.3E+06	1.74E+06	1.95E+06	1.71E+06	1.83E+06	1.12E+06	1.68E+06	1.97E+06	1.56E+06	1.95E+06	1.75E+06	1.58E+06	1.87E+06	1.63E+06	1.79E+06	9.93E+05	1.15E+06	1.3E+06	1.49E+06	8.92E+05	1.51E+06	1.67E+06	1.38E+06	9.99E+05	1.13E+06	1.79E+06
4-Hydroxy-4-methylglutamate	4.59E+05	4.02E+05	4.55E+05	5.18E+05	8.58E+05	5.25E+05	3.61E+05	2.6E+05	4.53E+05	6.09E+05	6.13E+05	4.7E+05	4.57E+05	7.21E+05	4.83E+05	5.18E+05	5.01E+05	6.5E+05	3.65E+05	5.66E+05	4.72E+05	3.61E+05	7.05E+05	8.85E+05	5.13E+05	2.51E+05	3.51E+05	5.63E+05	2.92E+05	2.2E+05	2.77E+05	3.64E+05	4.54E+05	4.5E+05	4.65E+05	4.28E+05	2.47E+05	3.66E+05	4.7E+05	2.28E+05	6.01E+05	4.79E+05	4.05E+05	4.96E+05	4.86E+05
4-Hydroxybenzoate	2.31E+05	1.71E+05	1.87E+05	2.35E+05	1.77E+05	1.73E+05	1.22E+05	1.64E+05	2.23E+05	2.04E+05	1.66E+05	2.33E+05	3.44E+05	1.8E+05	2.19E+05	3.73E+05	1.84E+05	1.99E+05	2.02E+05	2.56E+05	1.85E+05	2.57E+05	1.33E+05	1.43E+05	1.84E+05	3.09E+05	3.34E+05	3.42E+05	5.17E+05	5.16E+05	2.91E+05	2.42E+05	1.09E+05	2.04E+05	1.43E+05	1.41E+05	8.15E+04	1.63E+05	1.84E+05	1.91E+05	2.23E+05	1.95E+05	1.48E+05	3.55E+05	1.4E+05
4-Imidazolone-5-propanoate	1.43E+05	1.92E+05	2.08E+05	2.7E+05	3.18E+05	3.93E+05	1.94E+05	2.29E+05	2.33E+05	4.74E+05	2.5E+05	4.68E+05	3.5E+05	6.73E+05	1.5E+05	3.09E+05	2.38E+05	2.19E+05	4.44E+05	4.32E+05	4.72E+05	3.04E+05	1.69E+05	2.85E+05	1.86E+05	2.5E+05	6.22E+04	2.8E+05	2.89E+05	1.51E+05	9.19E+04	1.81E+05	2.68E+05	3.48E+05	2.19E+05	2.19E+05	1.87E+05	2.46E+05	1.55E+05	1.64E+05	3.89E+05	2.34E+05	2.14E+05	3.09E+05	2.42E+05
4-Oxoproline	1.82E+06	3.18E+06	3.87E+06	5.76E+06	3.01E+06	3.59E+06	2.37E+06	2.03E+06	3.81E+06	2.29E+06	2.62E+06	2.7E+06	3.57E+06	3.57E+06	3.2E+06	2.22E+06	3.77E+06	3.17E+06	1.78E+06	2.36E+06	1.67E+06	2.18E+06	1.67E+06	2.14E+06	2.9E+06	1.14E+06	6.93E+05	3.07E+06	2.77E+06	1.82E+06	1.38E+06	1.84E+06	4.32E+06	2.31E+06	2.76E+06	3.49E+06	2.65E+06	1.92E+06	2.83E+06	1.43E+06	4.54E+06	1.69E+06	2.74E+06	4.38E+06	4.28E+06
4-Sulfobenzyl alcohol	7.05E+05	1.29E+06	1.06E+06	1.41E+06	2E+06	2.22E+06	7.64E+05	1.45E+06	9.46E+05	2.3E+06	1.47E+06	2.68E+06	2.09E+06	2.46E+06	1.21E+06	1.39E+06	1.21E+06	1.24E+06	1.85E+06	1.77E+06	1.74E+06	1.76E+06	9.82E+05	1.45E+06	1.18E+06	1.24E+06	3.8E+05	2.05E+06	9.22E+05	8.51E+05	9.69E+05	1.38E+06	2.07E+06	1.85E+06	1E+06	9.17E+05	8.13E+05	1.21E+06	1.09E+06	1.06E+06	2E+06	1.38E+06	9.72E+05	1.35E+06	1.27E+06
5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene	7.79E+05	1.43E+06	8.44E+05	1.55E+06	1.69E+06	1.33E+06	8.78E+05	8.84E+05	9.3E+05	1.45E+06	9.59E+05	1.43E+06	1.23E+06	1.87E+06	1.12E+06	1.14E+06	1.29E+06	9.17E+05	9.45E+05	1.27E+06	9.6E+05	7.88E+05	6.94E+05	9.64E+05	8.72E+05	5.65E+05	2.71E+05	1.09E+06	9E+05	6.83E+05	5.6E+05	6.58E+05	1.64E+06	1.14E+06	7.81E+05	7.72E+05	5.41E+05	6.87E+05	7.67E+05	4.62E+05	1.32E+06	7.58E+05	7.99E+05	9.64E+05	1.41E+06
5-Acetylamino-6-formylamino-3-methyluracil	5.25E+05	9.46E+05	1.15E+06	7.71E+05	7.64E+05	1.63E+06	1.61E+06	5.94E+05	1.17E+06	8.29E+05	1.17E+06	6.41E+05	9.2E+05	9.26E+05	8.47E+05	7.27E+05	8.35E+05	7.33E+05	9.56E+05	1.38E+06	6.09E+05	7.91E+05	7.31E+05	1.13E+06	5.02E+05	9.22E+05	7.51E+05	7.32E+05	2.09E+06	1.19E+06	7.9E+05	6.5E+05	8.11E+05	3.9E+05	7.39E+05	1.06E+06	1.19E+06	6.89E+05	5.49E+05	1.05E+06	1.16E+06	4.94E+05	9.64E+05	1.1E+06	1.39E+06
5-Hydroxymethyldeoxycytidylate	4.53E+05	4.31E+05	4.83E+05	4.19E+05	4.61E+05	4.62E+05	4.69E+05	5.12E+05	4.6E+05	4.65E+05	4.94E+05	4.78E+05	4.94E+05	4.85E+05	5.06E+05	5.2E+05	4.81E+05	4.75E+05	4.97E+05	4.86E+05	5.36E+05	4.75E+05	5.27E+05	4.98E+05	4.82E+05	5.6E+05	5.65E+05	4.76E+05	4.92E+05	5.19E+05	5.02E+05	5.03E+05	4.65E+05	4.81E+05	4.84E+05	4.96E+05	5.16E+05	5.48E+05	5.02E+05	5.33E+05	4.5E+05	5.04E+05	4.57E+05	4.44E+05	4.71E+05
5-Methylthiopentanaldoxime	2.26E+06	2.93E+06	1.62E+06	4.64E+06	3.45E+06	1.39E+06	1.58E+06	2.81E+06	1.63E+06	2.98E+06	1.28E+06	3E+06	1.89E+06	1.82E+06	2.65E+06	2.25E+06	2.87E+06	3.12E+06	1.51E+06	2.41E+06	2.65E+06	1.15E+06	2.63E+06	2.02E+06	3.6E+06	6.04E+05	1.57E+06	2.63E+06	6.96E+05	1.11E+06	1.96E+06	1.7E+06	3.23E+06	3.02E+06	2.51E+06	2.12E+06	1.08E+06	2.21E+06	2.78E+06	1.15E+06	1.59E+06	1.95E+06	1.63E+06	1.57E+06	1.99E+06
5-Oxo-1,2-campholide	2.66E+06	2.6E+06	2.44E+06	2.59E+06	2.5E+06	2.39E+06	2.43E+06	2.45E+06	2.49E+06	2.57E+06	2.45E+06	2.41E+06	2.36E+06	2.36E+06	2.31E+06	2.29E+06	2.25E+06	2.15E+06	2.26E+06	2.18E+06	2.06E+06	2.09E+06	2.11E+06	2.06E+06	1.98E+06	1.89E+06	1.85E+06	1.98E+06	1.9E+06	1.87E+06	1.76E+06	1.73E+06	1.76E+06	1.79E+06	1.81E+06	1.74E+06	1.69E+06	1.68E+06	1.61E+06	1.67E+06	1.72E+06	1.72E+06	1.67E+06	1.66E+06	1.67E+06
5''-Phosphoribostamycin	2.88E+05	2.83E+05	8.75E+05	3.2E+05	3.84E+05	3.7E+05	3.95E+05	3.76E+05	3.77E+05	3.9E+05	4.15E+05	3.85E+05	4.25E+05	4.07E+05	4.28E+05	4E+05	4.23E+05	4.17E+05	4.27E+05	4.19E+05	4.59E+05	4.22E+05	4.34E+05	4.25E+05	4.73E+05	4.43E+05	4.47E+05	3.98E+05	4.33E+05	4.51E+05	4.01E+05	4.41E+05	4.28E+05	4.49E+05	4.14E+05	4.08E+05	4.16E+05	4.28E+05	4.29E+05	4.39E+05	4.67E+05	4.5E+05	4.31E+05	4.11E+05	4.28E+05
6-Benzylaminopurine	1.67E+06	1.64E+06	1.63E+06	1.66E+06	1.74E+06	1.66E+06	1.71E+06	1.76E+06	1.69E+06	1.62E+06	1.74E+06	1.75E+06	1.74E+06	1.71E+06	1.75E+06	1.66E+06	1.7E+06	1.63E+06	1.68E+06	1.66E+06	1.69E+06	1.68E+06	1.66E+06	1.73E+06	1.76E+06	1.72E+06	1.63E+06	1.67E+06	1.71E+06	1.65E+06	1.59E+06	1.64E+06	1.62E+06	1.61E+06	1.6E+06	1.61E+06	1.53E+06	1.63E+06	1.66E+06	1.59E+06	1.67E+06	1.58E+06	1.55E+06	1.63E+06	1.65E+06
6-Phospho-D-glucosaminate	4.51E+04	4.4E+04	4.06E+04	4.05E+04	9.91E+03	2.51E+04	2.79E+04	1.87E+04	3.26E+04	3.36E+04	2.35E+04	2.9E+04	3.27E+04	1.81E+04	3.34E+04	2.47E+04	3.66E+04	3.98E+04	2.9E+04	2.93E+04	2.2E+04	3.5E+04	2.48E+04	2.43E+04	3.86E+04	2.39E+04	2.66E+04	2.91E+04	3.56E+04	6.8E+04	4.91E+04	2.9E+04	2.28E+04	2.6E+04	3.34E+04	2.87E+04	2.29E+04	2.18E+04	2.91E+04	6.27E+05	5.54E+04	1.78E+04	4.01E+04	4.13E+04	2.14E+04
7-Methyluric acid	4.32E+05	8.03E+05	5.53E+05	7.76E+05	7.25E+05	7.01E+05	5.17E+05	5.01E+05	5.61E+05	7.08E+05	5.82E+05	7.22E+05	6.97E+05	8.97E+05	6.23E+05	5.55E+05	8.2E+05	7.22E+05	6.01E+05	5.93E+05	5.86E+05	6.25E+05	4E+05	4.61E+05	5.86E+05	4.09E+05	2.15E+05	7.15E+05	4.68E+05	4.36E+05	3.83E+05	5.08E+05	7.85E+05	6.22E+05	6.77E+05	6.49E+05	3.88E+05	3.87E+05	5.92E+05	3.79E+05	7.69E+05	4.71E+05	6.29E+05	7.76E+05	5.38E+05
9,10-Phenanthroquinone	4.56E+05	5.64E+05	5.61E+05	8.99E+05	6.99E+05	6.38E+05	4.52E+05	4.23E+05	6.3E+05	7.35E+05	4.85E+05	6.49E+05	6.79E+05	8.66E+05	4.72E+05	4.31E+05	5.24E+05	4.99E+05	5.79E+05	6.36E+05	4.54E+05	5E+05	4.56E+05	5.31E+05	5.56E+05	4.06E+05	1.94E+05	5.13E+05	3.47E+05	3.93E+05	2.71E+05	4.28E+05	4.33E+05	6.07E+05	5.05E+05	5.59E+05	3.58E+05	4.46E+05	4.46E+05	3.77E+05	7.12E+05	4.67E+05	4.91E+05	6.53E+05	5.14E+05
9,12,13-TriHOME	9.25E+05	9.06E+05	9.57E+05	9.4E+05	9.1E+05	9.59E+05	9.63E+05	9.67E+05	9.45E+05	1.02E+06	1.02E+06	1.1E+06	1.05E+06	1.03E+06	1.02E+06	1.06E+06	1.07E+06	1.04E+06	1.03E+06	1E+06	1.04E+06	1.02E+06	1.03E+06	1.05E+06	1.07E+06	1.07E+06	1.01E+06	1.03E+06	9.86E+05	9.97E+05	1.04E+06	1.05E+06	1.01E+06	1.06E+06	1.03E+06	1.04E+06	1.02E+06	1.02E+06	9.89E+05	9.89E+05	1.03E+06	1.02E+06	9.66E+05	1.03E+06	9.63E+05
Acadesine	6.68E+05	5.19E+04	4.13E+04	9.41E+05	2.92E+05	3.3E+04	5.84E+05	4.65E+04	3.58E+04	7.3E+04	6.09E+05	8.43E+04	8.06E+05	4.21E+05	3.41E+05	8.94E+04	9.51E+05	1.09E+06	4.03E+04	2.14E+05	3.58E+05	3.96E+04	3.1E+05	1.23E+05	6.69E+05	3.11E+04	1.02E+06	7.75E+05	7.16E+04	9.47E+05	2.15E+06	4.74E+04	1.05E+05	6.79E+04	7.23E+05	8.23E+05	4.25E+04	6.87E+05	6.83E+05	5.94E+04	7.07E+05	3.82E+04	6.42E+04	6.54E+04	5.9E+05
Acetyl-maltose	3.35E+05	7.36E+05	6.39E+05	1.33E+06	7.28E+05	6.42E+05	5.24E+05	3.13E+05	6.04E+05	7.82E+05	4.47E+05	7.27E+05	7.67E+05	1.05E+06	6.86E+05	6.13E+05	9.17E+05	6.9E+05	5.11E+05	6.78E+05	5.89E+05	5.17E+05	3.15E+05	4.97E+05	6.47E+05	2.29E+05	9.23E+04	8.31E+05	5.25E+05	3.98E+05	3.55E+05	3.85E+05	1.05E+06	6.74E+05	7.58E+05	7.48E+05	3.22E+05	3.35E+05	8.36E+05	2.89E+05	1.04E+06	3.69E+05	8.01E+05	9.91E+05	8.51E+05
ADP	3.52E+05	4.55E+05	3.64E+05	5.21E+05	6.75E+05	3.45E+05	3.65E+05	4.91E+05	3.56E+05	4.5E+05	4.28E+05	4.98E+05	2.66E+05	5.41E+05	4.52E+05	1.02E+06	7.85E+05	3.71E+05	4.59E+05	5.63E+05	3.8E+05	2.84E+05	7.68E+05	4.99E+05	4.86E+05	2.63E+05	6.03E+05	4.2E+05	6.53E+05	5.35E+05	7.32E+05	4.44E+05	1.1E+06	4.91E+05	4.24E+05	3.47E+05	3.42E+05	3.93E+05	5.01E+05	3.16E+05	8.43E+05	3.67E+05	3.22E+05	4.33E+05	5.21E+05
alpha,beta-Didehydrotryptophan	1.43E+06	1.19E+06	1.34E+06	1.09E+06	1.28E+06	1.36E+06	1.39E+06	1.48E+06	1.31E+06	1.28E+06	1.46E+06	1.34E+06	1.43E+06	1.24E+06	1.41E+06	1.5E+06	1.31E+06	1.38E+06	1.55E+06	1.24E+06	1.53E+06	1.47E+06	1.54E+06	1.44E+06	1.33E+06	1.67E+06	1.67E+06	1.3E+06	1.44E+06	1.67E+06	1.53E+06	1.52E+06	1.23E+06	1.35E+06	1.43E+06	1.44E+06	1.57E+06	1.44E+06	1.42E+06	1.53E+06	1.11E+06	1.42E+06	1.27E+06	1.23E+06	1.26E+06
