#METABOLOMICS WORKBENCH BaiRui_20210330_053635_mwtab.txt DATATRACK_ID:2548 STUDY_ID:ST001746 ANALYSIS_ID:AN002842 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	April 19, 2021, 6:11 pm
#PROJECT
PR:PROJECT_TITLE                 	Examination of Candidate Differential Metabolites for Lethal Chlorpromazine
PR:PROJECT_TITLE                 	Poisoning Using a LC-MS-based Metabolomics Approach in Mice
PR:PROJECT_TYPE                  	Original Research
PR:PROJECT_SUMMARY               	Examination of Candidate Differential Metabolites for Lethal Chlorpromazine
PR:PROJECT_SUMMARY               	Poisoning Using a LC-MS-based Metabolomics Approach in Mice
PR:INSTITUTE                     	Hebei medical university
PR:LAST_NAME                     	rui
PR:FIRST_NAME                    	bai
PR:ADDRESS                       	china
PR:EMAIL                         	15822925144@163.com
PR:PHONE                         	18522889554
#STUDY
ST:STUDY_TITLE                   	Examining the Identified Differential Metabolites in Other Antipsychotics with a
ST:STUDY_TITLE                   	High Fatality Frequency
ST:STUDY_SUMMARY                 	Examining the Identified Differential Metabolites in Other Antipsychotics with a
ST:STUDY_SUMMARY                 	High Fatality Frequency
ST:INSTITUTE                     	Hebei medical university
ST:LAST_NAME                     	rui
ST:FIRST_NAME                    	bai
ST:ADDRESS                       	china
ST:EMAIL                         	15822925144@163.com
ST:PHONE                         	18522889554
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	FCS1	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FCS1
SUBJECT_SAMPLE_FACTORS           	-	FCS2	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FCS2
SUBJECT_SAMPLE_FACTORS           	-	FCS3	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FCS3
SUBJECT_SAMPLE_FACTORS           	-	FCS4	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FCS4
SUBJECT_SAMPLE_FACTORS           	-	FCS5	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FCS5
SUBJECT_SAMPLE_FACTORS           	-	MCS1	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MCS1
SUBJECT_SAMPLE_FACTORS           	-	MCS2	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MCS2
SUBJECT_SAMPLE_FACTORS           	-	MCS3	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MCS3
SUBJECT_SAMPLE_FACTORS           	-	MCS4	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MCS4
SUBJECT_SAMPLE_FACTORS           	-	MCS5	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MCS5
SUBJECT_SAMPLE_FACTORS           	-	FT1	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FT1
SUBJECT_SAMPLE_FACTORS           	-	FT2	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FT2
SUBJECT_SAMPLE_FACTORS           	-	FT3	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FT3
SUBJECT_SAMPLE_FACTORS           	-	FT4	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FT4
SUBJECT_SAMPLE_FACTORS           	-	FT5	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FT5
SUBJECT_SAMPLE_FACTORS           	-	MT1	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MT1
SUBJECT_SAMPLE_FACTORS           	-	MT2	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MT2
SUBJECT_SAMPLE_FACTORS           	-	MT3	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MT3
SUBJECT_SAMPLE_FACTORS           	-	MT4	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MT4
SUBJECT_SAMPLE_FACTORS           	-	MT5	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MT5
SUBJECT_SAMPLE_FACTORS           	-	FN1	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FN1
SUBJECT_SAMPLE_FACTORS           	-	FN2	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FN2
SUBJECT_SAMPLE_FACTORS           	-	FN3	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FN3
SUBJECT_SAMPLE_FACTORS           	-	FN4	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FN4
SUBJECT_SAMPLE_FACTORS           	-	FN5	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FN5
SUBJECT_SAMPLE_FACTORS           	-	MN1	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MN1
SUBJECT_SAMPLE_FACTORS           	-	MN2	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MN2
SUBJECT_SAMPLE_FACTORS           	-	MN3	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MN3
SUBJECT_SAMPLE_FACTORS           	-	MN4	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MN4
SUBJECT_SAMPLE_FACTORS           	-	MN5	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MN5
SUBJECT_SAMPLE_FACTORS           	-	FX1	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FX1
SUBJECT_SAMPLE_FACTORS           	-	FX2	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FX2
SUBJECT_SAMPLE_FACTORS           	-	FX3	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FX3
SUBJECT_SAMPLE_FACTORS           	-	FX4	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FX4
SUBJECT_SAMPLE_FACTORS           	-	FX5	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FX5
SUBJECT_SAMPLE_FACTORS           	-	MX1	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MX1
SUBJECT_SAMPLE_FACTORS           	-	MX2	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MX2
SUBJECT_SAMPLE_FACTORS           	-	MX3	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MX3
SUBJECT_SAMPLE_FACTORS           	-	MX4	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MX4
SUBJECT_SAMPLE_FACTORS           	-	MX5	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MX5
SUBJECT_SAMPLE_FACTORS           	-	FZ1	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FZ1
SUBJECT_SAMPLE_FACTORS           	-	FZ2	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FZ2
SUBJECT_SAMPLE_FACTORS           	-	FZ3	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FZ3
SUBJECT_SAMPLE_FACTORS           	-	FZ4	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FZ4
SUBJECT_SAMPLE_FACTORS           	-	FZ5	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=FZ5
SUBJECT_SAMPLE_FACTORS           	-	MZ1	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MZ1
SUBJECT_SAMPLE_FACTORS           	-	MZ2	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MZ2
SUBJECT_SAMPLE_FACTORS           	-	MZ3	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MZ3
SUBJECT_SAMPLE_FACTORS           	-	MZ4	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MZ4
SUBJECT_SAMPLE_FACTORS           	-	MZ5	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	RAW_FILE_NAME=MZ5
SUBJECT_SAMPLE_FACTORS           	-	FFS1	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FFS1
SUBJECT_SAMPLE_FACTORS           	-	FFS2	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FFS2
SUBJECT_SAMPLE_FACTORS           	-	FFS3	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FFS3
SUBJECT_SAMPLE_FACTORS           	-	FFS4	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FFS4
SUBJECT_SAMPLE_FACTORS           	-	FFS5	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FFS5
SUBJECT_SAMPLE_FACTORS           	-	MFS1	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MFS1
SUBJECT_SAMPLE_FACTORS           	-	MFS2	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MFS2
SUBJECT_SAMPLE_FACTORS           	-	MFS3	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MFS3
SUBJECT_SAMPLE_FACTORS           	-	MFS4	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MFS4
SUBJECT_SAMPLE_FACTORS           	-	MFS5	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MFS5
SUBJECT_SAMPLE_FACTORS           	-	FLS1	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FLS1
SUBJECT_SAMPLE_FACTORS           	-	FLS2	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FLS2
SUBJECT_SAMPLE_FACTORS           	-	FLS3	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FLS3
SUBJECT_SAMPLE_FACTORS           	-	FLS4	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FLS4
SUBJECT_SAMPLE_FACTORS           	-	FLS5	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FLS5
SUBJECT_SAMPLE_FACTORS           	-	MLS1	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MLS1
SUBJECT_SAMPLE_FACTORS           	-	MLS2	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MLS2
SUBJECT_SAMPLE_FACTORS           	-	MLS3	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MLS3
SUBJECT_SAMPLE_FACTORS           	-	MLS4	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MLS4
SUBJECT_SAMPLE_FACTORS           	-	MLS5	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MLS5
SUBJECT_SAMPLE_FACTORS           	-	FOS1	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FOS1
SUBJECT_SAMPLE_FACTORS           	-	FOS2	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FOS2
SUBJECT_SAMPLE_FACTORS           	-	FOS3	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FOS3
SUBJECT_SAMPLE_FACTORS           	-	FOS4	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FOS4
SUBJECT_SAMPLE_FACTORS           	-	FOS5	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=FOS5
SUBJECT_SAMPLE_FACTORS           	-	MOS1	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MOS1
SUBJECT_SAMPLE_FACTORS           	-	MOS2	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MOS2
SUBJECT_SAMPLE_FACTORS           	-	MOS3	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MOS3
SUBJECT_SAMPLE_FACTORS           	-	MOS4	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MOS4
SUBJECT_SAMPLE_FACTORS           	-	MOS5	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	RAW_FILE_NAME=MOS5
#COLLECTION
CO:COLLECTION_SUMMARY            	blood samples were centrifuged at 5,000 g for 5 min and then centrifuged at
CO:COLLECTION_SUMMARY            	8,000 g for 5 min at 4°C to obtain plasma. All plasma samples were then
CO:COLLECTION_SUMMARY            	snap-frozen in liquid nitrogen and stored at -80°C. Whole blood samples that
CO:COLLECTION_SUMMARY            	were utilized to access stability were immediately stored at -80 °C following
CO:COLLECTION_SUMMARY            	collection.