AMP	1.22E+05	6.05E+05	2.19E+06	2.82E+05	9.65E+04	8.72E+04	1.06E+05	1.53E+05	1.93E+06	9.15E+04	1.15E+05	7.73E+04	1.87E+05	1.77E+05	1.75E+05	2.75E+06	2.65E+06	1.55E+05	9.09E+04	1.07E+05	1.71E+05	2.22E+05	2.24E+05	1.11E+05	2.25E+05	1.33E+05	1.38E+06	2.94E+05	2.04E+06	2.16E+05	3.09E+06	9.01E+04	3.55E+05	9.41E+04	1.45E+05	1.3E+05	1.78E+06	9.32E+04	1.02E+06	1.01E+05	2.5E+06	6.45E+04	1.48E+05	2.84E+06	8.27E+04
Arachidonate	4.82E+05	8.79E+05	1.4E+06	1.68E+06	3.32E+05	3.8E+05	8.81E+05	4.86E+05	1.2E+06	5.85E+05	3.42E+05	4.47E+05	4.06E+05	3.81E+05	1.31E+06	2.83E+05	6.82E+05	1.07E+06	3.81E+05	2.38E+05	3.65E+05	2.59E+05	2.57E+05	2.16E+05	1.73E+06	3.31E+05	3.85E+05	6.34E+05	2.82E+05	2.71E+05	2.28E+05	2.48E+05	1.22E+05	3.59E+05	7.46E+05	9.92E+05	6.27E+04	4.91E+05	1.14E+06	1.73E+05	1.52E+05	1.67E+05	2.13E+06	2.71E+06	7.59E+04
Arginine	1.92E+06	2.62E+06	3.14E+06	2.09E+06	2.02E+06	2.47E+06	2.24E+06	2.6E+06	2.76E+06	2.82E+06	2.58E+06	2.6E+06	3.32E+06	2.77E+06	2.26E+06	2.84E+06	2.73E+06	2.38E+06	2.75E+06	2.84E+06	3.64E+06	3.17E+06	2.74E+06	2.81E+06	2.44E+06	3.3E+06	3E+06	3.22E+06	3.23E+06	3.07E+06	2.99E+06	2.76E+06	2.79E+06	2.61E+06	2.35E+06	2.53E+06	2.84E+06	2.88E+06	2.87E+06	3.04E+06	3.12E+06	2.76E+06	2.58E+06	2.65E+06	2.99E+06
Aryl sulfate	1.64E+06	2.53E+06	7.36E+05	9.95E+05	1.66E+06	3.63E+05	8.73E+05	8.18E+05	1.67E+06	1.93E+06	1.07E+06	1.35E+06	9.82E+05	9.4E+05	1.87E+06	3.9E+05	1.16E+06	1.77E+06	1.34E+06	6.82E+05	1.01E+06	4.47E+05	8.84E+05	3.78E+05	1.27E+06	9.07E+05	9.56E+04	7.13E+05	6.01E+05	5.6E+05	4.27E+05	3.6E+06	6.14E+05	3.02E+05	1.78E+06	1.07E+06	2.41E+05	6.52E+05	1.28E+06	2.23E+05	7.99E+05	2.33E+06	9.78E+05	1.67E+06	4.17E+05
Aspartic acid	9.06E+06	7.15E+06	8.72E+06	1.65E+07	1.41E+07	7.84E+06	8.69E+06	5.91E+06	8.37E+06	1.4E+07	1.08E+07	1.37E+07	1.07E+07	1.87E+07	1.32E+07	8.35E+06	7.12E+06	1.23E+07	1.17E+07	1.52E+07	5.84E+06	9.36E+06	1.13E+07	1.56E+07	1.16E+07	7.11E+06	6.68E+06	6.47E+06	1.01E+07	9.29E+06	8.26E+06	2.05E+07	1.55E+07	1.14E+07	1.29E+07	8.3E+06	6.18E+06	9.93E+06	8.78E+06	7.73E+06	1.37E+07	2.67E+07	9.63E+06	6.23E+06	1.34E+07
Azelaic acid	1E+06	1.76E+06	1.93E+06	4.36E+06	8.69E+05	1.19E+06	1.75E+06	9.68E+05	1.46E+06	8.99E+05	8.25E+05	9.85E+05	1.25E+06	8.39E+05	2.33E+06	9.12E+05	1.78E+06	2.51E+06	1.12E+06	9.33E+05	1.88E+06	9.22E+05	9.42E+05	9.78E+05	2.45E+06	1.11E+06	9.02E+05	1.29E+06	9.32E+05	1.18E+06	8.34E+05	9.46E+05	1.55E+06	1.49E+06	1.9E+06	1.6E+06	8.24E+05	1.41E+06	2.7E+06	8.87E+05	8.42E+05	8.8E+05	2.08E+06	2.81E+06	8.46E+05
Bakankoside	1.01E+07	1.53E+07	1E+07	1.75E+07	1.52E+07	1.61E+07	1.24E+07	1.04E+07	1.17E+07	1.51E+07	1.28E+07	1.29E+07	1.41E+07	1.95E+07	1.75E+07	1.42E+07	1.55E+07	1.94E+07	1.5E+07	1.26E+07	1.25E+07	1.7E+07	8.45E+06	1.3E+07	1.29E+07	7.74E+06	5.78E+06	1.77E+07	1.1E+07	9.74E+06	8.99E+06	1.2E+07	1.8E+07	1.58E+07	1.67E+07	1.56E+07	8.29E+06	9.53E+06	1.29E+07	9.75E+06	1.9E+07	1.81E+07	1.61E+07	2.08E+07	1.48E+07
Bakkenolide A	7.12E+05	7.59E+05	6.76E+05	6.38E+05	6.71E+05	6.9E+05	6.95E+05	6.75E+05	7.6E+05	6.96E+05	6.47E+05	6.61E+05	6.54E+05	6.6E+05	6.78E+05	6.81E+05	6.94E+05	6.81E+05	6.14E+05	6.77E+05	6.66E+05	6.52E+05	6.84E+05	5.8E+05	6.36E+05	6.26E+05	6.5E+05	6.79E+05	6.16E+05	6.69E+05	6.13E+05	6.48E+05	6.69E+05	6.45E+05	6.22E+05	7.01E+05	6.3E+05	6.43E+05	6.79E+05	6.41E+05	6.12E+05	7.03E+05	5.82E+05	5.9E+05	6.44E+05
Bendiocarb	4.01E+05	4.91E+05	4.63E+05	9.03E+05	1.51E+05	2.35E+05	7.58E+05	3.99E+05	5.94E+05	1.91E+05	1.02E+05	1.76E+05	2.73E+05	1.95E+05	6.34E+05	1.24E+05	9.06E+05	7.18E+05	1.32E+05	1.78E+05	2.65E+05	1.25E+05	9.5E+04	1.2E+05	9.93E+05	1.52E+05	4.4E+04	1.37E+05	1.57E+05	1.23E+05	8.83E+04	9.64E+04	2.29E+05	5.38E+05	3.61E+05	6.76E+05	9.23E+04	1.31E+05	5.02E+05	1.04E+05	1.76E+05	9.82E+04	9.4E+05	8.15E+05	2.32E+05
Bis(4'-chlorophenyl)acetate_1	4.55E+05	5.13E+05	4.39E+05	5.36E+05	8.51E+05	9.25E+05	5.47E+05	1E+06	5.61E+05	9.99E+05	9.2E+05	8.41E+05	1.04E+06	9.16E+05	6.04E+05	9.64E+05	4.62E+05	5.14E+05	8.59E+05	7.63E+05	9.58E+05	9.46E+05	9.05E+05	1.03E+06	6.07E+05	8.76E+05	1.08E+06	8.49E+05	1.07E+06	9.48E+05	8.12E+05	1.1E+06	9.42E+05	9.74E+05	5.26E+05	6.25E+05	7.29E+05	8.01E+05	5.27E+05	9.48E+05	1E+06	8.12E+05	5.91E+05	6.82E+05	1E+06
Bis(4'-chlorophenyl)acetate_2	4.99E+05	5.48E+05	4.61E+05	5.04E+05	8.34E+05	7.01E+05	4.67E+05	9.05E+05	5.42E+05	9.54E+05	8.67E+05	7.36E+05	1.1E+06	7.7E+05	5.81E+05	9.28E+05	4.78E+05	4.92E+05	8.44E+05	6.77E+05	9.57E+05	1.04E+06	9.61E+05	1.01E+06	5.49E+05	9.16E+05	9.13E+05	7.51E+05	1.02E+06	8.35E+05	7.93E+05	9.17E+05	7.71E+05	9.93E+05	4.8E+05	5.84E+05	6.59E+05	7.09E+05	4.78E+05	8.56E+05	8.98E+05	7.6E+05	5.79E+05	5.94E+05	8.99E+05
BMS-268770	1.29E+06	2.32E+06	2.09E+06	3.07E+06	2E+06	2.15E+06	1.39E+06	1.75E+06	1.84E+06	1.95E+06	1.58E+06	1.73E+06	2.7E+06	2.29E+06	1.61E+06	1.95E+06	2.84E+06	1.77E+06	1.48E+06	1.99E+06	1.8E+06	1.76E+06	1.26E+06	1.42E+06	1.82E+06	9.73E+05	6.28E+05	2.66E+06	1.86E+06	1.26E+06	1.52E+06	1.49E+06	2.68E+06	1.66E+06	1.65E+06	1.76E+06	1.65E+06	1.25E+06	2.35E+06	1.2E+06	3.06E+06	1.38E+06	1.74E+06	2.47E+06	1.85E+06
Botrydial_1	6.34E+05	6.23E+05	6.26E+05	6.41E+05	6.52E+05	6.89E+05	6.58E+05	6.53E+05	6.41E+05	6.28E+05	6.84E+05	7.03E+05	7.02E+05	7.1E+05	7.08E+05	7.02E+05	7.06E+05	7.15E+05	7.36E+05	6.99E+05	6.81E+05	7.4E+05	7.31E+05	7.02E+05	6.97E+05	7.05E+05	7.17E+05	7.13E+05	7.03E+05	6.88E+05	7.3E+05	7.51E+05	7.23E+05	7.09E+05	6.94E+05	6.77E+05	6.95E+05	7.21E+05	6.7E+05	6.5E+05	6.53E+05	6.86E+05	6.7E+05	7.03E+05	6.79E+05
Botrydial_2	1.88E+05	2.12E+05	1.93E+05	2E+05	2.26E+05	2.03E+05	1.85E+06	2.08E+05	2.07E+05	2.09E+05	2.23E+05	2.26E+05	2.44E+05	2.3E+05	2.22E+05	2.31E+05	2.22E+05	2.33E+05	2.1E+05	2.1E+05	2.27E+05	2.14E+05	2.21E+05	2.13E+05	2.21E+05	2.14E+05	2.12E+05	2.27E+05	2.01E+05	2.02E+05	2.3E+05	2.16E+05	2.02E+05	2.24E+05	2.1E+05	2.16E+05	2.19E+05	2.14E+05	2.16E+05	1.99E+05	2.18E+05	2.04E+05	2.01E+05	2.13E+05	1.94E+05
C20913	5.4E+05	5.44E+05	4.43E+05	8.34E+05	6.26E+05	4.64E+05	6.82E+05	3.38E+05	5.52E+05	6.69E+05	5.5E+05	4.29E+05	6.13E+05	6.08E+05	6.98E+05	5.1E+05	8.11E+05	8.4E+05	5.22E+05	5.46E+05	5.66E+05	4.89E+05	4.84E+05	5.5E+05	7.28E+05	2.67E+05	2.52E+05	6.35E+05	4.92E+05	4.03E+05	6.11E+05	4.82E+05	5.35E+05	4.82E+05	8.17E+05	7.07E+05	4.38E+05	4.63E+05	6.76E+05	3.12E+05	7.19E+05	5.29E+05	6.51E+05	6.53E+05	5.98E+05
Cammaconine	6.05E+04	2.04E+05	1.26E+05	1.96E+05	0	2.75E+04	1.13E+05	3.58E+04	6.04E+05	2.55E+04	0	1.62E+04	4.54E+04	0	1.54E+05	1.5E+03	1.57E+05	1.78E+05	3.23E+04	0	2.23E+04	1.97E+04	1.78E+03	2.24E+03	3.94E+05	1.97E+04	0	3.26E+04	3.73E+03	0	1.89E+03	3.5E+03	0	4.91E+04	1.06E+05	1.79E+05	0	2.21E+04	1.37E+05	1.3E+04	0	1.49E+04	3.93E+05	1.08E+06	0
CITRATE	4.84E+06	2.21E+06	1.66E+05	5.85E+06	5.8E+06	6.89E+05	2.42E+06	1.92E+06	2.69E+05	5.4E+06	2.18E+06	4.16E+06	1.17E+06	3.84E+06	5.56E+06	1.48E+06	3.89E+06	6.82E+06	2E+06	6.02E+06	2.9E+06	4.04E+05	4.23E+06	4.64E+06	5.03E+06	2.37E+05	2.55E+06	3.4E+06	3.37E+05	1.51E+06	2.61E+06	2.18E+06	4.82E+06	3.77E+06	5.36E+06	3.23E+06	1.65E+05	4.18E+06	3.53E+06	8.31E+05	1.75E+06	3.06E+06	2.33E+06	2.95E+05	6.93E+06
Coniferyl alcohol	5.51E+05	5.58E+05	5.81E+05	5.82E+05	5.67E+05	5.49E+05	6.1E+05	6.25E+05	5.92E+05	6.22E+05	6.1E+05	6.02E+05	6.31E+05	6.66E+05	6.51E+05	6.39E+05	6.65E+05	6.18E+05	6.41E+05	6.57E+05	6.49E+05	6.39E+05	6.72E+05	6.48E+05	6.65E+05	6.49E+05	6.52E+05	6.72E+05	6.39E+05	6.15E+05	6.11E+05	6.18E+05	6.4E+05	6.76E+05	6.75E+05	5.93E+05	6.15E+05	6.24E+05	6.6E+05	6.31E+05	6.48E+05	6.25E+05	6.46E+05	6.47E+05	6.33E+05
Coronene	7.26E+05	1.42E+06	8.66E+05	9.47E+05	1.33E+06	1.07E+06	9.98E+05	8.11E+05	1.03E+06	1.04E+06	1.07E+06	1.06E+06	9.68E+05	1.55E+06	1.14E+06	1.3E+06	1.15E+06	1.15E+06	1.07E+06	1.33E+06	9.17E+05	1.15E+06	1.01E+06	1.09E+06	1.04E+06	7.67E+05	5.73E+05	1.35E+06	1.04E+06	1.22E+06	9.55E+05	9.62E+05	1.97E+06	1.24E+06	1.27E+06	1.26E+06	9.48E+05	6.97E+05	1.1E+06	9.11E+05	1.53E+06	1.08E+06	1.28E+06	1.42E+06	1.37E+06
Creatine-D3	1.54E+06	1.34E+06	1.39E+06	1.3E+06	1.36E+06	1.44E+06	1.44E+06	1.47E+06	1.47E+06	1.36E+06	1.41E+06	1.38E+06	1.47E+06	1.31E+06	1.38E+06	1.48E+06	1.36E+06	1.36E+06	1.44E+06	1.35E+06	1.5E+06	1.42E+06	1.41E+06	1.41E+06	1.35E+06	1.53E+06	1.46E+06	1.36E+06	1.45E+06	1.5E+06	1.39E+06	1.43E+06	1.25E+06	1.26E+06	1.33E+06	1.34E+06	1.42E+06	1.35E+06	1.36E+06	1.4E+06	1.2E+06	1.3E+06	1.22E+06	1.18E+06	1.22E+06
Cytidine	5.22E+05	6.19E+05	5.67E+05	7.02E+05	6.17E+05	5.19E+05	5.62E+05	5.74E+05	6.52E+05	5.72E+05	6.19E+05	5.98E+05	5.76E+05	8.22E+05	6.92E+05	5.5E+05	5.04E+05	5.38E+05	5.31E+05	5.74E+05	5.34E+05	5.78E+05	5.45E+05	5.03E+05	6.28E+05	4.57E+05	4.08E+05	5.82E+05	4.8E+05	5.2E+05	5.1E+05	4.83E+05	7.22E+05	5.78E+05	5.66E+05	5.9E+05	4.93E+05	5.74E+05	4.77E+05	4.6E+05	5.68E+05	5.09E+05	6.39E+05	8.31E+05	6.58E+05
D-(+)-TREHALOSE	1.37E+07	2.15E+07	1.99E+07	2.97E+07	2.34E+07	2.15E+07	1.55E+07	1.47E+07	1.99E+07	2.23E+07	1.69E+07	2.17E+07	2.5E+07	3.12E+07	1.95E+07	2.07E+07	2.67E+07	2.23E+07	1.89E+07	2.15E+07	2.2E+07	1.98E+07	1.28E+07	1.83E+07	2.03E+07	1.09E+07	5.73E+06	2.48E+07	2E+07	1.51E+07	1.4E+07	1.62E+07	2.84E+07	1.97E+07	2.07E+07	1.98E+07	1.39E+07	1.53E+07	2.06E+07	1.27E+07	3.28E+07	1.56E+07	2.21E+07	2.57E+07	2.12E+07
D-2-Hydroxyisocaproate	5.56E+04	1.62E+05	4.27E+05	4.33E+05	1.04E+05	6.24E+05	2.85E+05	1.16E+05	4.43E+05	1.44E+05	4.11E+05	1.73E+05	6.58E+05	5.9E+05	2.17E+05	3.11E+05	1.85E+05	2E+05	3.76E+05	2.2E+05	2.61E+05	5.38E+05	7.8E+04	2.46E+05	1.67E+05	4.09E+05	9.13E+04	1.85E+05	4.53E+05	2.81E+05	1.14E+05	2.57E+05	1.18E+05	1.63E+05	1.51E+05	2.18E+05	3.86E+05	1.42E+05	1.87E+05	2.88E+05	7.72E+05	1.49E+05	3.66E+05	5.7E+05	1.56E+05
D-Arabinono-1,4-lactone	5.37E+06	9.19E+06	1.39E+07	1.2E+07	1E+07	1.33E+07	8.29E+06	8.32E+06	1.2E+07	1.17E+07	1.17E+07	1.13E+07	2.13E+07	1.45E+07	1.13E+07	1.52E+07	1.11E+07	1.04E+07	9.52E+06	1.26E+07	1.37E+07	1.1E+07	7.31E+06	1.02E+07	8.37E+06	6.91E+06	4.33E+06	1.41E+07	1.18E+07	7.82E+06	5.94E+06	8.35E+06	1.26E+07	1.21E+07	9.5E+06	1.16E+07	1.16E+07	7.36E+06	8.53E+06	8.49E+06	1.93E+07	8.27E+06	1.08E+07	1.53E+07	1.2E+07
DCEBIO	2E+05	2.1E+05	1.99E+05	2.18E+05	2.2E+05	2.09E+05	2.05E+05	2.06E+05	2.26E+05	2.63E+05	3.6E+05	4.18E+05	5.41E+05	8.64E+05	6.18E+05	9.87E+05	1.1E+06	1.16E+06	1.23E+06	1.32E+06	1.21E+06	1.33E+06	1.11E+06	1.12E+06	1.2E+06	1.03E+06	7.58E+05	9.3E+05	6.47E+05	5.63E+05	2.6E+05	1.85E+05	3.15E+05	2.34E+05	1.69E+05	1.57E+05	1.32E+05	1.46E+05	1.49E+05	1.22E+05	1.38E+05	1.36E+05	1.32E+05	1.51E+05	1.38E+05
DCI	5.4E+05	9.05E+05	6.39E+05	8.09E+05	1.32E+06	9.76E+05	5.59E+05	5.25E+05	5.5E+05	9.32E+05	6.39E+05	7.37E+05	8.33E+05	1.23E+06	5.89E+05	7.99E+05	8.76E+05	6.91E+05	7.3E+05	7.42E+05	7.07E+05	6.54E+05	6.3E+05	7.42E+05	7.76E+05	3.94E+05	2.91E+05	8.92E+05	6.89E+05	6.35E+05	5.32E+05	5.13E+05	1.22E+06	5.95E+05	6.31E+05	5.55E+05	7.66E+05	4.79E+05	7.3E+05	3.66E+05	1.32E+06	5.36E+05	6.7E+05	8.59E+05	9.7E+05
D-Erythrose	1.76E+05	3.17E+05	3.43E+05	3.92E+05	3.63E+05	4.44E+05	4.29E+05	2.3E+05	3.13E+05	3.04E+05	3.52E+05	2.93E+05	3.01E+05	4.32E+05	2.83E+05	2.83E+05	3.78E+05	2.68E+05	3.28E+05	4.48E+05	2.75E+05	2.68E+05	2.32E+05	3.68E+05	2.59E+05	2.89E+05	2.35E+05	2.78E+05	6.32E+05	4.03E+05	2.61E+05	2.28E+05	4.48E+05	2.63E+05	2.45E+05	3.47E+05	3.52E+05	2.19E+05	2.4E+05	3.16E+05	4.51E+05	1.83E+05	3.61E+05	4.02E+05	4.25E+05
D-Glucarate	1.9E+06	2.28E+06	1.64E+06	2.94E+06	1.39E+06	7.68E+05	1.67E+06	9.91E+05	1.26E+06	1.83E+06	6.64E+05	1.21E+06	7.98E+05	7.15E+05	2.06E+06	8.37E+05	2.03E+06	2.12E+06	1.25E+06	1.11E+06	1.06E+06	6.74E+05	8.48E+05	1.11E+06	2.39E+06	7.05E+05	4.36E+05	1.7E+06	5.25E+05	8.62E+05	1E+06	9.86E+05	1.36E+06	1.44E+06	2.65E+06	1.44E+06	9.94E+05	9.23E+05	2.1E+06	5.78E+05	5.33E+05	1.02E+06	2.05E+06	1.48E+06	6.75E+05
D-GLUCURONOLACTONE	1.09E+06	1.6E+06	1.55E+06	1.91E+06	1.5E+06	1.65E+06	1.32E+06	1.12E+06	1.46E+06	1.72E+06	1.14E+06	1.52E+06	1.69E+06	1.96E+06	1.53E+06	1.46E+06	1.47E+06	1.68E+06	1.61E+06	1.78E+06	1.42E+06	1.26E+06	1.5E+06	1.64E+06	1.69E+06	9.47E+05	8.2E+05	1.3E+06	1.43E+06	1.22E+06	1.18E+06	1.34E+06	1.67E+06	1.53E+06	1.44E+06	1.61E+06	1.07E+06	1.31E+06	1.46E+06	1.12E+06	1.91E+06	1.14E+06	1.5E+06	1.45E+06	1.56E+06
Dinoseb_1	5.25E+05	5.25E+05	5.06E+05	5.12E+05	5.36E+05	5.34E+05	5.37E+05	5.1E+05	5.18E+05	5.43E+05	5.41E+05	5.44E+05	5.62E+05	5.57E+05	5.42E+05	5.15E+05	5.16E+05	5.38E+05	5.28E+05	5.6E+05	5.24E+05	5.58E+05	5.26E+05	5.45E+05	5.17E+05	5.51E+05	5.08E+05	5.54E+05	5.3E+05	5.15E+05	5.63E+05	5.47E+05	5.53E+05	5.31E+05	5.16E+05	4.99E+05	4.85E+05	5.06E+05	5.09E+05	4.87E+05	5.26E+05	5.22E+05	5.29E+05	5.22E+05	5.52E+05
Dinoseb_2	4.82E+05	4.63E+05	4.87E+05	4.97E+05	4.72E+05	5.15E+05	5.13E+05	5.11E+05	5.14E+05	5.21E+05	5.04E+05	5.29E+05	5.36E+05	5.4E+05	5.13E+05	5.18E+05	5.15E+05	5.08E+05	5.1E+05	5.37E+05	5.1E+05	5.31E+05	5.36E+05	5.23E+05	5.03E+05	5.19E+05	5.05E+05	5.05E+05	5.16E+05	4.94E+05	4.95E+05	5.2E+05	5.03E+05	4.76E+05	4.96E+05	4.74E+05	4.7E+05	5.03E+05	4.8E+05	4.92E+05	4.92E+05	5.06E+05	4.98E+05	4.91E+05	5.2E+05
Diphyllin	4.12E+06	6.63E+06	6.1E+06	9.33E+06	6.98E+06	6.45E+06	4.79E+06	4.2E+06	6.46E+06	6.73E+06	5.1E+06	6.4E+06	7.53E+06	9.55E+06	5.68E+06	6.31E+06	7.69E+06	6.17E+06	5.58E+06	6.63E+06	6.49E+06	5.75E+06	3.97E+06	5.47E+06	5.82E+06	3.22E+06	1.77E+06	7.17E+06	5.63E+06	4.24E+06	4.06E+06	4.75E+06	8.39E+06	5.86E+06	6.11E+06	6.03E+06	4.03E+06	4.43E+06	6.1E+06	3.74E+06	9.82E+06	4.68E+06	6.84E+06	7.68E+06	6.33E+06
D-Xylonate	9.79E+06	1.28E+07	1.19E+07	1.62E+07	1.19E+07	1.2E+07	1.1E+07	1.1E+07	1.04E+07	1.32E+07	1.01E+07	1.09E+07	1.18E+07	1.28E+07	1.02E+07	1.05E+07	1.31E+07	1.15E+07	1.19E+07	1.09E+07	1.28E+07	9.14E+06	7.86E+06	8.73E+06	1.18E+07	6.37E+06	2.9E+06	1.09E+07	8.93E+06	6.56E+06	5.77E+06	7.33E+06	1.07E+07	1.27E+07	9.1E+06	1.04E+07	8.3E+06	7.39E+06	1.04E+07	6.9E+06	1.18E+07	8.99E+06	9.06E+06	1.14E+07	1.01E+07
Endothal-disodium	9.18E+05	1.03E+06	7.48E+05	8.74E+05	7.88E+05	7.02E+05	6.67E+05	6.29E+05	6.3E+05	5.87E+05	5.42E+05	5.06E+05	5.4E+05	5.11E+05	5.33E+05	4.77E+05	4.77E+05	4.68E+05	4.76E+05	4.47E+05	4.29E+05	4.32E+05	3.95E+05	4.17E+05	4.18E+05	4.08E+05	3.74E+05	3.93E+05	4.06E+05	3.78E+05	3.7E+05	3.55E+05	3.75E+05	3.69E+05	3.74E+05	3.47E+05	3.46E+05	3.31E+05	3.43E+05	3.28E+05	3.4E+05	3.32E+05	3.2E+05	3.34E+05	3.2E+05
Ethanolamine phosphate	6.5E+06	6.75E+06	6.04E+06	7.58E+06	8.56E+06	6.46E+06	6.11E+06	7.08E+06	6.15E+06	8.15E+06	7.23E+06	8.25E+06	6.9E+06	8.56E+06	6.48E+06	8.18E+06	6.7E+06	6.73E+06	6.98E+06	8.28E+06	6.33E+06	6.94E+06	8.3E+06	8.11E+06	6.58E+06	6.32E+06	5.88E+06	7.07E+06	7.01E+06	6.3E+06	6.73E+06	6.7E+06	8.59E+06	7.01E+06	6.72E+06	5.78E+06	6.2E+06	5.54E+06	5.73E+06	6.24E+06	7.79E+06	7.25E+06	6.79E+06	6.36E+06	7.86E+06
Etorphine	1.69E+04	2.6E+05	9.02E+04	3.68E+04	3.75E+03	1.69E+04	1.43E+05	1.32E+04	7.27E+05	2.62E+04	1.92E+03	1.01E+04	1.61E+04	2.26E+03	1.38E+05	3.26E+03	2.48E+05	3.08E+05	1.59E+04	3.17E+03	2.16E+04	7.55E+03	2.35E+03	2.8E+03	4.2E+05	7.56E+03	6.94E+03	1.71E+04	1.39E+04	2.57E+03	8.47E+03	2.34E+03	6.09E+03	2.04E+04	9.32E+04	1.45E+05	1.45E+03	1.72E+04	8.72E+04	3.28E+03	6.27E+03	5.68E+03	3.8E+05	1.06E+06	2.42E+03
Fagomine	4.61E+05	6.29E+05	5.7E+05	7.68E+05	5.24E+05	5.5E+05	4.99E+05	2.98E+05	6.21E+05	4.95E+05	3.65E+05	4.62E+05	5.33E+05	6.94E+05	5.77E+05	5.27E+05	7.8E+05	5.82E+05	4.75E+05	5.28E+05	4.6E+05	4.28E+05	4.01E+05	5.03E+05	5.36E+05	3.17E+05	1.89E+05	5.38E+05	4.59E+05	3.68E+05	3.79E+05	3.45E+05	6.33E+05	4.39E+05	6.46E+05	6.9E+05	4.24E+05	3.15E+05	6.99E+05	2.27E+05	7.53E+05	3.85E+05	6.26E+05	7.29E+05	4.31E+05
Fenamiphos	1.1E+06	1.23E+06	1.25E+06	1.48E+06	1.61E+06	1.28E+06	1E+06	1.34E+06	1.14E+06	1.34E+06	1.35E+06	1.35E+06	1.37E+06	1.3E+06	1.18E+06	1.17E+06	1.31E+06	1.07E+06	1.12E+06	1.28E+06	1.2E+06	1.19E+06	1.39E+06	1.11E+06	1.34E+06	9.85E+05	1.28E+06	1.52E+06	1.1E+06	9.67E+05	1.27E+06	1.07E+06	1.72E+06	1.34E+06	1.07E+06	1.14E+06	1.18E+06	1.36E+06	1.13E+06	8.43E+05	1.24E+06	1.23E+06	9.96E+05	1.47E+06	1.39E+06
Fenclorim	1.87E+06	2.21E+06	2.05E+06	2.12E+06	2.21E+06	2.09E+06	2.12E+06	2.12E+06	2.3E+06	2.3E+06	2.07E+06	1.97E+06	2.56E+06	2.36E+06	2.24E+06	2.34E+06	2.48E+06	1.96E+06	2.44E+06	2.07E+06	2.33E+06	2.41E+06	2.13E+06	2.12E+06	2.56E+06	2.37E+06	2.12E+06	2.36E+06	2.43E+06	2.27E+06	2.27E+06	2.21E+06	2.2E+06	2.32E+06	2.4E+06	2.28E+06	1.97E+06	1.7E+06	2.47E+06	2.36E+06	2.3E+06	1.62E+06	2.29E+06	2.07E+06	1.86E+06
Fructoselysine 6-phosphate	1.1E+08	1.28E+08	1.32E+08	1.41E+08	1.37E+08	1.41E+08	1.24E+08	1.14E+08	1.26E+08	1.45E+08	1.23E+08	1.55E+08	1.62E+08	1.75E+08	1.15E+08	1.31E+08	1.56E+08	1.47E+08	1.41E+08	1.35E+08	1.31E+08	1.38E+08	1.21E+08	1.23E+08	1.28E+08	1.07E+08	7.81E+07	1.45E+08	1.18E+08	1.16E+08	1.19E+08	1.24E+08	1.53E+08	1.29E+08	1.34E+08	1.4E+08	1.12E+08	1.18E+08	1.32E+08	1.15E+08	1.68E+08	1.17E+08	1.43E+08	1.56E+08	1.33E+08
Furmecyclox	5.45E+05	5.92E+05	5.93E+05	5.46E+05	5.07E+05	5.36E+05	5.81E+05	4.9E+05	6.44E+05	5.98E+05	7.65E+05	5.69E+05	5.78E+05	6.39E+05	5.57E+05	7.54E+05	6.99E+05	6.42E+05	5.22E+05	5.86E+05	5.77E+05	5.85E+05	5.83E+05	5.13E+05	6.16E+05	5.17E+05	7.02E+05	6.67E+05	6.9E+05	8.22E+05	7.54E+05	5.98E+05	6.23E+05	5.78E+05	6.52E+05	6.94E+05	7.55E+05	5.74E+05	6.64E+05	5.48E+05	6.67E+05	7E+05	6.17E+05	5.78E+05	5.42E+05
gamma-L-Glutamyl-D-alanine	2.03E+05	3.01E+05	3.75E+05	5.2E+05	4.09E+05	4.08E+05	2.67E+05	2.79E+05	3.87E+05	3.35E+05	3.32E+05	4.44E+05	4.73E+05	5.84E+05	2.67E+05	4.41E+05	4.09E+05	3.26E+05	2.45E+05	3.84E+05	4.1E+05	2.34E+05	2.59E+05	3.25E+05	2.96E+05	1.44E+05	9.28E+04	4.32E+05	2.11E+05	1.83E+05	1.51E+05	3.49E+05	4.12E+05	3.91E+05	3.46E+05	3.48E+05	3.33E+05	2.91E+05	3.03E+05	1.74E+05	6.2E+05	3.61E+05	2.81E+05	4.89E+05	3.3E+05
Gemfibrozil	4.77E+05	5.03E+05	4.67E+05	4.76E+05	4.56E+05	4.46E+05	4.3E+05	4.2E+05	4.26E+05	4.3E+05	4.15E+05	4.36E+05	4.37E+05	4.33E+05	4.43E+05	4.28E+05	4.43E+05	4.21E+05	4.23E+05	4.23E+05	4.1E+05	4.23E+05	4.26E+05	4.28E+05	4.28E+05	3.99E+05	4.29E+05	4.41E+05	4.64E+05	4.04E+05	4.13E+05	4.47E+05	4.47E+05	4.02E+05	4.25E+05	4.22E+05	4.11E+05	4.28E+05	4.23E+05	4.05E+05	4.08E+05	4.2E+05	4.3E+05	4.13E+05	4.25E+05