CO:SAMPLE_TYPE                   	Blood (plasma)
#TREATMENT
TR:TREATMENT_SUMMARY             	blood samples were centrifuged at 5,000 g for 5 min and then centrifuged at
TR:TREATMENT_SUMMARY             	8,000 g for 5 min at 4°C to obtain plasma. All plasma samples were then
TR:TREATMENT_SUMMARY             	snap-frozen in liquid nitrogen and stored at -80°C. Whole blood samples that
TR:TREATMENT_SUMMARY             	were utilized to access stability were immediately stored at -80 °C following
TR:TREATMENT_SUMMARY             	collection.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	blood samples were centrifuged at 5,000 g for 5 min and then centrifuged at
SP:SAMPLEPREP_SUMMARY            	8,000 g for 5 min at 4°C to obtain plasma. All plasma samples were then
SP:SAMPLEPREP_SUMMARY            	snap-frozen in liquid nitrogen and stored at -80°C. Whole blood samples that
SP:SAMPLEPREP_SUMMARY            	were utilized to access stability were immediately stored at -80 °C following
SP:SAMPLEPREP_SUMMARY            	collection.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Low pH polar
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Waters Acquity BEH HSS T3 (100 x 2.1mm, 1.8um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	Proprietary analytical software for integration and peak picking
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	FCS1	FCS2	FCS3	FCS4	FCS5	MCS1	MCS2	MCS3	MCS4	MCS5	FT1	FT2	FT3	FT4	FT5	MT1	MT2	MT3	MT4	MT5	FN1	FN2	FN3	FN4	FN5	MN1	MN2	MN3	MN4	MN5	FX1	FX2	FX3	FX4	FX5	MX1	MX2	MX3	MX4	MX5	FZ1	FZ2	FZ3	FZ4	FZ5	MZ1	MZ2	MZ3	MZ4	MZ5	FFS1	FFS2	FFS3	FFS4	FFS5	MFS1	MFS2	MFS3	MFS4	MFS5	FLS1	FLS2	FLS3	FLS4	FLS5	MLS1	MLS2	MLS3	MLS4	MLS5	FOS1	FOS2	FOS3	FOS4	FOS5	MOS1	MOS2	MOS3	MOS4	MOS5
Factors	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning	Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning
Phenotype 1	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Drowning	Drowning	Drowning	Drowning	Drowning	Drowning	Drowning	Drowning	Drowning	Drowning	Hemorrhagic shock	Hemorrhagic shock	Hemorrhagic shock	Hemorrhagic shock	Hemorrhagic shock	Hemorrhagic shock	Hemorrhagic shock	Hemorrhagic shock	Hemorrhagic shock	Hemorrhagic shock	Mechanical asphyxia	Mechanical asphyxia	Mechanical asphyxia	Mechanical asphyxia	Mechanical asphyxia	Mechanical asphyxia	Mechanical asphyxia	Mechanical asphyxia	Mechanical asphyxia	Mechanical asphyxia	Lethal PER poisoning	Lethal PER poisoning	Lethal PER poisoning	Lethal PER poisoning	Lethal PER poisoning	Lethal PER poisoning	Lethal PER poisoning	Lethal PER poisoning	Lethal PER poisoning	Lethal PER poisoning	Lethal CLO poisoning	Lethal CLO poisoning	Lethal CLO poisoning	Lethal CLO poisoning	Lethal CLO poisoning	Lethal CLO poisoning	Lethal CLO poisoning	Lethal CLO poisoning	Lethal CLO poisoning	Lethal CLO poisoning	Lethal OLA poisoning	Lethal OLA poisoning	Lethal OLA poisoning	Lethal OLA poisoning	Lethal OLA poisoning	Lethal OLA poisoning	Lethal OLA poisoning	Lethal OLA poisoning	Lethal OLA poisoning	Lethal OLA poisoning
Phenotype 2	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Lethal CPZ poisoning	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning	PER OLA CLO lethal poisoning
Phenotype 3	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	Non-drug related death	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning	CPZ PER OLA CLO lethal poisoning
(+)-Calycanthine	66359494.86	55879052.18	66716185.51	64727640.48	65195655.39	19497673.03	44305208.37	36014416.49	55140746.16	37293812.18	5259378.931	2485302.749	6825293.334	5541305.399	2452068.69	6121326.52	1390549.863	8693133.995	466869.8754	7243166.011	21719971.21	37833041.65	32353914.52	44572401.94	36662511.43	17524225.49	8504277.646	17243194.43	18874654.38	16909167.48	34099532.03	32920431.95	23917368.15	19897425.11	26542501.16	31486481.76	35677649.94	29604811.57	30410864.93	29826710.54	41277514.85	33049624.93	7619804.561	39694904.22	31430915.1	22290328.39	25738692.64	30543208.06	24111795.05	28645817.22	59386453.25	63754538.39	68956589.55	78695376.23	70560951.73	50338209.98	52188976.55	76693973.52	58611844.14	46971303.28	54877726.14	62193020.46	50226419.59	51089080.64	62644557.99	54534688.71	29507637.37	51476795.52	19921259.39	44830402.12	27497509.65	63504767.8	38395487.45	38374430.59	35496004.94	23220089.59	35559635.89	29835009.29	38262623.59	42299657.45
(±)-2,6-Dimethyl-5-heptenal	43248910.21	27642884.12	36918161.6	28322137.35	28715866.7	34094968.6	48177856.03	37166135.78	47239399.75	36514685.89	52818389.16	46757454.16	39017058.26	36045222.33	44425541.71	47693140.11	41387513.06	43735334.07	42206450.27	44482283.69	34603724.91	27318325.48	39822579.49	29535563.69	42332926.18	37632794.64	35052289.11	43081033.84	39463088.96	44709253.43	43459728.59	18262965.71	31488941.5	29122179.88	33428329.18	28439436.8	26267423.94	25850111.82	29898113.56	29459912.39	37387374.59	34359548.33	24753642.27	38472148.67	34550349	34316610.37	37087148.68	36857983.56	32928883.79	34900497.36	14639380.87	53390946.93	20881865.24	18723164.73	19471485.42	26038990.35	29881386.25	39956559.05	26048215.75	25203386.96	13125828.59	16875771.98	14419544.4	24568089.48	10803126.1	13071017.69	22297443.79	13453451.13	18160100.64	13871545.49	29380188.63	26731272.47	31138300.47	32297115.59	34791720.73	33404308.18	29094261.1	18438104.85	22064279.25	18602249.05
(±)-2-Hydroxy-4-(methylthio)butanoic acid	1875692.483	1408317.914	2640151.667	1368760.507	1467932.388	1463593.684	3352605.707	2109314.5	2285966.092	2114015.417	1566100.454	1467231.393	3641321.66	2248875.115	1293039.283	2911238.902	3653424.659	2585120.307	1893458.644	2666371.761	1111776.945	963972.291	1254076.519	895654.2791	1260079.63	3151508.221	2929168.73	2579621.503	2007653.662	2747035.14	1289995.182	812129.8307	2608547.784	1733404.264	2922818.806	2107066.803	2647513.339	1714638.356	5770140.139	2273665.081	2196561.897	2581582.474	1620799.178	3560927.361	3377751.98	1992288.707	1826360.441	1824625.839	2087314.702	1928277.124	815482.7039	2275470.123	3011898.81	2880860.311	3090810.225	1961079.934	2412003.259	3198393.265	1857210.172	1731068.09	4109425.478	3264917.172	3198773.645	4457531.636	3453490.652	2374777.276	2889248.347	1512094.381	1420738.27	1809369.407	1483421.605	2173733.364	1771732.724	2188919.591	2678854.627	2025108.253	1765081.844	1516740.368	1972409.309	1597696.556
(±)-Camphoric acid	821651.3447	1542508.746	6116600.629	4134125.47	3857491.708	945080.8314	1059136.834	1409009.327	3425085.706	1469150.304	773461.8286	1122004.953	821976.2747	677713.5535	1093863.403	383288.8165	290855.4008	565910.6744	526722.4535	713165.1962	20320982.67	776942.2906	748339.752	582217.1932	594508.0488	2620751.542	9082077.897	727592.637	617640.0929	733496.7321	170432.0866	378083.1322	333979.64	249669.7179	353746.0188	776433.2824	1701343.016	2150235.163	573779.0184	987144.3243	1451413.175	868766.0835	907659.8972	283592.7843	229378.4298	3052734.792	1128393.477	1848315.936	1533155.597	1584099.75	2813531.658	472412.1116	7236321.492	6868275.927	7470150.933	3910310.309	1390187.83	3065214.834	3849380.835	3926869.874	4760274.256	13896250.05	12554389.68	11451632.89	3974698.996	28170904.4	3260912.5	12975111.59	2291240.372	15645835.88	1349316.065	4278064.178	2469003.901	724502.5204	2396090.443	1641741.439	2086247.656	2722615.344	2753432.916	2521263.809
(±)-Furaneol	632463.3681	641911.8791	1049807.611	271303.4031	1195391.231	935652.1899	1688673.748	1443054.438	274984.3323	337536.8229	463817.7235	488360.7113	451492.1802	409067.0749	578052.7597	316294.8586	506135.1059	466261.2449	505958.7457	653899.2507	1354606.856	666024.9675	777590.9344	609594.2648	783918.7722	449567.0647	1011413.339	764198.172	830934.9382	1066813.471	481916.9316	279601.3141	256723.9358	351880.5414	213288.9546	530782.7039	782195.7224	476252.8502	182389.7383	425057.5572	502826.0708	576213.0628	899084.0181	834862.9321	680278.9211	350106.0033	582616.8379	465110.9865	339180.113	489734.3056	332670.0296	456785.062	525144.5097	534666.1108	484720.1724	638098.8964	1936701.718	483392.8682	604712.6025	865568.4576	360046.8784	702504.0648	651530.7864	641359.0937	455158.1016	352095.8392	503826.3999	548233.1486	717776.5974	244120.7207	472017.9535	560605.0953	911827.2067	473843.9001	778562.7322	181596.368	198580.0469	473916.285	166795.3422	521778.4854
(2S)-2-[(2-Methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid	14373504.65	21585552.2	19701073.93	37550688.66	39030484.75	186425489.4	89641788.64	143085919.5	76913500.13	140886127.9	11904158.33	7682397.83	11675084.91	9392724.941	7817199.462	111906677.4	215285752.4	181552601.6	188651453.1	183742576.1	12476760.76	16841648.3	27343693.01	17805187.78	27138683	405000961.6	653098796	383802911.9	292009129.2	391500779.1	6824559.408	4874265.929	58335838.42	7149525.171	57852901.21	84297674.33	230180210.9	119837928.7	215217770.5	86230983.2	14031911.19	12835935.35	17769419.03	10773151.03	10669341.01	79649798.95	135210935.1	58532271.38	77175420.54	57758316.56	9458365.035	38116163.29	6785355.004	7348177.794	7144503.328	128017774.6	207123799.7	212068710.6	129578623.1	124728512.4	8789479.013	14511627.88	13628865.54	12388649.14	9342028.847	126122728.1	156398364.3	51687654.75	130289159.3	54598054.54	18365651.37	15784108.99	18222374.87	13353685.15	19575558.26	37775691.29	45993417.34	70021776.98	84923240.43	71225215.72