GLUCONIC ACID	2.92E+07	3E+07	2.92E+07	5.37E+07	3.16E+07	3.55E+07	3.27E+07	2.73E+07	3.5E+07	3.8E+07	2.78E+07	2.59E+07	4.3E+07	4.9E+07	3.33E+07	3.29E+07	3.36E+07	3.1E+07	3.64E+07	3.25E+07	4.19E+07	3.04E+07	1.92E+07	2.64E+07	3.14E+07	1.95E+07	9.49E+06	3.14E+07	3.01E+07	2.26E+07	1.9E+07	2.46E+07	2.78E+07	3.47E+07	2.58E+07	3.75E+07	2.53E+07	2.56E+07	3.02E+07	2.11E+07	3.99E+07	2.76E+07	3.23E+07	3.18E+07	3.09E+07
Glucose 6-phosphate/Fructose 6-phosphate	1.18E+06	1.1E+06	5.24E+05	1.39E+06	1.32E+06	1.07E+06	1.1E+06	1.58E+06	4.47E+05	1.28E+06	9.86E+05	1.42E+06	7.65E+05	1.02E+06	1.47E+06	1.28E+06	1.1E+06	1.27E+06	9.75E+05	1.38E+06	1.51E+06	6.84E+05	1.28E+06	1.19E+06	1.28E+06	5.85E+05	6.88E+05	1.22E+06	5.38E+05	9.52E+05	7.16E+05	9.53E+05	1.66E+06	1.48E+06	1.37E+06	1.03E+06	4.34E+05	1.09E+06	1.27E+06	8.36E+05	6.93E+05	1.12E+06	1E+06	5.35E+05	1.57E+06
Glucose/Fructose [M+Cl]-	1.77E+07	3.03E+07	4.33E+07	2.63E+07	2.54E+07	5.32E+07	4.56E+07	1.91E+07	4.03E+07	3.13E+07	4.03E+07	2.57E+07	3.8E+07	3.92E+07	2.85E+07	3.12E+07	2.69E+07	3E+07	3.98E+07	4.8E+07	2.64E+07	3.4E+07	2.5E+07	4.07E+07	1.87E+07	2.89E+07	1.82E+07	2.48E+07	5.81E+07	4.65E+07	2.27E+07	2.6E+07	3.28E+07	1.76E+07	3.01E+07	4.42E+07	3.55E+07	2.62E+07	2.56E+07	3.56E+07	4.37E+07	1.76E+07	4.34E+07	4.27E+07	4.65E+07
Glutamine	4.34E+07	5.64E+07	2.99E+07	8.33E+07	6.5E+07	2.52E+07	2.77E+07	5.03E+07	2.93E+07	5.5E+07	2.51E+07	5.24E+07	3.25E+07	3.01E+07	4.77E+07	3.88E+07	5.22E+07	5.19E+07	2.61E+07	3.95E+07	4.58E+07	1.91E+07	4.88E+07	3.66E+07	6.07E+07	1.05E+07	2.57E+07	4.49E+07	1.26E+07	1.89E+07	3.65E+07	2.94E+07	5.98E+07	5.56E+07	4.6E+07	3.55E+07	1.91E+07	3.71E+07	4.94E+07	1.94E+07	2.74E+07	3.5E+07	2.8E+07	2.63E+07	3.8E+07
Glycerophosphoglycerol	7.99E+06	1.27E+07	9.72E+06	1.28E+07	1.94E+07	1.36E+07	7.74E+06	7.69E+06	8.14E+06	1.36E+07	9.88E+06	1.21E+07	1.29E+07	1.83E+07	9.04E+06	1.25E+07	1.36E+07	1E+07	1.12E+07	1.2E+07	1.02E+07	9.59E+06	1.04E+07	1.17E+07	1.12E+07	6.52E+06	4.47E+06	1.46E+07	1.14E+07	9.17E+06	8.21E+06	7.41E+06	1.93E+07	9.47E+06	9.46E+06	8.66E+06	1.08E+07	7.62E+06	1.09E+07	5.63E+06	2.08E+07	8.1E+06	1.02E+07	1.35E+07	1.44E+07
Guanosine	8.96E+05	1.41E+06	1.02E+06	1.46E+06	1.66E+06	1.02E+06	1.29E+06	9.27E+05	1.21E+06	1.26E+06	1.28E+06	1.4E+06	1.09E+06	1.86E+06	1.45E+06	1.57E+06	1.77E+06	1.54E+06	1.12E+06	1.41E+06	1.21E+06	1.23E+06	1.21E+06	1.2E+06	1.22E+06	7.98E+05	7.23E+05	1.64E+06	1.57E+06	1.3E+06	1.55E+06	9.71E+05	2.45E+06	1.3E+06	1.53E+06	1.53E+06	1.14E+06	9.12E+05	1.4E+06	9.39E+05	1.96E+06	1E+06	1.39E+06	1.78E+06	1.71E+06
Hedamycin	2.89E+05	4.62E+05	3.95E+05	5.12E+05	5.51E+05	4.18E+05	3.88E+05	2.79E+05	2.64E+05	4.84E+05	4.78E+05	4.04E+05	5.2E+05	7.29E+05	5.16E+05	4.71E+05	5.02E+05	5.55E+05	4.13E+05	5.7E+05	4.36E+05	3.69E+05	4.13E+05	4.13E+05	4.46E+05	2.72E+05	1.74E+05	4.22E+05	4.18E+05	3.64E+05	3.95E+05	1.56E+05	7.69E+05	4.48E+05	5.83E+05	4.07E+05	3.64E+05	2.79E+05	5.15E+05	2.29E+05	7.32E+05	1.95E+05	4.36E+05	4.83E+05	5.49E+05
Hydroxyflutamide	9.08E+05	1.4E+06	9.81E+05	1.65E+06	1.29E+06	1.07E+06	1.08E+06	7.41E+05	1.22E+06	1.32E+06	9.57E+05	1.27E+06	1.1E+06	1.66E+06	1.23E+06	1.11E+06	1.54E+06	1.43E+06	1.23E+06	1.32E+06	1.02E+06	1.21E+06	9.7E+05	1.16E+06	1.27E+06	6.96E+05	5.51E+05	1.3E+06	1.21E+06	9.74E+05	1.06E+06	1.02E+06	1.53E+06	1.14E+06	1.45E+06	1.42E+06	9.21E+05	1.02E+06	1.32E+06	9.66E+05	1.67E+06	9.3E+05	1.39E+06	1.66E+06	1.17E+06
Hyoscyamine methylbromide	5.83E+05	8.47E+05	7.77E+05	1.2E+06	1.25E+06	1.2E+06	7.45E+05	7.41E+05	1.1E+06	9.28E+05	1.07E+06	9.8E+05	1.28E+06	1.46E+06	6.07E+05	8.81E+05	8.6E+05	7.57E+05	1.03E+06	1.17E+06	1.09E+06	8.25E+05	6.74E+05	8.99E+05	6.93E+05	6.1E+05	2.63E+05	9.68E+05	5.57E+05	5.33E+05	5.05E+05	6.61E+05	5.51E+05	1.23E+06	9.63E+05	7.75E+05	7.6E+05	7.42E+05	7.7E+05	5.59E+05	1.45E+06	6.03E+05	7.8E+05	1.2E+06	5.32E+05
Inosine	1.16E+06	1.89E+06	1.18E+06	2.48E+06	2.77E+06	1.26E+06	1.36E+06	1.49E+06	1.31E+06	1.73E+06	1.21E+06	2.21E+06	1.36E+06	1.77E+06	2.04E+06	2.85E+06	2.23E+06	2.01E+06	1.44E+06	1.84E+06	2.01E+06	1.63E+06	1.73E+06	1.67E+06	1.92E+06	8.74E+05	1.05E+06	2.61E+06	1.97E+06	1.77E+06	1.84E+06	1.18E+06	4.06E+06	2.19E+06	1.76E+06	1.97E+06	1.34E+06	1.11E+06	1.78E+06	1.15E+06	2.17E+06	1.28E+06	1.62E+06	2.05E+06	2.61E+06
Jamaicamide C	2.03E+05	2.08E+05	2.09E+05	3.37E+05	5.35E+05	4.3E+05	1.59E+05	3.45E+05	1.57E+05	4.33E+05	4.67E+05	5.02E+05	4.66E+05	7.38E+05	2.09E+05	4.93E+05	2.37E+05	2.45E+05	4.77E+05	5.4E+05	3.58E+05	4.03E+05	4.12E+05	4.46E+05	2.29E+05	2.97E+05	2E+05	4.6E+05	4.44E+05	3.96E+05	3.42E+05	3.65E+05	6.93E+05	4.98E+05	2.49E+05	2.42E+05	4.67E+05	3.5E+05	2.59E+05	2.78E+05	6.48E+05	3.68E+05	2.4E+05	2.52E+05	5.21E+05
L-2,3-Dihydrodipicolinate	7.33E+05	7.71E+05	7.52E+05	7.45E+05	7.59E+05	7.5E+05	7.35E+05	7.55E+05	7.5E+05	7.73E+05	7.16E+05	7.54E+05	7.4E+05	7.36E+05	7.19E+05	7.03E+05	7.02E+05	7.02E+05	7.25E+05	7.35E+05	7.04E+05	7.07E+05	7.28E+05	6.74E+05	6.74E+05	6.71E+05	6.78E+05	6.87E+05	6.93E+05	6.6E+05	6.36E+05	6.67E+05	6.61E+05	6.52E+05	6.63E+05	6.57E+05	6.31E+05	6.45E+05	6.7E+05	6.06E+05	6.69E+05	6.49E+05	6.47E+05	6.27E+05	6.53E+05
L-2-Aminoadipate	6.13E+05	8.97E+05	9.4E+05	1.29E+06	7.6E+05	8.35E+05	8.21E+05	4.99E+05	1.05E+06	9.62E+05	7E+05	6.14E+05	8.62E+05	1.12E+06	9.1E+05	5.67E+05	1.04E+06	9.23E+05	7.55E+05	6.67E+05	6.69E+05	7.6E+05	4.62E+05	7.08E+05	7.89E+05	3.93E+05	3.69E+05	7.7E+05	5.62E+05	5.6E+05	6.8E+05	5.47E+05	7.39E+05	7.38E+05	8.03E+05	8.58E+05	5.77E+05	4.99E+05	1.04E+06	4.78E+05	1.08E+06	5.85E+05	8.81E+05	9.86E+05	5.75E+05
Lactucin	1.12E+06	1.1E+06	1.22E+06	1.01E+06	1.18E+06	1.11E+06	1.14E+06	1.21E+06	1.21E+06	1.16E+06	1.31E+06	1.31E+06	1.27E+06	1.26E+06	1.29E+06	1.25E+06	1.26E+06	1.2E+06	1.36E+06	1.27E+06	1.37E+06	1.34E+06	1.3E+06	1.32E+06	1.23E+06	1.35E+06	1.44E+06	1.29E+06	1.29E+06	1.25E+06	1.33E+06	1.37E+06	1.17E+06	1.28E+06	1.31E+06	1.3E+06	1.29E+06	1.29E+06	1.34E+06	1.28E+06	1.17E+06	1.35E+06	1.27E+06	1.21E+06	1.22E+06
Lamiide	8.15E+05	1.15E+06	1.16E+06	1.55E+06	1.16E+06	1.14E+06	9.3E+05	9.18E+05	1.25E+06	1.15E+06	8.33E+05	1.25E+06	1.15E+06	1.51E+06	1.09E+06	1.19E+06	1.23E+06	1.19E+06	1.18E+06	1.18E+06	9.44E+05	1.07E+06	9.44E+05	1.25E+06	1.18E+06	8.38E+05	6.08E+05	1.23E+06	9.77E+05	9.82E+05	9.34E+05	9.89E+05	1.36E+06	1.2E+06	1.22E+06	1.15E+06	9E+05	1.11E+06	1.33E+06	8.54E+05	1.78E+06	1.05E+06	1.27E+06	1.75E+06	1.28E+06
L-Arginine phosphate	9.24E+06	5.72E+06	5.33E+06	8.96E+06	8.17E+06	7.58E+06	6.52E+06	3.97E+06	5.62E+06	8.37E+06	6.91E+06	5.66E+06	6E+06	7.12E+06	6.8E+06	5.95E+06	5.17E+06	6.13E+06	6.6E+06	6.71E+06	5.76E+06	5.2E+06	6.53E+06	6.52E+06	6.32E+06	4.84E+06	4.75E+06	5.31E+06	5.31E+06	6.08E+06	5.24E+06	5.72E+06	6.93E+06	5.49E+06	5.92E+06	4.6E+06	3.89E+06	6.05E+06	4.47E+06	3.3E+06	5.19E+06	6.05E+06	5.2E+06	3.87E+06	5.84E+06
L-Cladinose	1.13E+05	2.23E+05	2.16E+05	5.07E+05	1.48E+04	9.48E+04	2.57E+05	9.77E+04	2.7E+05	4E+04	9.97E+03	6.9E+04	9.11E+04	1.11E+04	2.46E+05	1.74E+04	2.59E+05	2.77E+05	8.69E+04	1.1E+04	7.1E+04	6.17E+04	1.38E+04	1.78E+04	3.71E+05	6.81E+04	1.68E+04	8.04E+04	2.27E+04	1.43E+04	1.99E+04	3.57E+04	1.65E+04	1.11E+05	1.64E+05	2.32E+05	1.13E+04	8.23E+04	2.4E+05	3.26E+04	1.48E+04	3.33E+04	3.52E+05	4.7E+05	1.13E+04
L-Glutamate	3.38E+07	5.71E+07	5.26E+07	6.72E+07	5.6E+07	5.27E+07	3.79E+07	4.49E+07	4.83E+07	4.85E+07	4.12E+07	4.68E+07	5.85E+07	5.39E+07	4.51E+07	4.67E+07	6.8E+07	4.8E+07	4.1E+07	4.69E+07	4.4E+07	4.68E+07	3.87E+07	3.8E+07	4.4E+07	2.62E+07	2.25E+07	5.88E+07	4.89E+07	3.49E+07	3.94E+07	3.71E+07	6.21E+07	4.07E+07	4.08E+07	4.01E+07	4.33E+07	3.12E+07	5.36E+07	3.06E+07	6.89E+07	4.07E+07	4.17E+07	4.73E+07	4.05E+07
L-Histidine	5.6E+07	7.21E+07	6.5E+07	8.9E+07	7.24E+07	6.97E+07	5.76E+07	4.44E+07	6.87E+07	7.75E+07	6.07E+07	6.58E+07	6.74E+07	7.66E+07	6.47E+07	6.03E+07	6.41E+07	6.34E+07	5.68E+07	6.86E+07	5.75E+07	5.72E+07	4.51E+07	6.25E+07	6.01E+07	4.14E+07	2.64E+07	6.62E+07	5.7E+07	5.06E+07	4.15E+07	4.28E+07	7.49E+07	6.06E+07	6.1E+07	5.03E+07	4.28E+07	5.13E+07	4.95E+07	3.78E+07	8.2E+07	4.72E+07	6.37E+07	6.27E+07	6.66E+07
Linoleate	1.24E+05	1.55E+05	5.48E+05	2.76E+05	9.82E+04	7.27E+04	1.72E+05	7.79E+04	1.5E+05	9.85E+04	8.48E+04	9.66E+04	7.77E+04	1.08E+05	3.14E+05	7.74E+04	1.49E+05	2.01E+05	6.95E+04	6.63E+04	6.7E+04	6.19E+04	7.31E+04	7.01E+04	3.06E+05	6.21E+04	1.15E+05	1.02E+05	9.74E+04	7.33E+04	8.09E+04	5.56E+04	4.25E+04	8.06E+04	1.95E+05	2.96E+05	3.51E+04	7.12E+04	2.14E+05	4.21E+04	5.33E+04	5.4E+04	3.54E+05	3.04E+05	4.01E+04
L-Methionine	4.7E+05	5.72E+05	4.52E+05	1.01E+06	6.69E+05	5.21E+05	4.99E+05	4.59E+05	5.73E+05	6.06E+05	4.86E+05	5.27E+05	5.42E+05	8.38E+05	6.1E+05	6.1E+05	7.47E+05	6.14E+05	4.73E+05	6.36E+05	4.55E+05	4.8E+05	5.19E+05	6.34E+05	6.76E+05	3.51E+05	2.94E+05	6.5E+05	5.42E+05	4.28E+05	3.71E+05	4.12E+05	1E+06	5.09E+05	5.29E+05	5.7E+05	4.36E+05	4.47E+05	7.81E+05	3.17E+05	8.14E+05	4.75E+05	6.32E+05	6.66E+05	8.24E+05