(R)-3-Hydroxy myristic acid	3969478.84	9364762.409	14995618.25	8665666.987	9096346.865	4086024.951	1479187.562	17966572.06	7493229.101	14781787.29	1924617.995	2279807.571	1984845.854	2161499.668	1611546.917	1075076.836	794036.4921	1606820.459	1778178.228	1502332.19	93554075.41	103636346.8	32385148.27	122199645.7	33071534.77	20981431.89	25262596.85	6887131.193	13000082.88	6352549.966	827509.7428	3784065.22	2988409.061	2513641.004	3076529.974	2131591.892	6885532.951	6011201.655	4174963.625	1906911.894	5402675.27	3724932.854	4544427.187	1515385.622	2047294.656	5974201.165	6473079.707	9237315.029	8795853.458	9404967.325	5535815.802	2696833.046	10807267.72	11242322.71	10460406.47	9354454.015	4110886.834	4444225.009	8294484.164	8850374.614	7954000.281	14077592.31	11611452.68	6062386.477	8264603.717	7492839.59	3636997.592	9190432.045	8426338.612	11708719.91	6317982.468	9952722.987	15382961.69	7993874.118	17163497.81	3132417.089	4514140.684	4639120.544	5710300.961	5488709.469
(R)-3-hydroxybutyrylcarnitine	208268.2777	7637801.4	8632589.259	369149.2916	5804969.021	1328336.271	1016258.758	10562255.68	738110.6987	11024177.4	8421743.378	8324568.773	9094209.378	10412284.47	8396096.146	12535263.54	3669920.927	12151164.48	9462046.011	12936218.67	29937629.86	11471288.32	11973372.59	11507569.01	16623180.54	16261615.28	13597638.19	8188345.932	9931750.033	8923269.19	878226.5496	3233472.098	3226396.303	2263129.119	3517106.303	9606073.474	11124121.28	14575719.43	6566742.116	8897737.714	25078299.57	17549018.66	6359783.751	19573113.25	18430554.55	15629531.18	16175950.63	10716264.77	21536677.87	13676498.32	755799.7259	5833782.993	11282584.26	9788538.499	11833670.37	7381975.505	4376280.572	8160974.9	9396102.023	10587973.58	4849992.23	18233441.16	17388989.24	3294100.319	4704957.274	27717274.45	3753838.408	10820532.72	7787498.303	12038326.06	2726226.254	4060906.083	4808185.838	2704532.516	5001584.229	2805608.147	6066830.235	3605534.081	4441974.54	3508499.516
(R)-3-Hydroxydecanoic acid	1728677.091	4079064.945	4626423.225	4479565.63	4775628.237	2666063.751	1514250.622	6555862.4	3924257.001	6708352.07	11134210.34	15191671.34	15070056.16	12775883.05	14386141.66	10093024.66	5697197.515	8331353.247	8139779.466	9231808.635	49339776.12	29248547.19	16341253.58	31945443.09	16909015.94	18498193.88	16026365.37	8038372.316	8694129.606	9598365.998	4050582.748	3816159.951	4784255.351	5444489.958	5382908.271	2937807.3	3566239.957	2904185.145	4034462.212	2844146.497	5093860.368	2574650.408	1936612.429	1465052.701	1407549.693	9769313.415	11206116.8	7941716.878	11717916.93	8993718.747	4490629.651	3922439.359	6181037.511	6167888.203	6433934.859	3531305.809	3435118.511	3662437.501	4058127.174	3585056.874	10741804.93	12702389.48	10551907.56	8246978.048	10941929.12	5047634.17	5389936.103	6311802.83	4442199.811	6733047.528	6262560.871	7203290.725	9852293.005	10351115.12	10473699.95	5024974.671	5528902.028	5022936.964	6298924.903	6040577.964
(S)-10,16-Dihydroxyhexadecanoic acid	85961.70152	534851.9064	1058659.387	374275.0595	254055.8582	215994.9029	164466.7277	5471665.886	513282.4708	5582381.467	289236.5416	375351.4209	774854.3352	535962.8085	351750.0799	283016.6686	972822.3329	720387.063	633431.5182	687700.5456	6725089.704	8798121.114	2533305.345	8843310.43	1043303.144	877600.4505	1078434.562	471866.9588	463738.1632	428614.1328	419832.3029	256346.0424	493699.461	834520.3441	528681.9036	653759.8637	3264100.518	1582651.916	1358005.046	463948.6837	1413856.305	324212.4303	168885.3775	311456.3846	160652.7614	2430955.13	3245685.503	2311561.535	2920998.37	2580865.142	1785655.041	307895.4535	2899322.195	2777569.201	2691940.461	1906375.412	683940.3418	346849.5986	2313935.514	2518598.817	2611778.221	3162608.504	2910620.041	1673995.351	2635842.739	464520.3743	1095102.464	1650261.842	1700326.412	1554234.872	631868.7688	2418063.453	3562794.261	1230441.552	3202930.231	899446.5755	788368.3493	2085649.854	2227796.38	2480517.04
(S)-9-Hydroxy-10-undecenoic acid	1228448.426	1099143.394	1111146.052	800568.211	683104.5017	277889.9779	262280.4503	134520.9203	266821.5657	402884.7075	420984.9402	741111.9655	755988.224	309802.1727	766547.2786	645563.7063	443706.2467	557128.1691	897081.9234	90693.80241	4402863.233	2875154.706	795547.6805	2553182.296	738116.8655	1648370.621	2781212.987	2144181.991	1619934.21	2431950.944	164788.91	455950.1451	413266.2485	188656.2047	205013.7749	406912.1734	469100.3458	294036.6597	421557.3469	539257.0923	842697.0053	633436.3135	1263853.557	362336.9637	438072.2786	277103.4934	618467.2903	668981.56	390268.3937	515202.5271	903206.5658	188733.3357	821586.9624	784257.0659	761246.5127	759591.2491	388638.1034	143115.9067	840434.9182	628688.3779	1342065.039	2201965.783	2393370.233	774550.9503	1357611.008	495779.1391	318369.2303	635783.7158	107272.0429	766995.1001	615115.6252	1102304.315	957747.0027	339704.1055	1036037.176	220691.4692	93968.08198	138778.5103	149184.4874	836614.7058
1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol	14702009.95	14095464.26	15851775.57	14002420.09	11206965.44	11060314.84	16817231.2	15635880.84	16736384.74	17146791.91	23296056.49	19275726.48	22341139.24	21711025.31	19129263.55	22351819.45	16293558.34	15995062.36	26109166.84	18537114.34	43438951.31	13055684.1	18606559.9	13106799.53	13491576.17	57436178.15	54155273.19	56269529.89	44856101.61	51904983.99	55867786.69	43934622.4	52729473.42	56556589.25	44018485.12	16567503.57	49469408.91	52340158.34	42465951.54	20801974.53	41994502.66	49889107.01	56988385.85	54031711.98	57835709.63	61693144.33	56067799.23	72167054.35	41411838.32	58371362.72	23289738.55	23666203.74	14936503.76	12868810.5	12020566.19	22306604.66	15103949.02	15755343.52	18157662.92	25182333.96	18459710.78	15819029.7	18312889.64	15880013.98	19809138.35	18067046.06	16591559.38	19017441.53	12742393.93	20094777.97	25621786.35	14910764.3	10969616.43	17467983.82	12524508.18	26230961.01	17884144.42	22814113.9	25427263.82	26536215.98
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose	4514663.556	5171387.408	3369688.16	5011830.607	5227201.539	2522399.471	11534072.02	10345541.7	13480541.31	5674561.751	3719104.806	3097848.547	3549060.676	4103546.974	4505489.422	3669352.758	7222141.317	4092508.551	4511343.276	4182183.946	1919245.743	2304762.667	5703823.588	2495962.631	6078731.515	2401353.3	1248544.563	6469472.19	3713077.306	6439741.904	8719457.291	5832690.731	7972031.905	8413303.682	8407635.758	6301341.738	1707656.555	2628045.249	3246637.089	7180147.562	9598752.155	6537678.056	4468169.737	8325176.502	8304784.487	1834079.972	2556839.654	4557089.943	1776200.676	5219222.793	1325242.904	11378475.89	5512331.892	5299632.804	4666498.553	2937650.418	10965679.81	11915682.02	2395876.594	942543.6989	3009575.511	1706017.338	1968604.76	5406961.271	2834362.926	577885.2903	2016149.715	1576853.725	4004209.128	1394021.545	3063842.272	2862610.63	5205288.123	4578251.118	5853822.536	4591253.431	6456095.922	5125688.265	5988734.514	7511783.72
10-HDA	7332283.654	13104559.09	12599217.42	12722891.26	13241862.26	4960219.866	8713577.4	12558654.32	11642838.45	12918219.52	37325253.24	43144954.32	45015528.82	30738871.75	48193640.85	19922938.52	25415963.29	21022265.17	20290369.23	19636155.69	76676001.8	62131927.21	59161259.84	56376628.45	67739581.66	35300255.5	20051462.25	33057056.77	33542782.17	35532698.04	24450837.17	11630563.42	22623713.77	23895809.6	24321912.04	4288760.368	4536914.845	6029942.3	6457612.014	5134663.013	14431516.29	6806444.763	5094902.561	6167248.402	5608345.243	17290894.97	20893065.79	20500784.17	14039017.88	21176356.13	7368948.199	21026602.77	19068308.47	20574162.22	17793853.58	10189127.26	11214156.14	10087049.91	8772445.176	9830472.927	24709338.66	24828638.6	20827926.01	27124116.59	26056370.31	4791376.569	10117789.22	9095869.68	8311364.807	10293858.38	17337162.36	14849287.83	25288373.79	35728478.05	29467521.24	8499379.063	11265283.65	15287159.72	15194611.2	13585144.3
10-Nitrolinoleic acid	6732751.276	8114999.753	10072704	9351066.18	9591180.271	6577836.044	6560774.357	10565534.52	7877545.384	10235495.66	18526511.61	11105144.31	12029914.83	12360240.4	12710291.59	12448423.68	9234214.953	7635999.685	17882917.28	8073881.538	8455606.508	6546056.546	8646873.647	7362878.836	11086106.03	11637885.52	18373731.23	13988755.56	10692102.36	10330671.09	12834213.5	10178467.8	10420016.01	13153455.86	9541058.818	18642570.88	14039781.88	23087485.88	14019453.24	17381869.38	7198991.127	15173216.51	17535327.76	14145275.51	9976451.228	12764216.73	13980061.57	15022313.2	7265274.263	13834537.35	11983278.86	20076522.52	9137078.486	9498375.835	11386338.5	17109502.97	10902564.57	8964213.604	12790732.88	17551619.04	17230738.65	10231465.73	12049452.61	10147646.89	19555413.47	14341106.37	16856898.31	15183739.91	8873018.89	16432121.55	18328405.12	11994856.48	15975209	9014897.076	15068513.03	17018032.27	10970847.33	13963572.84	11025288.82	14089814.18
11,12-Epoxyeicosatrienoic acid	1333260.094	809485.4596	2752612.469	5524092.476	4309110.126	11931404.42	2012238.29	22914994.58	4268994.817	24934258.09	13350945.22	1875753.285	1723596.595	1695841.089	1930660.038	961027.6977	740794.7306	1554244.179	803779.1858	1730312.723	8910728.747	3872100.166	2047321.083	2797431.729	1294221.812	17580451.35	8568567.84	2489983.198	2231899.424	2847245.735	14945684.09	54621966.37	57653226.52	28304499.02	49342696.15	188695717.5	266072702.5	209854687.3	113999064.3	208855033.1	4236919.438	10213272.72	7201332.99	20763292.93	20851868.87	5847819.151	11565653.74	15093484.25	11953424.76	16101833.97	524149.156	1055956.516	980149.9764	1016691.017	1180707.961	1751684.585	536027.7827	1266003.113	1469690.412	1487125.305	621358.3229	1124595.121	1365934.022	860982.9599	846293.3149	464185.1043	341293.2942	3927717.307	350338.0766	7419665.047	590739.9711	705365.8402	1683780.264	638250.9894	2067253.231	602195.1286	2617398.394	2086404.261	3255481.294	2448525.482
11-Aminoundecanoic acid	11921369.02	15646332.62	18209421.21	12591200.84	12715116.74	9655375.818	11204890.69	15059622.79	16734552.76	14174202.53	35663581.77	18047321.6	18957784.29	16589103.39	14881781.02	21241487.45	15113523.15	15758414.78	21134059.26	14535747.28	8321861.908	8497252.574	14138329.54	9312939.945	14457587.03	15156315.41	19397498.51	15320651.56	10798606.1	14759375.92	18595742.07	12454802.94	11023017.44	15468227.24	11525333.22	14227197.89	15012907.19	25379679.02	14766884.02	14001537.51	10748838.75	15749218.36	17863601.39	13982942.74	14277310.65	15479644.84	22406324.32	16782702.26	11048075.17	18576096.99	15256538.82	30240947.23	14381677.24	10588324.93	13552099.72	28393137.14	15706731.44	18929896.47	20519600.25	29029632.53	23649507.54	15336588.49	20695568.71	15361187.46	21307009.14	17393988.03	22233425.3	16750534.15	13560240.09	19207641.62	19125507.92	14536954.28	18612151.34	14285140.31	18668043.06	27764527.9	15723790.46	18038696.74	21642442.31	19269089.08
11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol	4646278.684	1713192.147	2827638.414	2253901.577	2212732.863	41728.23512	317152.6371	123419.7538	56341.18849	225727.6975	265086.5046	128042.0922	457161.1614	345151.4998	184971.8356	72759.3159	39532.36507	56064.16681	31996.57347	90786.75048	496498.2766	1409348.994	1659853.314	1284086.836	1611461.587	348767.3634	127515.6038	237567.1984	418875.459	224387.5595	1459956.314	1362476.201	800998.1248	894347.0154	667526.2804	87743.10754	119344.6891	135007.8825	115196.7	89237.78719	4228903.269	2239528.292	119574.7374	1871937.376	2229026.27	490294.581	2520528.385	2331684.295	1152756.344	2598526.198	1667239.494	2484631.642	1899054.934	2160879.105	2190107.699	64985.97528	255333.3821	386154.8039	65601.17451	82256.37348	757714.3972	2002930.137	2106622.849	1124828.451	779826.0817	66914.54395	51980.82531	35007.02367	46651.26603	39192.14517	3902179.413	3326420.476	1314355.469	1679209.374	1495414.417	31273.44763	32755.10859	85795.16091	81768.12678	54281.20828
12(S)-HPETE	296561.2777	674423.0566	1135139.223	1711137.134	1677747.031	1650472.813	378379.8826	3258098.382	913182.6279	3638827.519	1513708.458	1345246.965	1254983.11	1484039.599	1380107.336	1309564.043	2204041.515	1090949.763	639781.4435	728904.058	1770045.377	2022701.862	1782419.803	1627286.843	2003822.358	2147606.588	1287806.385	576834.3034	443761.3223	134188.9438	1355834.717	2849571.762	2332290.455	1727830.043	2188006.044	4869046.374	8823939.207	5672840.577	3382411.901	4600285.659	497246.8779	565227.8239	334591.6675	1167919.938	855825.5988	617359.2753	1030825.419	2187844.848	757989.2214	2089030.519	1993217.187	584384.7891	1726204.686	2218479.293	2409256.501	399856.1236	1437309.409	613644.1353	595638.0979	579526.6174	2883128.528	1893783.969	1550675.961	2443065.044	2770402.183	139155.6658	643916.5158	1004489.854	500745.114	923829.8567	1598240.792	1874730.182	2355687.848	1949677.219	3433662.452	508238.034	780451.598	652424.4292	817287.2919	754970.6074
12(S)-Leukotriene B4	319107.5778	1108558.735	1295472.263	1071290.936	1320553.041	557076.028	1009898.991	1627119.939	1006998.769	1017619.038	791971.1251	1003646.881	945327.3651	632198.371	831550.2529	175525.6994	690783.983	896009.5169	490124.7969	572210.123	20763175.32	11879306.49	5576836.255	8704606.112	5655616.066	3183798.054	5936995.597	1349211.247	2202207.313	1460493.256	1303037.775	789610.0555	1038521.023	856107.2776	919082.3085	694488.3673	581859.6774	903064.5377	708017.7668	659071.2038	2528290.565	1461463.905	1196188.697	1634250.852	1451117.062	1042130.398	2087461.858	5906256.884	1235095.876	5753733.158	1822843.461	1275293.793	2572757.532	2273798.659	2312862.248	2519367.953	1013322.175	1337166.365	1816337.999	1628861.928	2240970.291	3240778.536	2945419.532	1710227.386	2127508.379	649238.8989	690866.2329	19224980.73	677537.3625	21209756.45	1067789.103	734990.1739	1727762.669	1128949.694	1903593.84	403875.1294	1057409.371	805056.3853	1460363.626	975553.5744
12,13-DiHODE	33534048.09	71941652.12	99942670.5	88539437.93	87267443.9	52399795.38	37883785.01	198975719.4	77515137.9	163855913	76119169.12	89969217.15	90325297.94	71564102.87	91000089.13	72367688.8	70972653.78	65096680.14	59719570.72	71676342.12	263259097.3	306281746.6	156702622	353449155.7	148274678.3	116239003.8	129124123.3	74121379.2	85433918.7	82291701.25	97723335.01	43587940.82	67148683.98	63220653.48	68115572.12	50541026.45	82439335.24	105108270.6	75623635.26	47120889.93	61907204.63	59430116.77	52227060.5	40734224.72	41510662.87	106088877.3	152475760.3	88744228	103113719.2	100194583.8	120359878.8	84409983.44	98772857.88	143610669.1	104655868.4	143434026.4	102349117.4	59491574.85	126790179	109154832.9	169270953.9	173606414.3	201220266.6	114809022.4	136312870.4	84906742.26	72135593.33	132780624.3	93754610.1	135961876	94919937.96	115733454.1	168649100.8	105639229.2	172530399.8	106617519.6	95825891.88	112699449.5	100010634.6	126394744.6
12-Hydroxydodecanoic acid	8015750.165	17469647.88	31096323.42	16165714.75	17202403.34	6002913.254	1383354.79	46443884.96	16637151.19	46928972.35	4529062.562	4616335.33	4407526.253	3770368.226	4109242.179	2179388.688	1658612.6	3778702.145	3910157.93	3586444.325	214632995.7	286376136.1	108427769.3	272935699.3	104358366.5	56034951.67	61830216.13	21191518.02	34954111.97	21901146.02	1731637.653	6141796.106	5182684.856	5090995.216	5201178.062	5278531.33	22696531.62	14944812.39	8651615.816	5033613.33	9040954.832	6391624.066	7244572.134	2184673.923	2110128.606	12406417.41	14833061.82	15180791.38	17072023.68	15316171.64	14222271.05	3830692.229	29996264.57	26054327.87	29621449.83	22301100.31	8412680.434	7013220.999	25564588.57	22056674.95	24084907.81	41202037.62	34565535.71	14580473.84	28095349.35	26867900.19	10473653.12	26419613.73	18391518.84	28377639.55	12558449.32	26871608.32	42183944.56	13110695.94	39835024.28	10104529.01	13985588.42	14112469.06	15731067.2	15387261.39
12-Hydroxystearic acid	25587544.61	26636161.91	23603343.47	40752043.5	40024922.74	25065525.48	22461228.43	30083029.98	24306650.54	41285412.39	39298674.78	37233109.14	26654138.37	30737035.51	32327334.95	25887394.72	24502187.94	20057557.32	27431153.93	18974089.19	109131128.4	124081089.1	57178544.68	131092592.2	55168564.87	53075868.08	49684150.44	41172594.1	33487656.44	37565119.34	36884146.68	33854064.12	37940157.68	44693118.35	43982074.17	39890289.09	35122955.11	60769669.79	39246457	43402382.45	26777488	38359548.69	31231023.26	32294866.09	36778352.42	41127500.15	57438843.96	45349415.22	44199290.84	53664523.97	31692712.23	35430422.63	26465800.24	25303853.15	28061208.54	39387179.1	29082880.62	30688623.41	37940222.55	36870645.18	49649359.4	55265576.52	88357373.4	33132435.02	42382535	42494570.41	61631789.09	55353590.41	41895657.22	55551473.34	36027533.45	35615487.32	41961434.32	38459679.58	41845299.24	69772739.13	55017905.68	68559584.62	59589858.68	73836149.9
13-HODE	10819220.86	23547884.13	20204095.93	23070883.43	21587171.93	16254411.05	14325022.18	19960733.74	16674889.04	29412139.86	27958198.73	35595875.22	26790732.87	25990202.17	27237120.85	21313646.39	22226319.44	22023298.32	22647722.7	22910178.8	67242710.2	64031106.92	25951331.75	36886783.32	33802365.3	27819976.68	34452468.44	17012563.03	13574965.76	16714077.96	23685399.95	18017731.58	20279036.84	27855875	25316853.97	15586949.67	32721951.45	33364835.31	22937424.36	20200421.66	27795895.4	23569923.5	22577989.18	22405986.78	17248745.95	18271682.27	36025849.77	21529232.95	17068267.65	21286017.27	20871256.7	19703764.13	30936887.7	26184154.84	29302269.48	38561266.99	24888355.76	20031126.94	36389159.7	38771922.61	44246381.01	19747350.36	20324745.43	28334391.59	41715820.26	28495801.76	6722266.383	17447823.68	12747073.6	34733829.5	25263968.02	34006814.17	40139085.06	19249032.4	57625849.2	24094410.08	27835158.61	10485186.69	28861272.49	27974810.48