L-Methionine S-oxide	1.97E+06	2.28E+06	1.8E+06	2.48E+06	2.72E+06	2.07E+06	2.34E+06	1.97E+06	2.76E+06	2.05E+06	2.32E+06	1.99E+06	1.82E+06	1.98E+06	2.5E+06	2.34E+06	1.8E+06	1.95E+06	2.06E+06	2.2E+06	1.99E+06	1.88E+06	2.05E+06	2.11E+06	1.94E+06	2.01E+06	1.61E+06	1.88E+06	1.73E+06	2.09E+06	1.6E+06	1.7E+06	2.23E+06	2.02E+06	2.12E+06	2.25E+06	2.02E+06	1.9E+06	1.91E+06	1.38E+06	2.04E+06	2.12E+06	2E+06	2.17E+06	2.34E+06
L-Phenylalanine	6.44E+05	1.15E+06	1.1E+06	1.83E+06	1.39E+06	1.06E+06	8.95E+05	7.26E+05	1.18E+06	1.17E+06	1.03E+06	1.09E+06	1.24E+06	1.56E+06	1.2E+06	1.11E+06	1.25E+06	1.12E+06	8.67E+05	1.3E+06	8.21E+05	9.5E+05	7.59E+05	9.79E+05	1.16E+06	6.8E+05	3.48E+05	1.18E+06	8.67E+05	8.18E+05	5.62E+05	8.06E+05	1.64E+06	1.09E+06	1.03E+06	1.19E+06	8.86E+05	7.41E+05	1.34E+06	5.83E+05	1.68E+06	9.33E+05	1.14E+06	1.43E+06	1.27E+06
L-Tryptophan	1.49E+06	2.43E+06	2.08E+06	3.05E+06	2.54E+06	2.53E+06	2E+06	1.54E+06	2.16E+06	2.75E+06	1.97E+06	2.43E+06	2.46E+06	3.98E+06	2.68E+06	2.82E+06	2.83E+06	2.73E+06	2.42E+06	2.57E+06	2.06E+06	2.23E+06	1.85E+06	2.35E+06	2.52E+06	1.39E+06	8.99E+05	2.9E+06	2.38E+06	1.74E+06	1.76E+06	1.88E+06	3.68E+06	2.17E+06	2.52E+06	2.43E+06	1.83E+06	1.83E+06	2.49E+06	1.69E+06	3.71E+06	1.67E+06	2.55E+06	3.05E+06	2.99E+06
L-TYROSINE	9.98E+05	1.62E+06	1.47E+06	2.21E+06	1.68E+06	1.52E+06	1.41E+06	1.05E+06	1.44E+06	1.77E+06	1.29E+06	1.78E+06	1.87E+06	2.13E+06	1.63E+06	1.49E+06	1.98E+06	1.67E+06	1.32E+06	1.63E+06	1.55E+06	1.47E+06	1.09E+06	1.37E+06	1.67E+06	9.52E+05	5.79E+05	1.75E+06	1.4E+06	1.15E+06	1.14E+06	1.25E+06	2.02E+06	1.67E+06	1.71E+06	1.71E+06	1.06E+06	1.11E+06	1.8E+06	9.93E+05	2.18E+06	1.16E+06	1.68E+06	2.1E+06	1.72E+06
L-Tyrosine methyl ester	5.88E+06	5.99E+06	6.04E+06	5.95E+06	6E+06	6.04E+06	6.02E+06	6.36E+06	6.36E+06	6.63E+06	6.29E+06	6.45E+06	6.62E+06	6.32E+06	6.6E+06	6.69E+06	6.74E+06	6.44E+06	6.79E+06	6.79E+06	6.52E+06	6.51E+06	6.31E+06	6.5E+06	6.57E+06	6.3E+06	5.98E+06	6.19E+06	6.23E+06	6.28E+06	6.29E+06	6.21E+06	6.55E+06	6.14E+06	6.08E+06	6.23E+06	6.08E+06	6.24E+06	6.15E+06	6.14E+06	6.42E+06	5.8E+06	6.18E+06	5.83E+06	5.9E+06
L-Tyrosine methyl ester 4-sulfate	8.48E+05	1.82E+06	8.64E+05	1.77E+06	2.22E+06	1.97E+06	8.35E+05	1.29E+06	1.37E+06	1.42E+06	1.74E+06	1.56E+06	1.37E+06	2.89E+06	1.22E+06	1.37E+06	1.19E+06	1.03E+06	8.13E+05	1.35E+06	5.34E+05	1.13E+06	8.29E+05	1.05E+06	7.09E+05	6.1E+05	2.56E+05	1.32E+06	8.88E+05	8.29E+05	5.42E+05	6.83E+05	1.57E+06	1.02E+06	7.2E+05	8.25E+05	6.6E+05	5.85E+05	6.01E+05	6.27E+05	2.03E+06	8.93E+05	7.64E+05	1.29E+06	1.43E+06
Lysine	1.99E+05	3.38E+05	3.63E+05	4.68E+05	3.86E+05	3.05E+05	2.84E+05	2.34E+05	3.01E+05	4.12E+05	2.43E+05	3.64E+05	4.08E+05	5.05E+05	3.7E+05	3.23E+05	3.9E+05	3.72E+05	3.36E+05	3.68E+05	3.26E+05	3.29E+05	2.32E+05	2.51E+05	3.35E+05	2.05E+05	1.24E+05	4.33E+05	2.33E+05	2.13E+05	2.1E+05	2.22E+05	4.19E+05	3.25E+05	3.23E+05	3.47E+05	2.4E+05	1.93E+05	3.67E+05	1.78E+05	4.92E+05	2.66E+05	3.42E+05	4.78E+05	4.41E+05
Malaoxon	2.33E+05	2.65E+05	5.06E+05	2.71E+05	2.61E+05	4.41E+05	3.93E+05	2.24E+05	4.13E+05	2.52E+05	4.21E+05	3.55E+05	4.89E+05	5.05E+05	3.22E+05	3.8E+05	2.95E+05	4.08E+05	4.42E+05	3.76E+05	4.1E+05	4.44E+05	2.01E+05	3.88E+05	2.36E+05	4.03E+05	1.11E+05	3.17E+05	3.67E+05	3.63E+05	1.93E+05	4.28E+05	2.5E+05	3.2E+05	3.94E+05	4.01E+05	4.24E+05	3.8E+05	2.77E+05	3.9E+05	4.07E+05	3.88E+05	3.89E+05	3.85E+05	3.9E+05
Mannitol	9.99E+05	1.08E+06	1.81E+06	6.44E+05	9.66E+05	1.38E+06	1.17E+06	6.01E+05	2.02E+06	9.1E+05	1.35E+06	1.06E+06	1.84E+06	1.66E+06	6.44E+05	1.56E+06	1.06E+06	7.43E+05	1.08E+06	1.7E+06	6.94E+05	1.37E+06	8.98E+05	1.31E+06	5.38E+05	1.56E+06	1.04E+06	8.63E+05	2.49E+06	9.47E+05	1.18E+06	8.39E+05	8.15E+05	5.51E+05	7.84E+05	1.28E+06	2.07E+06	7.51E+05	6.13E+05	9.74E+05	2.34E+06	6.7E+05	9.26E+05	2.04E+06	1.29E+06
Melampodinin	9.98E+05	2.28E+06	1.64E+06	3.09E+06	2.26E+06	2.21E+06	1.39E+06	1.06E+06	1.47E+06	2.37E+06	1.54E+06	2.23E+06	2.4E+06	2.85E+06	1.73E+06	1.95E+06	2.65E+06	2.06E+06	1.73E+06	1.97E+06	1.76E+06	1.73E+06	1E+06	1.64E+06	1.73E+06	7.56E+05	3.08E+05	2.48E+06	1.35E+06	1.08E+06	1.14E+06	1.24E+06	3.24E+06	1.87E+06	2.02E+06	2.03E+06	1.15E+06	1.17E+06	1.95E+06	8.6E+05	3.57E+06	1.32E+06	1.82E+06	3.1E+06	1.83E+06
Mercury(2+)_1	1.18E+06	1.21E+06	1.08E+06	1.02E+06	1.13E+06	1.24E+06	1.08E+06	1.11E+06	1.19E+06	1.11E+06	1.05E+06	1.06E+06	1.16E+06	1.02E+06	1.13E+06	1.19E+06	9.93E+05	1.02E+06	1.02E+06	1.13E+06	1.1E+06	1.27E+06	1.06E+06	1.06E+06	1.06E+06	1.2E+06	1.16E+06	1.17E+06	1.14E+06	1.09E+06	1.02E+06	1.21E+06	1.01E+06	1.16E+06	1.05E+06	1.12E+06	1.12E+06	1.09E+06	1.14E+06	1.16E+06	1.13E+06	1.16E+06	1.18E+06	1.08E+06	1.1E+06
Mercury(2+)_2	1.06E+06	1.05E+06	1.12E+06	1.1E+06	1.1E+06	1.2E+06	1.08E+06	1.06E+06	1.07E+06	1.11E+06	1.16E+06	1.08E+06	1.15E+06	1.06E+06	1.15E+06	1.13E+06	1.05E+06	1.08E+06	1.06E+06	1.17E+06	1.08E+06	1.13E+06	1.15E+06	1.13E+06	1.08E+06	1.06E+06	1.03E+06	1.09E+06	1.03E+06	1.07E+06	1.06E+06	1.05E+06	1.06E+06	1.06E+06	1.04E+06	1.04E+06	1.06E+06	1.07E+06	1.08E+06	1.06E+06	1.11E+06	1.05E+06	1.13E+06	1.07E+06	1.02E+06
Mercury(2+)_3	1.06E+06	1.05E+06	1.12E+06	1.1E+06	1.12E+06	1.2E+06	1.08E+06	1.1E+06	1.04E+06	1.11E+06	1.06E+06	1.08E+06	1.12E+06	1.1E+06	1.15E+06	1.13E+06	1.16E+06	1.08E+06	1.14E+06	1.17E+06	1.11E+06	1.15E+06	1.15E+06	1.13E+06	1.08E+06	1.05E+06	1.03E+06	1.09E+06	1.05E+06	1.03E+06	1.06E+06	1.05E+06	1.06E+06	1.06E+06	1.04E+06	1.04E+06	1.06E+06	1.07E+06	1.08E+06	1.06E+06	1.11E+06	1.05E+06	1.13E+06	1.06E+06	1.06E+06
Mercury(2+)_4	1.06E+06	1.02E+06	1.12E+06	1.1E+06	1.1E+06	1.2E+06	1.08E+06	1E+06	1E+06	1.11E+06	1E+06	1.08E+06	1.15E+06	1.06E+06	1.11E+06	1.13E+06	1.05E+06	1.08E+06	1.06E+06	1.17E+06	1.08E+06	1.13E+06	1.15E+06	1.13E+06	1.08E+06	9.9E+05	1.03E+06	1.09E+06	1.03E+06	1.07E+06	1.06E+06	1.05E+06	1.06E+06	9.72E+05	9.83E+05	1.06E+06	1.06E+06	1.07E+06	1.08E+06	9.61E+05	1.11E+06	1.05E+06	1.13E+06	1.07E+06	1.02E+06
Mercury(2+)_5	1.02E+06	1.03E+06	1.07E+06	1.06E+06	1.12E+06	1.08E+06	1.08E+06	1.06E+06	1.05E+06	1.07E+06	1.03E+06	1.08E+06	1.14E+06	1.08E+06	1.15E+06	1.07E+06	1.11E+06	1.06E+06	1.14E+06	1.15E+06	1.14E+06	1.1E+06	1.15E+06	1.13E+06	1.08E+06	1.05E+06	1.03E+06	1.07E+06	1.05E+06	1.06E+06	1.06E+06	1.05E+06	1.06E+06	1.06E+06	1.03E+06	1.04E+06	1.03E+06	1.07E+06	1.06E+06	1.06E+06	1.11E+06	1.05E+06	1.06E+06	1.06E+06	1.02E+06
MYO-INOSITOL	6.99E+06	1.31E+07	9.93E+06	1.72E+07	1.53E+07	1.22E+07	9.93E+06	7.62E+06	1.08E+07	1.39E+07	1.03E+07	1.24E+07	1.24E+07	1.79E+07	1.17E+07	1.24E+07	1.33E+07	1.19E+07	1.07E+07	1.34E+07	1.1E+07	1.05E+07	6.72E+06	1.03E+07	1.05E+07	5.98E+06	2.96E+06	1.41E+07	1E+07	8.14E+06	6.66E+06	8.16E+06	1.67E+07	1.16E+07	1.15E+07	1.04E+07	7.29E+06	7.44E+06	1.03E+07	5.88E+06	1.84E+07	8.95E+06	1.26E+07	1.51E+07	1.15E+07
N-Acetyl-D-glucosamine 6-phosphate	3.72E+05	5.55E+05	5.53E+05	7.23E+05	5.97E+05	5.35E+05	4.73E+05	4.23E+05	5.75E+05	5.74E+05	5.81E+05	6.05E+05	6.26E+05	7.2E+05	6.55E+05	5.68E+05	6.34E+05	5.95E+05	5.03E+05	6.59E+05	4.65E+05	4.98E+05	4.91E+05	5.55E+05	6.2E+05	4.07E+05	2.06E+05	6.41E+05	5.43E+05	4.66E+05	3.65E+05	4.94E+05	7.87E+05	5.69E+05	6.06E+05	6.47E+05	4.76E+05	4.53E+05	7.11E+05	3.53E+05	8.55E+05	5.51E+05	5.97E+05	7.41E+05	7.1E+05
N-ACETYL-D-MANNOSAMINE	3.85E+05	3.46E+05	3.76E+05	4.27E+05	4.8E+05	3.48E+05	4.61E+05	2.4E+05	3.06E+05	3.82E+05	4.58E+05	3.21E+05	3.59E+05	5.24E+05	4.16E+05	3.93E+05	4.82E+05	5.52E+05	5.15E+05	4.43E+05	4.98E+05	4.43E+05	3.78E+05	3.91E+05	4.93E+05	3.31E+05	2.22E+05	4.03E+05	2.76E+05	4.24E+05	4.79E+05	3.5E+05	3.77E+05	2.86E+05	5.34E+05	5.53E+05	2.43E+05	4.22E+05	4.66E+05	2.37E+05	5.09E+05	2.49E+05	4.19E+05	3.79E+05	3.3E+05
N-Acetyl-D-tryptophan	3.61E+05	4.7E+05	4.22E+05	9.05E+05	1.02E+05	2.09E+05	5.1E+05	3.65E+05	5.08E+05	9.88E+04	7.55E+03	1.05E+05	2.76E+05	1.19E+05	6.61E+05	1E+05	9.81E+05	7.7E+05	1.16E+05	9.57E+04	2.67E+05	8.07E+04	7.35E+04	7.58E+04	9.28E+05	1.79E+05	4.33E+04	1.11E+05	8.36E+04	6.41E+04	8.4E+04	6.46E+04	1.41E+05	6.25E+05	3.87E+05	6.98E+05	6.16E+03	1.75E+05	5.61E+05	6.78E+04	1.17E+05	7.25E+04	9.82E+05	8.28E+05	1.2E+05
N-Acetyl-L-aspartate	7.24E+05	9.02E+05	8E+05	8.54E+05	9.55E+05	7.92E+05	7.03E+05	5.84E+05	8.31E+05	1.59E+06	7.85E+05	8.33E+05	1.47E+06	1.42E+06	1.45E+06	7.69E+05	8.32E+05	1.17E+06	1E+06	8.58E+05	6.65E+05	1.11E+06	6.39E+05	7.98E+05	1.25E+06	4.81E+05	5.09E+05	1.17E+06	9.46E+05	8.7E+05	1.04E+06	9.96E+05	1.51E+06	1.21E+06	9.72E+05	9.82E+05	5.2E+05	7.32E+05	8.94E+05	7.21E+05	1.1E+06	8.85E+05	1.23E+06	8.9E+05	1.46E+06
N-Acetyl-L-glutamate	7.47E+05	1.12E+06	8.37E+05	1.15E+06	1.01E+06	8.98E+05	7.08E+05	7.77E+05	7.69E+05	1.36E+06	6.09E+05	9.76E+05	1.42E+06	1.18E+06	1.04E+06	8.61E+05	1.16E+06	1.02E+06	9.69E+05	9.49E+05	8.89E+05	1.06E+06	6.09E+05	7.86E+05	1.08E+06	5.65E+05	4.06E+05	1.23E+06	8.92E+05	5.96E+05	7.72E+05	7.03E+05	1.4E+06	1.13E+06	8.62E+05	8.53E+05	5.7E+05	6.8E+05	9.39E+05	6.16E+05	1.11E+06	7.73E+05	1.03E+06	9.02E+05	1.07E+06
N-Acetyl-L-leucine	2.09E+05	3.15E+05	4.4E+05	6.36E+05	4.96E+05	4.75E+05	4.59E+05	2.93E+05	3.9E+05	5.68E+05	3.19E+05	4.43E+05	5.37E+05	5.48E+05	4.72E+05	3.67E+05	6.69E+05	4.62E+05	3.32E+05	5.36E+05	3.73E+05	3.65E+05	2.7E+05	3.93E+05	5.49E+05	2.36E+05	1.18E+05	3.84E+05	4.45E+05	3.4E+05	1.63E+05	2.86E+05	6.85E+05	4.31E+05	4.22E+05	4.3E+05	2.93E+05	2.56E+05	3.54E+05	2.69E+05	6.5E+05	2.97E+05	4.91E+05	4.83E+05	6E+05