16-Hydroxy hexadecanoic acid	7541101.511	18891480.23	20105168.27	17151091.58	17477096.32	7566578.487	3155470.263	16445865.16	13343956.64	16079144.3	3517640.404	3762276.776	3727293.402	3800415.135	3374085.348	3282708.5	2044842.234	2546560.559	2591389.372	2994925.764	22567535.68	32635090.15	18948825.44	22421829.86	17771751.04	7827483.817	11125145.49	4388158.569	6073711.269	3762229.29	2677896.35	4292349.721	5221925.829	4884748.21	5091932.39	3824962.961	6086597.638	5532887.212	4765091.257	4146243.22	5839617.614	5989344.675	7292720.764	3369188.292	3580299.766	6298038.391	6969560.506	8577489.89	5953962.869	9254530.77	13927613.79	11463128.91	18906838.31	20972952.18	20596308.82	9959449.478	6703132.766	6921864.236	10422490.34	10904557.34	29296767.11	40953261.96	40307571.04	17912542.45	29345936.74	23007865.32	22207574.24	32610461.05	20275238.3	36507707.79	22774665.68	16317004.93	17184817.77	15821056.41	15176382.03	26189260.31	24663759.96	28236734.47	31003936.23	28578239.92
19,20-DiHDPA	1112210.851	5090356.881	5388502.194	3669811.513	4906217.31	1703286.737	3253727.708	8142082.691	3393446.999	8925881.748	1543613.938	2247455.204	2733477.542	1939625.933	2272876.01	1534342.246	1491482.575	2042782.254	1368255.725	2429055.348	71153163.93	35422615.32	14656000.68	38183743.96	14297177.9	12237128.65	14552632.72	6185841.198	6635968.219	5808000.195	2751844.674	1688413.463	1849507.423	1589846.884	2209443.232	2124702.139	2321228.466	3376404.403	2930040.799	1892184.203	5822964.085	5339157.011	2464170.88	3415372.183	3996755.182	4889331.712	6389994.352	18014092.15	5135122.5	15327302.87	11814306.02	4767515.437	8382025.743	10223440.97	9102644.383	19966371.09	7184532.915	6546663.894	15944136.08	15719592.76	5494085.948	14403892.97	9653891.061	2713121.337	5986122.844	2438681.657	2464632.675	4823325.273	2424576.898	5989480.255	2696374.156	3292146.736	4265141.636	2796193.703	4454244.631	1364656.303	2101564.505	2140319.651	2585656.131	2972030.494
1-Aminocyclopropanecarboxylic acid	13180913.79	17466860.22	15459379.8	13668005.77	16133522.61	10586311.86	18571903.95	5238266.659	11876484.3	7242629.373	17631176.94	12637179.7	10938965.86	10412200.1	16461639.43	9250935.027	7915071.946	8358462.946	11059152.09	10223861.57	12162776.53	14898299.61	9752481.749	10277070.5	14661849.66	12862226.81	9218233.562	10234709.56	20221489.58	7917057.802	9283318.941	6035026.173	9752302.954	12761010.88	8011239.397	6386619.771	9315774.803	10766076.03	5385704.413	7979971.813	12303268.8	9352176.909	15269609.03	18277677.3	11103500.84	14934931.83	13016218.68	13542117.3	13751958.05	12998608.88	9849938.018	7107353.5	14756873.47	19523284.35	15561320.81	6460765.207	10746402.07	6767078.346	6983022.969	7928372.983	2380410.268	5632993.016	4299512.841	9329198.396	5781169.032	8084450.58	4554725.599	5934791.215	7653146.655	6237358.729	8129435.615	6710939.511	8066255.138	8938058.998	8749499.199	5059255.595	4252924.032	3806782.641	2445345.164	5382019.087
1-Arachidonoyl-sn-glycero-3-phosphocholine	2751563371	2490068521	2793229555	2905540388	2987949321	2058100643	2304341570	3897674016	2533201090	3696745376	2611354737	3175596480	2985805464	2545427383	3392930589	2912281686	2505634592	3760243690	3187284749	4096991773	3542307831	4477079254	4564058733	4422703923	4848479829	4059626040	4098319848	4314868572	4365859269	4413366248	2230882369	1815250610	2291753784	2013324199	2249956196	3050090624	2836168103	2530342317	2245825163	2687322659	3134705097	2556757663	2328333694	2270148301	2356496339	3631734411	3042934358	2887201911	2956352334	2940061408	1714269822	2008013165	1789751552	2078463994	1803269755	2028554197	2179422329	2571415357	3023959468	2084961676	3041340311	3801702049	3637449105	2420543481	3124227790	3148254034	1996245520	2089147273	1826202083	2243705762	3325546660	3146301840	3150576337	2500267288	3497692376	1633478174	2011928834	2111933378	1989608981	2046315365
1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine	579022403.1	444028518.4	452415246.7	537031496.2	519070650.7	386416642.2	526550272	396377915.8	228612215	374237501.1	348063662.2	442465643.6	453357161	333580350.5	403254745.3	494339577.4	414135074.1	424216896.6	439853609.2	465054739.8	466171003.7	471704518.7	491320893.9	477328179.3	416835295.5	539609654.9	283099732.5	460097222.5	452682375.8	454480011.6	412755503.4	225920281.9	476269933.2	385588660.4	508991914.1	405728307.6	445406493.8	308362008.6	456211398	300272335.6	433343779.7	405038081.4	344231259.1	390671443.2	378578134.7	465478677.7	419290075.6	266136434.2	303718577	261111465.1	314571227.1	599475187.1	603439746.2	669314105.2	545886648.8	500690930.9	330113280.6	387685982	524328864.5	455034460.4	454616594.2	462197870	465080583.5	475476988	446226211.2	454092613	392672625.1	323358599.9	335481191.8	350703433.8	416614243.7	423909029.5	469573372.1	434378438.7	398536606.1	333375061.2	465692629.7	451569620.7	463027484.1	446807069.8
1-Methylhistamine	36770045.48	14855277.51	19091028.02	7066668.199	6471369.828	4044228.782	7011645.678	6971939.715	4936355.043	6295566.82	27707851.2	23970104.77	11124976.48	14995973.42	21893579.27	4546199.972	1166150.176	1087552.218	1136296.5	1115879.611	2159716.979	902522.0048	4613638.846	681547.1782	6000989.148	4388532.911	1460424.959	3174627.21	2299314.687	1922674.802	13233109.27	13601485.72	9680294.622	20936118.91	19339042.71	17451400.43	16709627.11	7852379.095	10951016.09	18084877.78	20154134.01	18165003.7	15822958.56	15138689.28	17760891.64	12892412.42	9209640.159	10171493.2	11008611.47	9907698.28	1474936.452	11398181.89	2816002.85	2610116.523	4061798.692	3008021.965	6003831.773	5076847.301	1777884.576	2730503.843	944833.3533	1359940.441	999257.0934	12596247.2	1052537.251	1209354.625	2793835.679	2233285.46	2982172.229	2203656.822	1261664.183	3194900.46	5765881.445	6195459.497	6417716.199	982338.8985	2791019.871	1808315.473	2933516.98	1979237.531
1-Octadecanoyl-sn-glycero-3-phosphoethanolamine	134061505.4	115236874.4	108500206.2	120404624.8	112327372.3	133124131.9	83777010.46	117240813.1	129050278.3	112633986.3	107528891.8	77578385.79	134246156.5	87928716.44	75844856.46	138183704.5	98871745.72	126250133.2	124756795.4	123286765.5	125580331.7	153314418.9	148098112.5	131194466.4	112956224.9	160727201.2	75224746.14	108256359.9	130051884.5	117541862.4	93196859.55	37149315.5	90935233.47	85270153.28	102757798.9	68339866.57	103772190.3	75629956.37	94689284.06	83274566.38	95299991.77	94153555.37	87396858.92	112040720.4	98182622.26	113756080.3	101949976.3	53312612.3	108874413.6	59778704.4	77432556.56	127251748.8	96127796.15	91493347	84323164.76	137204006.5	164792796.5	226596829.4	158740280.1	157975853.4	132586479	101177412.6	108977388	106189501.3	134163083.6	104897780.8	65162596.6	92949078.54	89819330.82	96980463.16	88730276.67	142802237.4	122359527.2	100811511.2	173119788.5	98836472.14	91442171.32	157300295	105378314.3	90574418.56
2,2'-Iminodipropanol	202876314.4	215053279.1	124661202.1	173580125.1	206369467.3	22879172.85	98556803.96	43917757.02	32861741.28	39572362.54	104488499.8	96323098.34	185220196.6	151484553.3	158905378.1	37254072.14	26517024.16	14693305.99	37021101.04	16470202.64	349318005.5	490739625.6	171712369.9	483321786.1	156020866.5	58403061.48	38887667.23	55501030.16	56527035.49	49634794.84	813411413.8	128792701.3	175591330	272310512	206876927.2	41870896.5	34014164.56	18096282.69	29540919.72	38344222	552563116.4	304973768	181406200.2	429677790	464301043	38695289.16	93098911.44	424349194	35832947.56	430797776.1	51000604.1	622172766.5	81705099.62	91138179.01	102007209.9	32668984.84	40525752.43	89652893.97	21931626.88	37725640.48	257705064.2	42520716.8	47752551.46	409816901.1	226674451.3	12005720.85	27264016.01	10617595.44	43736460.54	12220332.33	252391729.6	613035132.3	366991753.7	564727689.2	307868032.9	21715190	25785083.13	42299162.78	47977961.94	39716429.87
2,4,6-Octatriyn-1-ol	30109912.76	18176375.81	14521179.67	14200361.58	12699341.99	4152099.676	72522179.68	20741313.75	25383726.57	22888023.11	55555026.57	21981583.07	30050513.27	19982218.08	24619834.83	20499820.13	14503309.22	15879707.85	17678248.52	13928329.76	21343924.75	12484811.21	21871712.03	12043678.24	19674755	18159964.75	27944378.61	24634214.86	18709655.83	22843808.4	38150471.82	16565781.48	33789843.22	32809265.96	38986078.35	50279493.22	17209452.05	19703944.52	34665884.87	38949518.89	23165029.2	27935947.06	11900259.15	41023263.41	35122110.56	19079175.32	18409395.06	19472107.54	18518374.76	22268364.86	12115004.86	25778417.18	14263796.73	16333652.73	19636381.49	18899045.49	15628294.61	29032904.72	18188515.72	15812920.43	7865295.314	9503292.915	7487624.85	12432035.75	8501561.349	5784057.882	8980867.599	8031668.226	24790193.48	9509272.14	11064563.82	10152974.21	11941775.45	14527481.98	11327760.1	6780108.723	15541173.49	11842778.63	12161219.84	11889006.09
2,6-Di-tert-butyl-1,4-benzenediol	1291740.594	2432646.509	3203476.889	3518342.418	3158941.933	854908.9396	2420777.734	3128907.63	3583794.731	2727930.485	789608.3222	2078478.358	1794248.492	1479800.979	1041931.327	2926848.01	3774528.164	2607093.525	1863366.936	2697165.594	7152210.434	955733.9226	1478034.456	1602470.777	1462901.547	7866229.045	6468164.006	2329784.701	2032709.184	2743471.248	704420.5794	585971.3422	815746.9078	533892.9649	929172.4575	1565516.84	3081555.644	3500664.049	1712904.549	1361166.044	970112.2774	936933.2419	995701.202	1328437.163	1309623.034	2768762.937	1432706.044	977291.1495	1665830.591	1689873.178	3184910.502	1165682.316	2256556.384	2251118.091	1048363.484	3836720.797	1991808.021	1747751.495	3564810.563	3904449.853	4106365.521	5976401.931	5338438.185	2188087.187	4198375.073	6227583.861	3382407.967	8552925.983	2151130.708	8994898.732	928120.9282	1415077.535	2046707.374	1638948.949	1886990.589	2504588.262	3217920.124	2883105.364	3167848.163	2369711.785