N-Acetylornithine	3.85E+05	3.18E+05	3.46E+05	9.32E+05	8.84E+05	5.5E+05	6.15E+05	4.1E+05	2.23E+05	1.06E+06	5.78E+05	4.31E+05	6.76E+05	5.94E+05	5.11E+05	6.39E+05	6.12E+05	3.81E+05	8.81E+05	6.13E+05	9.22E+05	5.83E+05	6.16E+05	6.08E+05	5.37E+05	3.91E+05	1.47E+05	7.24E+05	5.43E+05	2.57E+05	3.87E+05	4.68E+05	7.98E+05	6.16E+05	4.24E+05	3.73E+05	2.86E+05	3.68E+05	4.44E+05	2.51E+05	7.89E+05	6.29E+05	3.97E+05	4.38E+05	5.2E+05
N-Glycolyl-D-mannosamine 6-phosphate	8.76E+05	1.18E+06	1.15E+06	1.45E+06	1.18E+06	1.15E+06	1.1E+06	8.75E+05	1.12E+06	1.21E+06	1.02E+06	1.2E+06	1.24E+06	1.36E+06	1.23E+06	1.13E+06	1.32E+06	1.23E+06	1.07E+06	1.2E+06	1.15E+06	1.05E+06	8.97E+05	1.07E+06	1.21E+06	8.14E+05	5.43E+05	1.25E+06	1.11E+06	9.68E+05	9.51E+05	1.01E+06	1.37E+06	1.2E+06	1.22E+06	1.26E+06	9.24E+05	8.99E+05	1.28E+06	8.71E+05	1.34E+06	9.87E+05	1.24E+06	1.35E+06	1.29E+06
Nidificene	4.77E+05	5.89E+05	4.98E+05	5.15E+05	5.4E+05	4.93E+05	4.3E+05	4.67E+05	4.96E+05	4.66E+05	4.07E+05	4.12E+05	4.24E+05	4.08E+05	4.33E+05	4.02E+05	4.45E+05	3.83E+05	3.82E+05	3.89E+05	3.75E+05	3.82E+05	3.24E+05	3.47E+05	3.01E+05	3.02E+05	2.92E+05	3.31E+05	3.04E+05	3.12E+05	2.86E+05	2.67E+05	3.28E+05	3.17E+05	3.16E+05	3.31E+05	2.79E+05	3.13E+05	3.43E+05	3.45E+05	3.22E+05	3.29E+05	3.22E+05	3.29E+05	3.46E+05
N-Methylhexanamide	1.33E+05	2.06E+05	1.89E+05	1.78E+05	2.96E+03	1.19E+05	4.91E+05	1.99E+05	3.02E+05	2.69E+04	3.05E+03	6.15E+04	1.1E+05	0	3.02E+05	0	7.41E+05	3.9E+05	8.58E+04	0	1.86E+05	6.64E+03	0	0	6.06E+05	1.46E+05	0	4.49E+04	0	0	0	8.95E+04	0	1.97E+05	1.24E+05	2.7E+05	0	9.92E+04	1.55E+05	1.67E+04	0	7.26E+04	3.06E+05	2.06E+05	0
Oxalureate	4.95E+05	4.21E+05	4.71E+05	5.19E+05	4.06E+05	3.17E+05	5.84E+05	3.25E+05	4.14E+05	5.25E+05	5.27E+05	3.01E+05	4.73E+05	5.4E+05	4.32E+05	3.33E+05	4.97E+05	3.94E+05	3.41E+05	4.93E+05	3.46E+05	3.25E+05	4.03E+05	3.37E+05	3.21E+05	2.88E+05	3E+05	4.12E+05	4.01E+05	3.53E+05	5.06E+05	3.1E+05	3.46E+05	4.58E+05	3.27E+05	4.05E+05	2.91E+05	3.66E+05	3.53E+05	2.31E+05	6.38E+05	2.63E+05	4.39E+05	4.86E+05	4.89E+05
Phosphoramide mustard	7.58E+05	7.53E+05	8.58E+05	8.12E+05	7.02E+05	8.38E+05	8.06E+05	8.08E+05	8.34E+05	8.19E+05	8.49E+05	8.39E+05	9.17E+05	8.73E+05	8.26E+05	8.5E+05	7.99E+05	8.61E+05	8.68E+05	8.25E+05	8.91E+05	9.25E+05	8E+05	9E+05	8.08E+05	8.43E+05	7.3E+05	8.65E+05	8.25E+05	8.85E+05	7.57E+05	8.99E+05	7.53E+05	8.61E+05	7.96E+05	8.23E+05	8.27E+05	9.07E+05	8.01E+05	7.99E+05	8.96E+05	8.77E+05	8.25E+05	8.04E+05	8.53E+05
Phytuberin	4.39E+06	4.5E+06	4.52E+06	4.47E+06	4.55E+06	4.64E+06	4.51E+06	4.57E+06	4.38E+06	4.65E+06	4.82E+06	4.8E+06	4.93E+06	4.89E+06	4.78E+06	4.88E+06	4.98E+06	4.94E+06	4.93E+06	4.96E+06	4.92E+06	4.91E+06	4.7E+06	5.02E+06	4.7E+06	4.85E+06	4.82E+06	4.93E+06	4.53E+06	4.76E+06	4.69E+06	4.75E+06	4.78E+06	4.57E+06	4.88E+06	4.65E+06	4.77E+06	4.69E+06	4.71E+06	4.51E+06	4.54E+06	4.74E+06	4.36E+06	4.72E+06	4.71E+06
Plocamene D	7.66E+05	1.16E+06	1.5E+06	1.36E+06	1.22E+06	1.35E+06	1.05E+06	1.12E+06	1.33E+06	1.35E+06	1.35E+06	1.29E+06	1.97E+06	1.43E+06	1.44E+06	1.68E+06	1.37E+06	1.3E+06	1.17E+06	1.41E+06	1.55E+06	1.36E+06	1.04E+06	1.25E+06	1.18E+06	9.52E+05	7.45E+05	1.62E+06	1.44E+06	1.09E+06	8.91E+05	1.12E+06	1.53E+06	1.5E+06	1.27E+06	1.44E+06	1.37E+06	1.02E+06	1.15E+06	1.18E+06	1.61E+06	1.15E+06	1.27E+06	1.54E+06	1.44E+06
Proline	2.58E+05	4.86E+05	4.52E+05	7.28E+05	6.73E+05	5.86E+05	4.69E+05	3.89E+05	4.69E+05	6.72E+05	5.11E+05	6.7E+05	7.4E+05	9.21E+05	5.87E+05	6.83E+05	7.37E+05	7.13E+05	6.35E+05	8.4E+05	6.92E+05	5.71E+05	4.01E+05	6.11E+05	6.45E+05	3.57E+05	1.42E+05	8.3E+05	5.62E+05	4.37E+05	3.82E+05	4.79E+05	9.05E+05	7.41E+05	7.04E+05	6.24E+05	4.29E+05	4.33E+05	6.13E+05	3.63E+05	1.05E+06	5.41E+05	6.4E+05	8.15E+05	6.09E+05
Pyridafenthion	5.47E+05	8.33E+05	7.04E+05	9.28E+05	7.99E+05	8.13E+05	7.44E+05	5.78E+05	7.66E+05	8.48E+05	7.13E+05	8.44E+05	8.21E+05	1.12E+06	8.46E+05	8.89E+05	9.25E+05	8.99E+05	7.67E+05	9.19E+05	7.58E+05	7.61E+05	6.25E+05	8.23E+05	8.26E+05	5.61E+05	3.91E+05	9.55E+05	8.66E+05	6.65E+05	6.54E+05	6.59E+05	1.07E+06	7.61E+05	8.53E+05	8.74E+05	6.84E+05	6.57E+05	9.1E+05	5.95E+05	1.07E+06	6.52E+05	8.5E+05	9.54E+05	9.24E+05
Quinolinate	6.71E+05	1.2E+06	8.91E+05	1.23E+06	8.77E+05	1.15E+06	1E+06	6.6E+05	1.08E+06	1.13E+06	7.01E+05	7.54E+05	1.07E+06	8.93E+05	1.21E+06	6.8E+05	1.32E+06	1.07E+06	8.08E+05	7.01E+05	6.03E+05	8.86E+05	4.85E+05	7.26E+05	1.06E+06	5.22E+05	2.57E+05	8.4E+05	1.02E+06	6.16E+05	6.54E+05	6.06E+05	1.37E+06	8.72E+05	1.05E+06	9.72E+05	5.64E+05	6.33E+05	9.3E+05	5.42E+05	8.96E+05	6.77E+05	1.07E+06	1.4E+06	1.01E+06
Quizalofop-ethyl	3.41E+05	3.42E+04	2.18E+04	5.55E+05	1.66E+05	1.99E+04	3.04E+05	2.32E+04	2.34E+04	4.61E+04	3.17E+05	5.16E+04	4.53E+05	2.42E+05	1.91E+05	5E+04	5.49E+05	6.28E+05	1.96E+04	1.31E+05	2.15E+05	2.13E+04	1.79E+05	8.32E+04	3.91E+05	1.7E+04	4.52E+05	4.93E+05	5.3E+04	5.32E+05	1.14E+06	2.73E+04	6.2E+04	4.08E+04	4.68E+05	5.08E+05	2.42E+04	3.89E+05	4.2E+05	3.72E+04	4.51E+05	2.06E+04	4.46E+04	4.6E+04	3.67E+05
Rishitin	5.44E+06	5.38E+06	5.3E+06	5.31E+06	5.56E+06	5.48E+06	5.63E+06	5.54E+06	5.5E+06	5.62E+06	5.23E+06	5.58E+06	5.39E+06	5.58E+06	5.48E+06	5.5E+06	5.49E+06	5.37E+06	5.35E+06	5.48E+06	5.16E+06	4.94E+06	4.81E+06	5.03E+06	5.01E+06	5.07E+06	4.71E+06	4.92E+06	5E+06	4.98E+06	4.82E+06	4.71E+06	4.96E+06	4.7E+06	4.62E+06	4.71E+06	4.68E+06	4.67E+06	4.83E+06	4.61E+06	4.69E+06	4.72E+06	4.67E+06	4.91E+06	4.52E+06
Salannin	3.89E+06	4.56E+06	1.27E+06	4.59E+06	2.99E+06	7.01E+05	1.64E+06	1.63E+06	1.41E+06	2.64E+06	1.17E+06	2.23E+06	8.99E+05	1.41E+06	5.66E+06	1.99E+06	3.68E+06	4.42E+06	8.11E+05	1.81E+06	1.65E+06	8.43E+05	1.68E+06	1.25E+06	4.88E+06	6.85E+05	1.16E+06	2.91E+06	8.08E+05	1.4E+06	1.91E+06	7.25E+05	3.18E+06	2.25E+06	3.97E+06	2.11E+06	2.52E+05	1.28E+06	3.48E+06	5.2E+05	1.1E+06	1.01E+06	2.2E+06	2.42E+06	1.16E+06
Sepiapterin	4.73E+05	5.96E+05	4.62E+05	8.84E+05	9.49E+05	5.86E+05	5.37E+05	4.45E+05	5.72E+05	7.18E+05	5.77E+05	6.25E+05	7.03E+05	8.68E+05	6.05E+05	6.5E+05	6.52E+05	6.11E+05	6.34E+05	6.87E+05	6.56E+05	6.51E+05	4.55E+05	5.74E+05	5.62E+05	3.63E+05	2E+05	7.67E+05	1.02E+06	4.66E+05	4.14E+05	5.17E+05	8.94E+05	6.37E+05	6.26E+05	5.89E+05	4E+05	5.16E+05	6.46E+05	4.02E+05	9.02E+05	5.47E+05	6.4E+05	7.4E+05	8.4E+05
sn-Glycero-3-phospho-1-inositol	2.23E+07	3.09E+07	2.69E+07	3.87E+07	3.53E+07	3.34E+07	2.47E+07	2.45E+07	2.99E+07	3.15E+07	2.73E+07	2.94E+07	3.12E+07	3.25E+07	2.49E+07	3.05E+07	3.37E+07	2.72E+07	2.55E+07	2.61E+07	2.39E+07	2.46E+07	2.13E+07	2.51E+07	2.66E+07	1.96E+07	1.16E+07	2.97E+07	2.39E+07	2.03E+07	2.06E+07	1.96E+07	3.9E+07	3.08E+07	2.64E+07	2.49E+07	2.33E+07	2.31E+07	2.9E+07	1.54E+07	3.88E+07	2.38E+07	2.79E+07	3.17E+07	3.02E+07
sn-Glycero-3-phosphoethanolamine_1	4.42E+06	5.54E+06	5.75E+06	6.08E+06	6.39E+06	5.03E+06	4.24E+06	4.84E+06	4.98E+06	5.28E+06	4.94E+06	4.96E+06	5.09E+06	5.07E+06	4.54E+06	4.64E+06	5.62E+06	5.04E+06	4.04E+06	4.81E+06	4.71E+06	3.98E+06	4.53E+06	4.65E+06	5.37E+06	3.56E+06	3.34E+06	4.98E+06	3.66E+06	4.09E+06	4.32E+06	3.8E+06	6.43E+06	4.91E+06	4.84E+06	4.8E+06	4.15E+06	4.76E+06	4.93E+06	3.81E+06	5.94E+06	4.01E+06	4.47E+06	4.93E+06	5.14E+06
sn-Glycero-3-phosphoethanolamine_2	1.11E+06	1.17E+06	1.13E+06	1.12E+06	1.17E+06	1.19E+06	1.18E+06	1.3E+06	1.22E+06	1.22E+06	1.15E+06	1.22E+06	1.16E+06	1.2E+06	1.24E+06	1.15E+06	1.17E+06	1.19E+06	1.24E+06	1.28E+06	1.14E+06	1.15E+06	1.16E+06	1.16E+06	1.04E+06	1.06E+06	1.1E+06	1.15E+06	1.05E+06	1.15E+06	1.07E+06	1.04E+06	1.12E+06	1.06E+06	1.06E+06	1.02E+06	1.02E+06	1.08E+06	1.1E+06	1.03E+06	1.09E+06	1.04E+06	1.05E+06	1.02E+06	1.05E+06
sn-Glycerol 3-phosphate	4.2E+07	7E+07	5.15E+07	6.16E+07	5.78E+07	5.43E+07	4.1E+07	4.7E+07	4.87E+07	5.7E+07	3.8E+07	4.31E+07	6.31E+07	5.48E+07	4.09E+07	4.97E+07	6.32E+07	4.61E+07	4.14E+07	4.08E+07	4.93E+07	4.48E+07	3.42E+07	3.87E+07	4.97E+07	3.4E+07	2.83E+07	5.82E+07	3.57E+07	2.9E+07	4.99E+07	3.9E+07	5.5E+07	3.72E+07	4.58E+07	4.19E+07	3.67E+07	2.97E+07	5.63E+07	2.87E+07	6.29E+07	3.84E+07	4.79E+07	5.17E+07	3.99E+07
Sodium citrate	3.79E+05	3.78E+05	4.92E+05	3.89E+05	4.14E+05	4.96E+05	4.65E+05	4.09E+05	5.1E+05	4.58E+05	4.67E+05	5.25E+05	4.88E+05	5.48E+05	4.38E+05	4.54E+05	4.1E+05	4.39E+05	5.19E+05	4.85E+05	4.84E+05	4.85E+05	4.16E+05	4.72E+05	3.84E+05	4.62E+05	4.05E+05	4.62E+05	4.56E+05	4.38E+05	3.74E+05	4.74E+05	3.97E+05	4.68E+05	4.88E+05	4.82E+05	4.55E+05	4.62E+05	4.13E+05	5.02E+05	4.92E+05	4.9E+05	5.18E+05	4.76E+05	4.42E+05
Suberic acid	3.54E+05	6.47E+05	6.91E+05	1.31E+06	2.48E+05	4.41E+05	5.91E+05	3.36E+05	5.46E+05	2.84E+05	2.24E+05	3.05E+05	4.33E+05	2.22E+05	8.02E+05	2.42E+05	6.09E+05	8.5E+05	3.67E+05	2.7E+05	5.46E+05	2.72E+05	2.7E+05	2.85E+05	8.42E+05	3.22E+05	2.26E+05	4.2E+05	2.6E+05	3.23E+05	2.2E+05	2.38E+05	5.36E+05	4.66E+05	5.81E+05	5.88E+05	2.14E+05	4.58E+05	8.32E+05	2.2E+05	2.39E+05	2.09E+05	7E+05	1.13E+06	2E+05
Succinate	2.78E+06	7.04E+06	2.18E+06	3.88E+06	2.22E+06	1.67E+06	2.69E+06	3.01E+06	1.94E+06	2.19E+06	1.9E+06	1.33E+06	2.98E+06	3.39E+06	3.46E+06	4.23E+06	6.95E+06	2.63E+06	1.29E+06	1.9E+06	4.95E+06	1.84E+06	1.81E+06	1.77E+06	3.01E+06	1.34E+06	2.43E+06	6.01E+06	1.6E+06	2.96E+06	5.06E+06	1.49E+06	2.21E+06	1.69E+06	3.41E+06	2.96E+06	1.6E+06	1.55E+06	6.18E+06	1.38E+06	3.14E+06	1.41E+06	2.99E+06	2.51E+06	2.56E+06
Taxa-4(20),11(12)-dien-5alpha-yl acetate	4.88E+04	1.89E+05	3.04E+05	3.82E+05	5.25E+03	1.98E+04	1.97E+05	1.95E+04	2.96E+05	2.56E+04	2.89E+03	1.8E+04	2.03E+04	4.81E+03	2.77E+05	2.08E+03	1.39E+05	2.42E+05	1.99E+04	2.68E+03	1.86E+04	1.03E+04	4.57E+03	2.21E+03	4.1E+05	1.14E+04	6.14E+03	1.81E+04	5.32E+03	2.55E+03	3.97E+03	7.03E+03	0	2.19E+04	1.33E+05	1.8E+05	1.33E+03	2.67E+04	2.11E+05	4.95E+03	1.79E+03	5.91E+03	5.15E+05	7.2E+05	1.45E+03
TDE_1	3.55E+06	3.67E+06	3.86E+06	4.1E+06	3.93E+06	3.64E+06	3.83E+06	4.38E+06	3.74E+06	4.05E+06	4.12E+06	3.89E+06	4.39E+06	3.88E+06	3.56E+06	4.09E+06	3.7E+06	3.58E+06	3.4E+06	3.46E+06	3.84E+06	3.93E+06	3.66E+06	4.11E+06	4.24E+06	3.81E+06	4.08E+06	3.91E+06	3.92E+06	3.93E+06	4.06E+06	4.37E+06	4.3E+06	4.39E+06	4.24E+06	3.96E+06	4.16E+06	3.7E+06	4E+06	3.72E+06	4.13E+06	3.7E+06	3.96E+06	3.76E+06	4.19E+06
TDE_2	2.94E+06	3.05E+06	2.81E+06	2.83E+06	2.75E+06	3.02E+06	2.86E+06	3.01E+06	2.95E+06	2.9E+06	3.15E+06	2.91E+06	3.09E+06	2.9E+06	3.13E+06	2.86E+06	2.96E+06	3E+06	3.13E+06	3.2E+06	2.9E+06	3.09E+06	3.03E+06	3.14E+06	2.99E+06	3.17E+06	2.7E+06	2.94E+06	3.09E+06	3.27E+06	3.21E+06	3.09E+06	3.15E+06	3.09E+06	2.88E+06	3.06E+06	3.18E+06	2.99E+06	2.88E+06	3E+06	3E+06	2.96E+06	3.06E+06	2.97E+06	2.99E+06
Terpendole G	9.7E+05	7.54E+05	7.11E+05	5.81E+05	5.68E+05	4.48E+05	7.23E+05	6.58E+05	6.99E+05	8.9E+05	5.34E+05	6.08E+05	5.78E+05	4.98E+05	9.27E+05	4.97E+05	7.8E+05	7.82E+05	5.31E+05	3.86E+05	4.45E+05	4.75E+05	6.56E+05	5.48E+05	8.67E+05	5.03E+05	1.02E+06	8.5E+05	4.73E+05	5.26E+05	5E+05	4.58E+05	3.4E+05	5.95E+05	8.61E+05	1E+06	1.53E+05	4.61E+05	8.86E+05	4.64E+05	4.43E+05	3.98E+05	7.43E+05	9.8E+05	3.62E+05
Thiometon	5.24E+05	8.02E+05	5.66E+05	9.79E+05	8.38E+05	6.6E+05	6.19E+05	6.08E+05	6.97E+05	9.14E+05	6.27E+05	5.66E+05	9.44E+05	9.09E+05	7.33E+05	8.84E+05	8.6E+05	5.73E+05	7.86E+05	6.22E+05	7.26E+05	8.98E+05	7.98E+05	6.19E+05	9.72E+05	6.34E+05	6.01E+05	9.08E+05	7.14E+05	7E+05	8.66E+05	6.4E+05	9.12E+05	7.62E+05	7.43E+05	7.61E+05	5.56E+05	4.73E+05	9.28E+05	6.47E+05	1.09E+06	4.16E+05	9.66E+05	7.71E+05	6.27E+05
Threonate	6.95E+06	1.01E+07	9.26E+06	1.3E+07	9.38E+06	8.66E+06	7.79E+06	6.83E+06	7.74E+06	8.9E+06	7.72E+06	7.92E+06	8.34E+06	1.12E+07	8.34E+06	7.89E+06	1.04E+07	8.73E+06	8.18E+06	8.64E+06	8.88E+06	7.61E+06	5.62E+06	7.18E+06	8.37E+06	4.41E+06	2.23E+06	8.83E+06	6.81E+06	5.31E+06	4.85E+06	6.1E+06	1E+07	8.25E+06	7.92E+06	8.59E+06	6.35E+06	6.16E+06	8.54E+06	4.42E+06	9.76E+06	6.01E+06	7.49E+06	8.76E+06	8.13E+06
Threonine	8.4E+06	1.29E+07	1.25E+07	1.58E+07	1.54E+07	1.29E+07	1.12E+07	1E+07	1.37E+07	1.46E+07	1.13E+07	1.33E+07	1.47E+07	1.66E+07	1.2E+07	1.41E+07	1.45E+07	1.29E+07	1.18E+07	1.31E+07	1.17E+07	1.12E+07	1.17E+07	1.21E+07	1.2E+07	7.82E+06	5.11E+06	1.23E+07	9.35E+06	1.01E+07	8.49E+06	8.83E+06	1.67E+07	1.23E+07	1.13E+07	1.17E+07	8.98E+06	9.04E+06	1.28E+07	8.97E+06	1.9E+07	9.59E+06	1.14E+07	1.31E+07	1.22E+07
Thymyl acetate	5.85E+05	5.67E+05	6.17E+05	5.9E+05	6.5E+05	6.45E+05	6.46E+05	6.98E+05	6.72E+05	7.12E+05	7.22E+05	6.94E+05	6.99E+05	6.68E+05	6.81E+05	6.37E+05	6.32E+05	6.2E+05	6.05E+05	5.95E+05	5.81E+05	5.73E+05	5.74E+05	5.66E+05	5.96E+05	5.31E+05	5.72E+05	5.53E+05	5.43E+05	5.44E+05	5.46E+05	5.07E+05	5.47E+05	5.75E+05	5.18E+05	5.65E+05	5.03E+05	4.98E+05	5.51E+05	5.09E+05	5.12E+05	5.39E+05	5.29E+05	5.09E+05	5.03E+05
Triadimenol	1.01E+05	6.96E+05	4.07E+05	3.4E+04	9.73E+03	3.63E+04	2.54E+05	4.33E+04	1.31E+06	1.73E+04	7.1E+03	2.99E+04	5.77E+04	9.9E+03	2.33E+05	1.92E+04	7.61E+05	5.12E+05	3.89E+04	1.48E+04	3.94E+04	1.32E+04	7.04E+03	2.01E+04	1.02E+06	2.58E+04	1.53E+04	2.44E+04	9.97E+04	1.04E+04	2.76E+04	1.87E+04	3.58E+04	7.19E+04	4.15E+05	6.16E+05	2.25E+04	6.04E+04	1.57E+05	1.5E+04	3.59E+04	2.26E+04	6.51E+05	1.82E+06	2.89E+03
UDP-glucose	3.03E+05	3.08E+04	1.41E+04	4.19E+05	5.22E+05	1.03E+05	1.54E+05	6.77E+04	3.22E+04	4.5E+05	1.07E+05	4.48E+05	5.35E+04	3.51E+05	4.06E+05	3.38E+04	2.7E+04	4E+05	3.5E+05	4.55E+05	6.64E+04	5.42E+04	3.31E+05	3.46E+05	3.35E+05	4.57E+04	1.4E+04	6.3E+04	4.18E+04	1.46E+05	1.75E+04	2.47E+05	7.11E+05	4.39E+05	3.76E+05	1.93E+05	1.65E+04	3.05E+05	3.64E+04	1.08E+05	5.49E+04	3.17E+05	1.78E+05	2.09E+04	4.12E+05
UDP-N-acetyl-alpha-D-glucosamine	7.65E+05	5.51E+05	3.54E+05	1.35E+06	1.36E+06	4.13E+05	6.28E+05	5.19E+05	3.29E+05	1.14E+06	6.12E+05	1.05E+06	3.9E+05	1.11E+06	1.31E+06	5.89E+05	5.17E+05	1.05E+06	6.48E+05	1.21E+06	5.61E+05	3.84E+05	7.76E+05	9.24E+05	1E+06	2.27E+05	1.82E+05	6.12E+05	4.54E+05	4.97E+05	3.41E+05	5.65E+05	1.88E+06	1.06E+06	1.07E+06	6.7E+05	2.59E+05	8.09E+05	5.49E+05	3.65E+05	6.23E+05	7.05E+05	7.55E+05	4.41E+05	1.45E+06
Urate_1	1.84E+07	1.94E+07	1.71E+07	2E+07	3.33E+07	3.13E+07	1.91E+07	3.56E+07	2.11E+07	3.41E+07	3.47E+07	2.94E+07	4.01E+07	3.26E+07	2.27E+07	3.65E+07	1.75E+07	2.07E+07	3.2E+07	2.63E+07	3.28E+07	3.74E+07	3.15E+07	3.57E+07	2.03E+07	3.21E+07	3.8E+07	3.08E+07	3.75E+07	3.58E+07	3.05E+07	3.42E+07	3.15E+07	3.43E+07	1.77E+07	2.13E+07	2.55E+07	2.84E+07	1.68E+07	2.91E+07	3.21E+07	2.7E+07	1.83E+07	2.05E+07	3.24E+07
Urate_2	1.82E+07	1.94E+07	1.66E+07	2E+07	2.94E+07	2.82E+07	1.8E+07	3.16E+07	1.91E+07	3.12E+07	3.11E+07	2.59E+07	3.49E+07	2.85E+07	2.07E+07	3.2E+07	1.64E+07	1.81E+07	2.94E+07	2.29E+07	3.04E+07	3.36E+07	3.02E+07	3.11E+07	1.89E+07	2.85E+07	3.46E+07	2.68E+07	3.3E+07	2.97E+07	2.74E+07	3.21E+07	2.78E+07	2.98E+07	1.69E+07	2E+07	2.22E+07	2.51E+07	1.6E+07	2.64E+07	2.91E+07	2.39E+07	1.71E+07	1.99E+07	2.99E+07
URIDINE	3.2E+05	1.46E+06	7.06E+05	5.61E+05	3.42E+05	5.48E+05	5.5E+05	5.91E+05	9.02E+05	4.17E+05	3.71E+05	3E+05	6.24E+05	5.2E+05	7.13E+05	1.18E+06	1.14E+06	3.91E+05	3.78E+05	4.99E+05	8.48E+05	6.62E+05	3.73E+05	2.92E+05	4.66E+05	4.22E+05	4.42E+05	1.11E+06	8.58E+05	7.33E+05	1.01E+06	2.22E+05	1.2E+06	3.47E+05	3.82E+05	5.23E+05	5.72E+05	2.04E+05	1.2E+06	2.97E+05	8.98E+05	1.59E+05	7.23E+05	1.03E+06	5.58E+05
Vicine	3.69E+05	3.39E+04	2.26E+04	5.38E+05	1.55E+05	1.76E+04	2.92E+05	2.28E+04	2.05E+04	3.83E+04	3.09E+05	4.27E+04	3.86E+05	2.17E+05	1.72E+05	4.44E+04	4.74E+05	5.47E+05	1.91E+04	1.11E+05	1.87E+05	1.8E+04	1.54E+05	6.68E+04	3.45E+05	1.58E+04	5.13E+05	3.78E+05	3.62E+04	4.6E+05	1.14E+06	2.45E+04	4.78E+04	3.38E+04	3.45E+05	3.94E+05	1.9E+04	3.3E+05	3.33E+05	2.73E+04	3.41E+05	1.8E+04	3.22E+04	3.72E+04	2.83E+05
Volkenin	9.51E+05	1.53E+06	1.15E+06	1.83E+06	1.55E+06	1.73E+06	1.22E+06	1.04E+06	1.42E+06	1.71E+06	1.16E+06	1.69E+06	1.83E+06	2.05E+06	1.62E+06	1.39E+06	1.55E+06	1.58E+06	1.59E+06	1.62E+06	1.62E+06	1.57E+06	1.07E+06	1.3E+06	1.54E+06	1.03E+06	4.65E+05	1.92E+06	1.31E+06	1.12E+06	9.27E+05	1.27E+06	2.1E+06	1.62E+06	1.47E+06	1.5E+06	9.61E+05	1.09E+06	1.39E+06	9.58E+05	2.17E+06	1.41E+06	1.67E+06	2.04E+06	1.46E+06
Xanthine	8.97E+05	1.06E+06	9.11E+05	1.35E+06	8.32E+05	9.08E+05	9.37E+05	9.99E+05	1.23E+06	9.5E+05	7.24E+05	7.02E+05	1.02E+06	7.02E+05	1.25E+06	8.48E+05	8.23E+05	1E+06	7.97E+05	8.72E+05	6.83E+05	8.11E+05	9.51E+05	1.06E+06	1.1E+06	7.28E+05	9.45E+05	8.38E+05	1.17E+06	1.01E+06	7.71E+05	7.55E+05	7.16E+05	1.2E+06	7.84E+05	1.04E+06	8.83E+05	7.45E+05	9.07E+05	7.17E+05	9.79E+05	5.93E+05	1.15E+06	1.13E+06	9.23E+05
Xanthurenic acid	4.37E+05	6.94E+05	5.2E+05	9.26E+05	7.52E+05	8.11E+05	5.8E+05	5.05E+05	5.81E+05	9.13E+05	5.32E+05	8.45E+05	7.67E+05	7.63E+05	5.63E+05	5.25E+05	8.66E+05	7.67E+05	7.63E+05	8.19E+05	5.65E+05	6.57E+05	4.85E+05	5.63E+05	6.56E+05	4.96E+05	4.01E+05	7.37E+05	6.59E+05	1.1E+06	9.47E+05	5.62E+05	6.67E+05	7.68E+05	7.32E+05	5.96E+05	5.73E+05	7.1E+05	6.47E+05	5.06E+05	9.6E+05	5.07E+05	7E+05	9.46E+05	6.11E+05
Z-Arg-Arg-NHMec	6.34E+05	7.22E+05	2.53E+05	9.69E+05	7.44E+05	2.12E+05	3.01E+05	5.03E+05	2.78E+05	8.14E+05	2.37E+05	6.75E+05	2.18E+05	3.58E+05	1.04E+06	4.37E+05	6.79E+05	9.11E+05	2.59E+05	4.33E+05	4.78E+05	1.6E+05	3.96E+05	3.6E+05	9.48E+05	1.59E+05	2.17E+05	7.51E+05	1.53E+05	2.45E+05	3.09E+05	2.24E+05	6.47E+05	6.4E+05	7.95E+05	4.79E+05	6.24E+04	3.76E+05	6.18E+05	1.49E+05	2.35E+05	3E+05	4.19E+05	4.11E+05	2.93E+05
Zeatin	3.55E+06	5.68E+06	4.09E+06	6.8E+06	5.5E+06	6.29E+06	4.17E+06	3.77E+06	5E+06	5.8E+06	3.96E+06	5.71E+06	5.75E+06	6.58E+06	5.06E+06	4.61E+06	5.12E+06	5.14E+06	5.03E+06	5.05E+06	5.06E+06	4.92E+06	3.35E+06	4.2E+06	4.95E+06	3.3E+06	1.5E+06	6.1E+06	4.26E+06	3.48E+06	2.93E+06	4.08E+06	6.88E+06	5.14E+06	4.58E+06	4.67E+06	3.16E+06	3.53E+06	4.37E+06	3.05E+06	7.01E+06	4.38E+06	5.56E+06	6.39E+06	4.68E+06