20-Hydroxyeicosatetraenoic acid	97621.86805	150122.4371	109010.0983	713630.9283	97085.57995	453638.6699	192077.5844	369615.7917	156006.8007	1123406.453	400243.6647	430042.2233	570585.8215	322922.6683	398560.4989	153373.9277	45736.56876	266035.1407	375296.2734	264369.9753	9340179.039	4208750.637	2118760.053	7318225.857	550505.7217	1502379.975	3125618.158	492633.9147	347525.4848	248639.1533	254067.0025	171561.7089	188454.0829	219147.1021	431769.0189	914789.0259	672516.4004	611816.4675	770497.5303	762278.8737	612249.3927	185794.2332	226358.1875	526750.8319	382770.0997	303716.7017	1054666.799	248822.1305	247584.2506	1725517.806	194443.527	130397.6265	955436.1618	792198.0689	759573.638	139544.9724	77680.87176	88510.21269	913832.5222	141670.7955	152632.0374	356834.5547	2830083.313	736698.0177	1486492.938	210307.0266	98475.99048	639827.6788	429803.6145	1388589.183	437126.9083	193482.009	1624158.24	561594.3451	578015.5777	447078.0943	286583.9359	478414.0618	379929.6265	442943.3542
2-Acetyl-4-methylpyridine	27425141.3	14721209.46	11124131.09	10963089.9	9361037.771	2107682.044	66816739.11	17537083.21	22464652.89	19826431.72	33521764.81	14876127.08	24175698.2	16096702.71	16077361.07	15516209.97	12438663.6	12925526.33	13428615.66	11320347.56	16926363.64	10315622.61	16959096.8	9759911.5	16248357.54	14391494.92	23376963.52	20404980.36	16694349.25	17564611.31	23403311.37	14225838.42	21825759.99	20417184.55	25084025.09	27243642.45	13943387.01	13788464.98	22297601.12	23689640.81	15397307.92	22607124.56	9660158.296	34106508.7	28624718.9	13176695.44	15614238.9	14604104.1	13376173.51	18419428.29	10407403.77	22250466.31	10579122.93	12720821.19	16281445.89	15056062.09	11593701.92	25576357.92	14503505.68	12289253.17	5947188.789	7591127.166	5713558.83	10278673.81	6404349.828	3759917.869	6770933.329	6428969.428	22408107.99	7502804.286	8501429.193	8096895.375	10264264.53	11958122.03	8959389.059	5555808.389	8444467.608	7975182.559	9887576.433	9280738.098
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin	6819736.263	7568514.946	5958443.619	7284379.331	6484962.356	3986349.618	7897879.694	6837895.287	9565967.934	7324246.557	13143819.01	4994317.776	10183361.15	5384001.549	5423109.069	11494526.72	8225919.92	6951403.345	11559307.19	8514776.326	24016247.02	4436302.453	4538630.206	5006761.46	4496786.862	37629234.17	27127863.8	31009451.81	28234693.87	34480795.15	38901813.67	23670792.09	26433941.93	35953212.42	26027642.88	7805884.386	33885548.11	33366625.69	31015577.36	7717534.636	25733060.21	33080345.12	31949331.31	26049124.73	25508140.38	40992290.38	42725517.79	35235217.54	24944650.26	40430858.42	10230504.14	15328288.95	9076581.279	3516952.48	9330526.829	15614458.41	7780165.686	9348262.397	6702119.974	15417714.43	12415285.11	10271089.37	9130862.365	8887096.007	13045285.02	5982512.079	10909274.62	4785003.385	8237592.827	5279054.44	15733623.04	7489404.932	5114573.26	11248878.54	5398370.954	15182601.7	10209439.97	11973778.35	19339567.9	12978942.67
2-Dodecylbenzenesulfonic acid	38467432.25	39444169.63	46959996.57	37834529.14	35182647.7	20225084.21	27526056.44	38162187.81	31664441.5	36998536.32	29991831.19	9006219.092	12072876.88	55504413.83	8050225.732	28831155.65	50229861.61	28284130.39	58393313.76	38248682.12	26748454	27890128.79	26789041.78	34071084.62	42059675.31	40861907.7	60831313.9	24906096.57	39463398.17	44675547.94	49501491.83	21477643.12	25448690.38	43883172.34	22792123.27	20419372.13	49864778.75	74386980.71	45204365.75	17267168.65	33297482.14	24904479.05	49377815.06	47558219.9	47394454.87	21217857.69	29756218.17	15147041.88	42115728.37	45943705.46	56619647.5	61032053.23	29059956.77	38208447.94	30276126.42	68498241.84	40124580.81	39692636.02	68128409.87	70756339.53	72032486.54	38099389.91	52189518.71	45615279.75	77826252.61	13673399.39	7461424.75	55188856.85	27576095.28	68454165.5	64667715.85	46789853.41	63685165.96	49249738.58	13946917.04	10522154.25	58610299.92	24894770.09	6944641.38	72085561.52
2-Ethyl-4,5-dimethylthiazole	19061958.52	12664649.69	24440027.17	12251412.58	14145571.31	21295087.42	34421588.4	23365909.5	38449179.85	22619053.69	11160591.74	18617315.4	22275357.88	18456920.66	18775145.28	20932738.12	25382897.59	20778422.33	23402975.7	17674108.87	4378823.163	4890499.926	3973120.323	4428295.538	3797741.299	4633801.842	5214446.756	5713786.484	4646013.222	6812380.619	2673832.455	3272770.424	2760063.074	3114405.183	2949469.481	4304081.631	2237471.824	3155847.191	2892199.319	4159157.374	4879079.033	5254759.293	5563287.07	5860511.665	5560475.305	7960194.737	7696551.256	5787612.578	5965706.548	6826331.436	6307039.438	18361852.1	25932972.88	26695229.81	26430013.44	11677883.34	23375670.53	31514667.32	23361649.22	22945374.13	24506333.09	24722609.97	23251060.59	23701199.04	21215355.45	5274273.593	5116385.779	7788795.552	15403569.15	7776629.56	13274264.01	14867708.74	13279966.11	13259100.47	13757438.92	4213072.382	6445128.793	5413694.149	4980343.303	4724965.652
2-Furoic acid	17253340.16	12825032.22	13112892.72	15955225.5	19411464.25	11393795.92	19971852.36	18534454.89	12856301.06	22110702.78	6078074.086	2854608.112	3944774.131	6087156.856	2406100.836	4936748.142	3456525.483	5873270.204	2668574.783	10625405.96	28590147.18	5569247.025	9515102.384	7259942.871	9270532.525	3065725.133	15813827.95	3348835.909	5713395.629	4102816.15	6648632.999	4344077.456	5759222.046	3348380.053	5281793.969	6066389.527	8984771.658	8258051.312	8620252.948	6678755.709	18930078.33	29678935.53	16687630.5	29725277.14	27062492.58	5992896.773	8573713.959	16696325.67	7929285.543	16883589.49	14822737.61	16162798.53	18831279.24	18617554.21	18786860.18	19730149.38	15056957.59	20330033.53	21881235.53	23890341.36	6141511.624	18667926.88	17537462.15	11503666.94	6591263.619	11914847.6	8685815.989	13227414.96	9603127.119	14316213.25	8824080.701	13880723.27	13497531.6	16416892.34	14729237.44	4643550.93	5404413.63	4201669.43	4699789.253	4362216.57
2-Hexenoylcarnitine	95023.44701	435046.0394	424333.2432	191590.8291	269139.0637	1312442.695	2340163.124	1569967.303	1835084.228	1881049.335	123398.6693	114807.3592	94861.3966	64380.90795	126800.839	1034871.939	670063.5222	1357382.823	1247036.079	1120215.527	839892.2041	55269.6463	215931.0948	544313.6565	254352.7867	996105.6687	448089.5496	691615.9345	687895.9888	713071.1208	121556.1114	122991.9188	382780.8435	124755.7447	261683.9481	820304.9982	942631.6284	925440.972	1323186.263	1069480.773	184269.9138	367075.559	627060.7049	401563.1782	438108.6324	980570.4329	933474.1376	556029.5661	656965.2714	537900.1098	164628.9922	446616.3214	329742.9368	365569.1181	347230.7614	2902296.334	2771850.031	1361153.841	2892925.737	2440570.759	229010.6823	340866.3816	434065.6023	228070.2551	223531.4457	2825476.849	5155505.933	1732014.972	1196681.174	1965411.62	148224.2095	281459.0782	247636.0157	309194.8869	293989.7736	974607.0209	356738.7424	825914.0194	888016.223	1082474.275
2-Keto-6-acetamidocaproate	2868698.78	2720667.462	4601798.825	6943310.302	7019489.142	3610635.444	5269937.653	5395607.557	3409063.123	5434940.596	1579192.362	1307427.045	1727537.386	1325077.791	1405718.587	2126424.937	1688315.599	2723531.953	1959880.877	2858896.851	1454333.098	1234854.889	2622052.202	1306034.035	2771443.01	1720267.928	1187570.424	2263013.913	1873662.333	3054918.784	1607214.203	413835.8893	1157078.559	1295416.959	1032313.709	2348354.912	2171515.365	2371787.786	1900514.974	2582631.734	2790735.531	4546019.271	2703825.56	6407846.149	5718110.218	2124319.995	3505687.669	3703356.684	2359765.378	3011811.062	3010757.015	3057613.56	1504029.817	1352395.96	1507871.485	3825246.996	4273194.703	5593434.669	3900637.855	4232041.961	953371.9051	1321244.996	1441274.534	2477574.98	1522286.521	2341627.241	1678948.714	4258991.923	360865.8457	3335525.054	2771635.821	1575308.704	3829059.911	2806168.017	4460393.237	769767.2028	1643332.73	1546461.791	1396249.372	1524222.135
2-Ketobutyric acid	102917822.6	76713086.16	73351054.98	70040157.43	78015818.85	64975051.42	144366968.9	86811676.89	152801565	86432780.24	133427462.5	107773652.3	45656457.6	72226017.29	96064271.68	68753437.1	89696739.37	97750820.91	84944945.8	95680595.2	81640624.51	48084972.59	109480962.7	59136887.11	109327701.6	106721045.7	63034611.03	91474052.95	104389699.8	86428683.11	105961694.8	74355736.76	87878975.31	91932194.01	90542599.36	95137681.21	51056861.74	58321403.82	76702879.4	104179871.1	104028400.9	126146901.8	82999762.02	164236353.5	162054647.4	65441233.69	63152029.44	84864949.92	73297843.55	85433324.9	59900287.12	131790128.5	64238856.57	62044820.04	66499328.42	102896147.3	111086282.4	95278185.4	106170973.7	113028091	41497217.97	59041738.1	56763436.81	62926110.13	52448476.8	65846540.15	60760550.06	69354604.47	66156861.66	60009633.87	68336276.7	62214100.09	82956969.39	78167099.99	83613340.35	58472213.06	78842042.39	77923511.82	58442339.69	72615149.89