Zonisamide	7.73E+04	1.88E+05	2.53E+04	7.84E+04	4.7E+04	1.56E+05	2.24E+04	1.61E+05	2.07E+04	2.38E+05	1.63E+05	9.33E+04	2.43E+05	3.79E+05	2.57E+05	2.81E+04	1.4E+05	1.49E+05	1.69E+05	1.31E+05	2.28E+05	1.93E+05	2.25E+04	6.97E+04	2.43E+05	2.07E+05	2.02E+05	8.13E+04	9.21E+05	3.87E+05	4.63E+04	1E+05	2.08E+05	1.57E+05	5.22E+04	1.16E+05	3.49E+04	2.32E+05	1.96E+05	3.47E+04	5.45E+04	3.19E+05	5.39E+04	3.78E+04	7.77E+04
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Retention Index	PubChem CID	KEGG ID	mass spectrum
(+/-)-6-Acetonyldihydrosanguinarine	0.80	NOT Found in Database	C12201	388.1172
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid	15.70	445580	C06429	327.2347
(9R,10R)-Dihydroxyoctadecanoic acid	12.97	12235228	C08314	315.2534
(R)-2-Hydroxystearate	14.47	21145040	C03042	299.2592
(S)-Malate	1.06	222656	C00149	133.0129
1,2-Bis(4-nitrophenyl)ethane	7.65	69776	C14589	271.0703
16-Dehydroprogesterone	14.87	101964	C03207	311.2012
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine	16.61	59834030	C13877	716.5211
1-Hydroxy-2-naphthoate	1.10	54675865	C03203	187.0409
2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate	16.45	14556935	C04638	715.5098
2,4-Dichlorotoluene	0.59	7254	C18300	158.9773
2,4-Dinitroaniline	0.87	7321	C14713	182.0215
20-Hydroxyecdysone	13.65	5459840	C02633	479.2978
2-Aceto-2-hydroxybutanoate	7.13	21	C00659	145.0492
2-Amino-5-phosphopentanoic acid	1.07	1216	C13734	196.0370
2-Aminobenzenesulfonate	0.72	5460186	C06333	172.0085
2-Ethylhexyl phthalate	13.55	NOT Found in Database	C03343	277.1443
2-Oxoglutarate	1.11	51	C00026	145.0130
2-Phosphinomethylmalate	0.78	6336010	C17947	211.0003
3-(2-Hydroxyphenyl)propanoate	8.72	6930705	C01198	165.0546
3-(4-Hydroxyphenyl)lactate	7.53	9378	C03672	181.0493
3,4-Dihydroxy-L-phenylalanine	0.92	6047	C00355	196.0604
3,5-Dinitroguaiacol	11.18	14345197	C17101	213.0148
3,7,4'-Tri-O-methylquercetin	7.63	5280682	C04444	343.0799
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate	10.28	54683777	C04604	196.0243
3-Hydroxyhexobarbital	6.87	439898	C03068	251.1036
3-HYDROXYKYNURENINE	3.24	89		223.0716
3-Methyleneoxindole	9.74	150946	C02796	144.0442
4,4'-Biphenyldithiol	7.14	81399	C14569	217.0172
4,8-Dihydroxyquinoline_1	7.33	440737	C05637	160.0393
4,8-Dihydroxyquinoline_2	3.29	440737	C05637	160.0393
4-Chloroacetanilide_1	1.33	10871	C14494	168.0232
4-Chloroacetanilide_2	1.89	10871	C14494	168.0232
4-Hydroxy-4-methylglutamate	0.99	440894	C06034	176.0554
4-Hydroxybenzoate	7.85	54675830	C00156	137.0231
4-Imidazolone-5-propanoate	0.98	128	C03680	155.0450
4-Oxoproline	1.85	107541	C01877	128.0340
4-Sulfobenzyl alcohol	8.46	9543135	C06678	187.0061
5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene	7.02	440357	C04486	233.0120
5-Acetylamino-6-formylamino-3-methyluracil	0.75	108214	C16365	225.0611
5-Hydroxymethyldeoxycytidylate	7.64	440189	C03997	336.0593
5-Methylthiopentanaldoxime	0.72	25010757	C17245	146.0640
5-Oxo-1,2-campholide	10.56	439864	C02952	181.0859
5''-Phosphoribostamycin	16.26	70678656	C18004	533.1822
6-Benzylaminopurine	13.20	62389	C11263	224.0924
6-Phospho-D-glucosaminate	7.37	71728452	C20589	274.0333
7-Methyluric acid	6.23	69160	C16355	181.0357
9,10-Phenanthroquinone	0.70	6763	C03243	207.0446
9,12,13-TriHOME	11.05	9858729	C14833	329.2334
Acadesine	3.21	17513	C04663	257.0886
Acetyl-maltose	3.43	11349616	C02130	383.1219
ADP	1.06	6022	C00008	426.0222
alpha,beta-Didehydrotryptophan	0.90	5280990	C06732	201.0678
AMP	1.10	6083	C00020	346.0553
Arachidonate	16.01	444899	C00219	303.2330
Arginine	0.70	6322	C00062	173.1033
Aryl sulfate	7.01	74426	C00850	172.9905
Aspartic acid	0.76	5960	C16433	132.0290
Azelaic acid	9.24	2266	C08261	187.0965
Bakankoside	7.16	442506	C09914	356.1345
Bakkenolide A	14.21	442173	C09350	233.1541
Bendiocarb	7.77	2314	C14433	222.0763
Bis(4'-chlorophenyl)acetate_1	1.33	4616189	C06640	278.9980
Bis(4'-chlorophenyl)acetate_2	1.89	4616189	C06640	278.9980
BMS-268770	0.78	NOT Found in Database	C14123	489.1666
Botrydial_1	12.19	185781	C09622	309.1709
Botrydial_2	12.53	185781	C09622	309.1709
C20913	0.87	92042779	C20913	233.0776
Cammaconine	11.94	441715	C08666	406.2629
CITRATE	1.97	311		191.0189
Coniferyl alcohol	11.13	1549095	C00590	179.0701
Coronene	1.10	9115	C19375	299.0879
Creatine-D3	0.90	NOT Found in Database		133.0798
Cytidine	0.77	6175	C00475	242.0796
D-(+)-TREHALOSE	0.78	7427		377.0860
D-2-Hydroxyisocaproate	7.95	439960	C03264	131.0701
D-Arabinono-1,4-lactone	1.21	17723	C00652	147.0286
DCEBIO	9.47	656765	C13844	228.9936
DCI	0.74	NOT Found in Database	C11772	246.0462
D-Erythrose	0.84	94176	C01796	119.0341
D-Glucarate	0.70	33037	C00818	209.0295
D-GLUCURONOLACTONE	0.74	92283		193.0344
Dinoseb_1	14.33	6950	C14302	239.0669
Dinoseb_2	13.28	6950	C14302	239.0669
Diphyllin	0.78	100492	C10559	379.0818
D-Xylonate	0.73	5460056	C00502	165.0397
Endothal-disodium	13.62	8519	C18724	229.0087
Ethanolamine phosphate	0.69	1015	C00346	140.0106
Etorphine	13.02	26721	C11793	410.2364
Fagomine	0.96	72259	C10144	146.0811
Fenamiphos	0.76	31070	C18659	302.1006
Fenclorim	1.06	77338	C18832	222.9831
Fructoselysine 6-phosphate	0.80	50909832	C16489	387.1147
Furmecyclox	15.24	43359	C18912	250.1447
gamma-L-Glutamyl-D-alanine	1.11	25200557	C03738	217.0825
Gemfibrozil	14.96	3463	C07020	249.1493
GLUCONIC ACID	0.74	10690		195.0501
Glucose 6-phosphate/Fructose 6-phosphate	0.72	NOT Found in Database	C00085	259.0223
Glucose/Fructose [M+Cl]-	0.74	NOT Found in Database	C00293/C01496	215.0320
Glutamine	0.72	5961	C00303	145.0605
Glycerophosphoglycerol	0.74	439964	C03274	245.0430
Guanosine	6.28	6802	C00387	282.0844
Hedamycin	8.73	98033	C15759	745.3389
Hydroxyflutamide	3.23	91649	C14204	291.0601
Hyoscyamine methylbromide	7.08	17882	C13109	382.0998
Inosine	6.16	6021	C00294	267.0735
Jamaicamide C	10.09	49787033	C18214	489.2531
L-2,3-Dihydrodipicolinate	10.55	5460228	C03340	168.0290
L-2-Aminoadipate	0.90	92136	C00956	160.0604
Lactucin	7.64	442266	C09489	275.0923
Lamiide	8.00	443327	C11644	421.1360
L-Arginine phosphate	0.70	92150	C05945	253.0701
L-Cladinose	8.67	5460588	C11917	175.0964
L-Glutamate	0.76	33032	C00025	146.0447
L-Histidine	0.69	6274	C00135	154.0609
Linoleate	16.26	5280450	C01595	279.2325
L-Methionine	1.11	6137	C00073	148.0424
L-Methionine S-oxide	0.75	158980	C02989	164.0376
L-Phenylalanine	6.25	6140	C00079	164.0707
L-Tryptophan	7.64	6305	C00078	203.0819
L-TYROSINE	3.43	6057		180.0657
L-Tyrosine methyl ester	13.33	70652	C03404	194.0815
L-Tyrosine methyl ester 4-sulfate	7.40	21145083	C04201	274.0387
Lysine	0.65	5962	C16440	145.0969
Malaoxon	1.09	15415	C07498	313.0512
Mannitol	0.74	6251	C00392	181.0703
Melampodinin	0.82	11953936	C09501	521.1716
Mercury(2+)_1	0.72	26623	C00703	200.9644
Mercury(2+)_2	3.55	26623	C00703	200.9644
Mercury(2+)_3	3.89	26623	C00703	200.9644
Mercury(2+)_4	3.15	26623	C00703	200.9644
Mercury(2+)_5	4.69	26623	C00703	200.9644
MYO-INOSITOL	0.83	892		179.0552
N-Acetyl-D-glucosamine 6-phosphate	6.24	440996	C00357	300.0467
N-ACETYL-D-MANNOSAMINE	0.76	439281		256.0594
N-Acetyl-D-tryptophan	9.48	439917	C03137	245.0930
N-Acetyl-L-aspartate	1.11	65065	C01042	174.0397
N-Acetyl-L-glutamate	2.24	70914	C00624	188.0554
N-Acetyl-L-leucine	8.27	70912	C02710	172.0968
N-Acetylornithine	0.98	439232	C00437	173.0920
N-Glycolyl-D-mannosamine 6-phosphate	3.43	440300	C04336	316.0411
Nidificene	11.37	14865953	C17116	394.9750
N-Methylhexanamide	8.69	439790	C02722	128.1068
Oxalureate	0.85	456	C00802	131.0103
Phosphoramide mustard	1.10	96356	C07647	218.9855
Phytuberin	12.78	442387	C09709	293.1755
Plocamene D	1.20	6443228	C17105	236.9987
Proline	0.86	614	C16435	114.0547
Pyridafenthion	7.65	8381	C18762	339.0575
Quinolinate	0.96	1066	C03722	166.0139
Quizalofop-ethyl	3.21	53518	C18530	371.0815
Rishitin	14.00	108064	C09715	221.1540
Salannin	12.37	6437066	C08780	595.2879
Sepiapterin	0.83	65253	C00835	236.0777
sn-Glycero-3-phospho-1-inositol	0.70	45480545	C01225	333.0585
sn-Glycero-3-phosphoethanolamine_1	0.71	444183	C01233	214.0494
sn-Glycero-3-phosphoethanolamine_2	12.91	444183	C01233	214.0502
sn-Glycerol 3-phosphate	0.72	439162	C00093	171.0054
Sodium citrate	1.12	6224	C13249	292.9866
Suberic acid	8.58	10457	C08278	173.0810
Succinate	2.32	160419	C00042	117.0182
Taxa-4(20),11(12)-dien-5alpha-yl acetate	16.20	443486	C11896	329.2489
TDE_1	1.32	6294	C06636	316.9471
TDE_2	17.50	6294	C06636	316.9472
Terpendole G	12.73	10411534	C20586	450.2623
Thiometon	1.06	12541	C18665	244.9912
Threonate	0.76	5460407	C01620	135.0298
Threonine	0.73	6288	C00188	118.0495
Thymyl acetate	12.59	68252	C09909	191.1067
Triadimenol	7.82	41368	C11127	294.1016
UDP-glucose	0.85	8629	C00029	565.0473
UDP-N-acetyl-alpha-D-glucosamine	0.92	16667373	C00043	606.0743
Urate_1	1.34	1175	C00366	167.0200
Urate_2	1.90	1175	C00366	167.0200
URIDINE	2.90	6029		243.0620
Vicine	3.21	91446	C08437	303.0941
Volkenin	6.64	181811	C08344	286.0910
Xanthine	2.54	1188	C00385	151.0250
Xanthurenic acid	7.46	5699	C02470	204.0295
Z-Arg-Arg-NHMec	12.40	NOT Found in Database	C02334	620.2913
Zeatin	6.64	449093	C00371	218.1026
Zonisamide	8.94	5734	C07504	211.0177
METABOLITES_END
#END