2-Methyl-5-nitroaniline	60800534.57	88529980.58	92179721.31	104192772.7	130547860.1	28403107.89	47933746.1	61694309.4	73101777.87	63742838.06	20632351.73	39876039.23	42214567.82	42574348.07	31302967.34	25021847.62	40245977.57	39189982.94	27774998.34	45756524.75	124236454.3	64860057.62	60029296.65	52604283.93	47760933.49	170470396.9	43186649.74	40172680.25	38616002.44	37302406.46	29315050.04	55331660.4	32704245.9	29556438.09	31109491.55	25875680.9	34949811.95	24662875.41	39861350.31	37659653.43	57949491.06	64228333.45	76206590.51	87370418.46	114247547.9	21705731.56	46875171.42	84008503.58	18858434.22	82113221.42	52184098.32	80268055.84	111814319.6	114940191.9	99969670.3	38170302.15	41602368.53	45646383.11	32550406.99	38385583.27	65429283.91	108107055.2	95652246.29	45683123.32	60793631.59	79087190.97	23850037.79	42689236.74	25593026.68	43279090.4	59746524.09	50045890.98	72993266.5	72413138.56	74746107.49	18720628.79	19624692.73	18301474.43	20226098.42	19633291.11
2-Octanamidoacetic acid	4660581.142	12152640.59	21695452.05	13089715.21	16112695.58	18252968.12	18630857.71	73303390.25	19675345.67	76900456.62	1887376.988	3072397.39	5888420.139	4430175.761	2467217.777	3477180.248	6772005.755	11402687.82	11476379.21	9747808.816	49062829.3	21646262.11	22849423.41	24116768.86	23053757.8	31077235.29	72796735.66	17801763.4	18696655.31	20706773.26	876802.541	3608386.927	4211555.686	2572497.648	3974484.906	9702093.905	21603422.43	26466383.95	9698348.063	9888600.96	21010154.64	12974812.93	4152980.667	10681807.67	11190419.32	18959118.98	12716497.33	19300327.08	29854622.37	18635451.16	14930190.4	18655355.45	16740507.06	16720265.42	15581297.62	36795863.38	26019136.39	12416065.69	38269557.9	33813156.23	37455283.76	46222736.91	43531061.52	8964524.95	34599369.31	98301825.1	17965575.94	74894565.57	29867487.79	72767287.03	10172536.72	16889944.49	39549304.52	12338114.33	41447245.74	27876843.43	13302872.08	22461577.09	22556446.87	23535113.36
2-Oxoglutaric acid	107486118.1	99271968.89	84492738.85	79721786.02	80583107.5	116327798.9	108286387.4	154208237.1	118069163	152865953.6	63799553.46	39479644.27	40331331.18	44839677.87	36380873.12	89660789.55	132671394.3	133598548.7	88630316.18	155225983.6	11493337.05	5244589.882	13384046.42	6210860.22	15253752.13	9490986.355	14862414.4	10039512.7	11251007.89	9590038.189	65821584.87	14889960.59	36799259.38	28354619.28	37892224.17	50981465.33	54579461.68	55776037.47	58085794.86	56105890.97	119422075.7	127078768.1	47363714.32	150771606.4	175677536.2	71323772.25	81968858.33	104718586.5	74259201.93	118925051.9	134587905.3	120970095.4	122114755.6	128914302.2	133710701.3	206967800	181052829.6	206567602.9	175429327.2	176018991.7	48661123.36	62908824.32	81792683.65	87203250.81	48310882.83	129308512.5	104909380.1	131404754.9	108144288.5	134368762.2	123141761.6	92921104.56	77017341.86	97256190.46	66512210.61	103164795.9	138760987.2	132459431.7	160548185.1	148137412.8
2-tert-Butyl-1,4-benzenediol	2962774.319	3525926.018	6311433.308	6419623.572	6773181.448	2530872.838	3813350.166	4618896.6	5315913.789	3587953.17	3728101.588	4854833.903	4630404.427	3419657.862	4088098.804	3284034.011	4667030.911	3601560.749	2769964.936	3488862.54	10499073.12	4656457.759	5953186.104	4960615.114	6028240.008	5546142.809	5870243.532	3113859.777	3236646.526	3006403.625	3615359.233	1682452.681	3327820.731	3479185.077	3026971.015	1571631.117	1551250.525	2252950.971	2166583.259	1783005.659	2962024.05	2009222.657	2209356.402	1850280.199	2235048.861	2164926.171	2574426.179	3145621.715	1823887.181	3464209.586	3902245.753	5551040.135	6476215.229	6458178.503	5123634.596	3008128.541	3470825.333	3592773.664	2567619.295	4179295.813	7818177.822	11395082.63	11336782.61	6198451.831	6626485.876	3437869.47	2160768.996	5998743.768	1904447.953	6423333.494	4630638.205	8193465.646	7809769.693	6001693.09	8855920.945	2706205.938	2932934.657	3586975.928	3733939.347	3519990.153
2-Tetrahydrothiopheneacetic acid	2273241.439	4138889.12	8983183.033	7034207.559	6020037.609	1867321.395	3435757.721	3235863.755	3964491.983	1228209.969	957933.4373	615944.2644	635791.2917	1209572.746	916198.5395	1282197.013	1409352.692	1278851.983	945937.0652	1079234.527	3646759.087	446638.6958	663782.2983	734294.0231	394418.3713	776697.5181	2452104.583	793829.4432	730656.4648	520481.8606	248935.2802	1089855.861	1341621.787	792112.7974	905867.2403	1121570.495	2428322.502	2090798.688	1602210.929	928588.385	1452245.052	3637832.924	3158425.856	4587094.502	4123695.739	1548849.975	1963017.503	1598390.29	1781506.336	1859617.891	2016204.45	1861545.452	4690339.72	3065587.519	2377080.355	5900604.668	3154603.427	2701381.62	10183069.71	5988795.925	3129072.404	8599085.486	8953152.375	1037184.338	2434628.118	11671472.67	1807903.94	6885218.745	2466542.766	7681740.956	1636006.26	2009536.127	1825770.517	1283497.753	2113867.639	1320794.173	1524400.278	1498441.81	1406181.297	868768.1274
3, 5-Tetradecadiencarnitine	6989952.249	10046018.98	21851116.19	12753753.41	12207281.22	7911371.589	2534163.248	24087459.91	12476608.58	23253729.04	5497511.775	5720662.854	8069226.285	5936886.434	5059084.45	3606990.248	1362917.172	3690811.371	4632977.191	3485544.033	20333521.42	17302098.18	7035870.339	25387135.99	10282299.98	19628696.45	15333586.29	4825459.912	5501776.72	5620298.48	1918246.998	2190681.333	3063947.881	3233432.902	3397101.572	3821262.263	10685263.21	9323735.499	5857412.866	3832188.43	8176355.352	3725035.258	4249838.61	3095440.988	2008872.999	8002714.018	7669313.388	7913904.441	7586457.787	7143463.364	12796288.32	3027737.217	9239689.798	10268007.78	9380506.075	18313997.29	5549192.745	6510322.223	19540018.07	18071370.2	27416455.65	22364587.92	33968912.46	8246178.032	24644731.54	37278284.28	6877624.444	12768026.94	10322085.24	14864344.07	10887445.14	19842018.72	38227333.31	6991777.932	40361959.57	6599506.028	8962817.87	8465259.225	6545287.179	8700355.233
3,5-Dihydroxybenzoic acid	12414610.37	16950497.99	14666154.17	28046925.23	28166148.2	9583712.386	32169702.53	17903652.77	40285686.88	17684810.22	15076418.71	13059409.54	12378982.23	13887359.07	13713303.22	24131590.62	32260536.91	13077247.17	20394500.95	14189414.68	15584669.3	29381322.46	15611396.59	21644380.95	17604995.01	10303207.04	11759540.17	19979894.68	29033011.54	29278748.98	29490463.27	10055032.39	14546691.96	12666370.27	22151901.68	16534849.67	9088595.828	13145588.67	13365991.27	16432794.45	18215067.75	40188168.3	23773661.37	55278322.94	36166665.57	6236613.761	18611801.33	29467821.8	9188554.311	17220739	1820220.895	26848032.07	6716418.013	7269270.05	7305170.029	4859454.995	24228417.17	33855693.55	5442907.82	5798556.237	14914131.55	9385407.034	8954488.866	21807560.06	14701561.18	2872995.995	21887146.27	5872518.773	17079953.55	6047268.654	11818356.3	15379504.24	19574009.97	36540202.05	20416374.1	26017048.09	28588425.4	31292689.98	33778511.06	26476593.7
3-Carboxy-4-methyl-5-propyl-2-furanpropionate	250829.7627	760040.9347	549430.4858	800813.3931	828832.2904	251337.5034	695800.458	611264.6432	755090.1842	723190.9381	557805.0565	706934.5993	793526.2137	634290.1779	708406.1117	958972.4345	1119519.691	885996.2266	719139.1421	717833.4753	59566.02379	136227.3286	60270.52132	52132.55559	155244.8543	42605.60307	42538.99249	195086.8189	182346.2553	287470.9211	44228.6652	41331.04518	139507.0275	114805.4208	141863.3197	145817.5599	39825.24694	40407.38809	41565.59268	41912.3698	216504.1654	239612.2128	130571.6979	378617.0118	254953.0399	116466.4378	205160.8814	48575.9085	109777.225	69355.51656	610183.1424	1255220.797	950374.4839	990052.2361	1088036.193	363802.6533	584287.9543	695369.8238	344573.3993	437325.8724	901343.3938	465942.7848	413825.0405	717324.9926	814385.5194	40104.88889	32041.16841	39491.81754	28155.16438	39213.8038	935196.5946	616436.3892	1119655.306	1046451.963	1038548.108	35899.3211	49987.15797	40401.36411	37392.32987	37676.96713
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid	2895204.727	3611643.11	3741193.627	5096246.606	5121630.338	2536916.245	6132054.615	3308455.208	4673573.452	4096129.357	3477256.37	2622067.262	3053186.797	3371310.432	2760590.665	4178523.382	4729041.94	3563621.565	3610132.168	3906276.017	1614023.003	1969503.089	1654810.708	1752625.754	1654376.606	2457228.671	1763679.368	2267842.707	1841915.498	2285062.025	4225236.367	3094375.308	3658722.976	3916540.246	4332793.64	3116939.407	3949338.261	3945546.076	4775539.927	3301016.798	3356892.223	3967656.623	3316619.344	3933485.553	4365159.225	1813234.652	3032459.536	2987986.518	1586678.621	2583418.102	1611188.554	6159275.531	3712074.688	2267994.697	3293395.934	4479861.353	4828074.204	5369529.13	5076597.576	5167055.247	3457319.06	4298659.777	3071660.549	3884774.473	3913121.37	2398137.253	4038908.529	3932875.77	5336653.788	3755158.876	3535049.908	4638232.689	3122477.926	4103020.822	2990816.566	4279344.989	6233232.021	4417897.428	5583192.917	4458697.963
3-Hydroxymethylglutaric acid	14409387.35	24466666.91	24437637.2	18792216.45	20297930.24	10054457.26	32801830.01	19622110.42	26213712.46	18615954.96	6394957.404	6938309.094	10782208.32	4909901.929	9013406.025	4084284.732	4600941.703	4450108.476	3385574.365	12703759.47	45868237.33	15552656.4	5893283.286	15752461.62	5599727.589	18643436.17	23873036.79	5761454.124	6531694.297	19981143.36	10479023.55	2935206.391	2163299.254	3366154.965	8282679.853	1445855.023	5676763.393	7901196.597	18832238.54	2643560.648	24231062.04	20066268.37	11144627.63	32728501.72	16670219.56	8280249.385	18804483.24	20038448.37	13770880.73	12726644.01	15529891.19	51093542.77	34195326.27	31217026.76	30619257.44	27619633.34	18084834.86	28491205.84	38476018.09	34502001.56	7597169.452	27617659.74	24934107.73	8390303.198	7028738.123	71924153.54	9658990.616	34020908.67	18328229.45	26343362.63	9930702.382	9171269.918	7740550.995	11257096.77	6879961.224	11735455.54	7009612.054	9731772.833	6234741.364	9649621.511
3-Hydroxysebacic acid	20429316.35	20089947.75	19361538.34	23122285.25	23084189.75	16104050.52	24891884.08	23663385.01	25825488.68	25458946.29	41107097.75	29492504.42	37163481.7	27632594.86	25929148.83	32560152.48	27824177.76	28242259.89	38321612.68	27539807.74	15659080.03	20912755	25590571.24	21855494.97	23525683.09	28233015.21	29107644.72	18244931.44	22822228.2	18128956.65	22417394.6	14965622.02	20395888.92	28181934.27	22368732.06	27691838.47	26182917.47	35316966.01	20974647.45	26745308.63	19594248.23	22957991.25	30308342.04	23896192.42	22373076.32	24515509.92	36355201.4	21130573.25	22070477.05	24257670.02	28070134.18	25349780.23	17130189.13	17451781.23	18507794.65	29820458.91	24397144.08	19559126.24	24445535.22	31020538.1	39338222.96	27970852.13	26474483.86	25002809.56	33543344.75	26406432.38	25932926.35	28893729.44	26251095.68	32390811.39	36747358.95	28416790.24	21328897.2	24546278.07	21148399.23	40808939.24	25293801.78	32737539.74	40404131.4	28792179.84
3-Hydroxytetradecanedioic acid	1513346.952	2085866.241	3321719.637	3347190.994	3351706.533	1913469.099	6925815.228	3671270.097	3056642.876	4058739.232	12458373.12	12143740.55	12648449.46	10459306.56	12145657.55	7522915.342	6757323.422	6021611.086	5810422.647	6058036.646	37477637.08	33520639.04	47004430.31	37437692.91	52159445.16	16480291.88	5291629.051	10457051.7	17769431.05	10327446.69	7842095.151	1333583.152	3394870.343	3668452.064	4231479.696	828088.5808	812301.3964	1098737.217	1707392.054	1025000.078	8717752.889	4680364.777	2793393.394	8013161.882	7610288.604	3252826.278	4654907.085	16505211.04	3184843.228	17243674.6	2747991.896	7579862.083	4122930.176	3834166.097	4380398.384	1845824.594	1227741.858	3117684.888	2053433.721	1686931.36	9040955.051	12478553.37	10353435.83	5592195.114	10792355.85	3014477.975	1912718.385	2749358.956	1078255.26	3170946.926	4522608.408	4039538.261	12319745.73	10836450.4	12424780.44	1773208.99	4674369.426	3118518.986	3750652.051	3290483.031
3-Hydroxytetradecanoyl carnitine	1421604.498	2406365.761	738767.8018	3384865.3	3368451.343	1475456.693	599109.3331	881900.1647	626070.5763	819731.2242	947464.5296	575255.8951	1745294.416	874409.699	395299.1729	1654612.764	379859.9681	895664.6676	1863144.048	979485.7637	27423045.45	16647905.22	5787656.473	15804195.85	7245699.877	11833182.12	31866601.12	3073137.249	358386.2449	2779898.642	364649.4041	297796.2913	314179.4652	342999.7181	315945.3722	244830.5399	1991409.622	1611242.361	358177.3193	264598.7639	1187399.896	396341.5866	401060.0961	396826.3536	463415.9937	431513.3367	1128756.904	384529.4728	1875030.067	397598.1846	3038129.774	794781.8355	988962.8503	999037.3912	876989.7692	2788701.771	925394.4396	721400.9178	3447377.122	3239435.35	8226949.135	21159769.7	20493711.92	5007343.509	8012115.46	23653581.93	4545209.796	7908439.706	4033538.183	8696876.039	3903172.886	6247604.15	8445586.856	2412430.037	8951146.669	2481474.621	2100904.118	3463044.463	3074502.556	3526607.234
3-Mercaptohexyl butyrate	37411809.22	27164441.95	46433503.56	21793712.55	24616331.5	36394329.64	55615316.01	44901552.13	47817656.28	38030866.99	95405243.33	100764228.9	105535637.5	91301111.59	97666159.76	111065340	112496476.9	125008199	106211994.2	120064584.2	107175727.1	103764008.9	111544881.7	99746101.91	145797106.3	109350368.6	65311155.63	78914300.45	91933643.5	86499369.41	54877424.63	45703311.12	60560907.8	70096694.16	71850410.47	58915732.07	83960377.2	98550248.84	70835826.65	67113663.08	124261160.3	101364113.8	58926780.51	89294287.61	90832867.49	71841306.4	74487446.73	65338145.79	92983965.61	71252610.32	52470140.14	26264105.58	54258246.1	57212381.45	59776087.22	62660549.88	42576433.69	33189660.79	53708037.14	50654883.45	51725464.7	88637212.32	73113433.33	50724243.81	55986730.64	136009364.4	58129434.11	97379504.93	49358326.36	120285785.2	29214365.22	34210849.05	59198733.21	31874770.09	59254696.12	41111017.19	51765110.77	43981680.83	48023350.64	43657516.16
3-Methylcyclohexanethiol	1562581.141	1441874.456	1635939.362	1732315.791	2738198.905	1281461.357	1960892.848	1184926.881	1835526.506	1533031.339	947262.6525	664935.2564	946990.1631	866686.1228	791653.6874	1227136.765	1906271.273	1345358.051	1404397.055	2105126.351	1101428.434	483340.1537	999183.1662	673075.6853	987866.8088	255641.9269	675262.4261	538117.2887	726904.8049	954918.5367	527877.4114	740976.1653	1463517.207	982621.6076	1341498.429	805663.9793	170855.1424	1547577.412	1561131.551	1452418.754	1039324.165	789002.7673	1248467.231	1105204.501	1458411.894	1449915.946	1197261.581	1351303.767	1146886.177	1312264.062	1136127.091	1374973.882	1572000.548	1371378.599	1387635.064	1854379.765	1519727.477	1313988.472	1526167.918	1132648.379	518550.3117	2019459.005	1813553.152	1528986.459	1157760.26	1275272.2	952972.2322	651643.2131	1458810.287	1342697.437	1829499.631	2509033.859	1403025.827	575073.9149	1763152.584	1301792.966	510747.8302	1254659.809	1556205.947	1514267.523
3-Oxotetradecanoic acid	23496257.07	49631082.09	149650381.9	65188748.65	66669809.37	12692040.62	5740818.548	104942249.2	32594308	104251963.9	15827848.65	8299121.192	11571469.55	10521010.05	8691218.006	2191671.839	1758832.392	6736929.369	3361982.678	5365046.88	893030593.4	124788765	133479545.7	530927036.1	114713757	344229956.1	466739617.8	55035766.5	61010640.67	58686199.13	2949675.532	15262471.46	13122669.58	8765491.756	11281446.01	7387247.073	52699638.59	34827304.56	15866571.93	7801735.563	34392921.1	14704460.88	13292802.78	4780184.793	5345470.73	23350594.48	32480182.73	52345394.57	40228802.58	69141376.05	97059787.53	8626366.155	80859146.59	86621333.89	93763759.31	59603300.96	16511967.59	14104513.39	58690381.45	58891384.16	114348587.9	215935225.9	238435986.6	70665166.61	99641696.56	135382699	33241131.29	77086878.2	34988896.58	92922958.16	53746026.49	113304665.5	176434708	34279640.6	168600158.7	20040036.81	24312152	28109119.12	29057526.04	36432783.25
3-Pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile	264144.3054	257943.7535	266775.5218	249338.5746	234922.4919	303464.7981	297870.0915	294669.5188	283809.9074	284297.9631	68907.95929	67739.5611	77002.95194	69061.2461	63924.51093	85236.10119	70670.61231	77183.67681	73218.11144	70419.59513	123661.028	124731.4476	120276.9954	120909.8176	114810.1346	126604.1461	266053.1747	587579.2554	116163.2088	766331.2664	155231.688	112792.7778	187412.4737	120413.1364	157988.0408	580084.5306	117610.5009	378125.2836	881120.5414	531245.5093	118944.4264	326051.8253	572783.2838	160797.1198	126217.6648	132307.5018	154333.735	129873.6533	164251.1593	117989.2175	341042.7102	345056.3052	336329.5024	319797.4527	325823.1758	449352.9872	376340.8157	365838.179	359841.3969	348057.336	78852.95424	1376261.874	75215.86502	80371.33801	70373.51203	70177.42658	72913.76834	76124.03984	71269.75678	123869.4557	182029846.3	168587277.3	147260812.7	152916903.7	158459302.4	119550849.1	133856170.6	129424517.7	128890382.3	135617568.3
3-Tert-Butyladipic acid	22871200.67	22304563.59	30241124.2	37986383.71	38512698.69	31285661.29	61360928.21	71667112.27	79290285.73	79669932.66	20284669.14	21547184.67	20890392.21	15841777.78	20258011.59	32503472.4	31571355.67	32717964.45	37767071.07	31625466.83	32085297.44	69488200.02	39206229.45	81413102.26	36000029.95	50306214.78	95613683.81	30832515.22	30216723.58	33711573.24	18067364.13	13527384.21	14905327.41	20273961.91	18325699.83	20882982.66	19939980.91	44154578.65	16644982.1	28225945.37	31765573.68	39451547.74	35074997.78	65324935.12	59979227.43	39379773.43	29288973.67	32879118.39	28364096.62	36659046.25	18339420.1	39190072.88	25993293.25	26289271.46	27747255.85	65300593.06	52358361.71	85315665.31	69797309.5	67096084.42	30659250.47	48912647.01	45282819.19	28329011.52	33832203.38	105071409.2	57501897.59	89528554.89	28856975.19	95375228.13	18597217.97	21069680.22	21585060.93	36064395.44	24704893.54	26236492.83	39655051.22	38645435.29	40734430.61	38049923.23
4-Guanidinobutanoic acid	2318019.178	5363606.622	2947500.263	3304895.264	3290842.573	157666.2824	16628111.01	6589482.386	5008310.436	7259664.501	7054419.357	5498702.457	6776256.312	7784324.415	4526706.785	12840597.16	18912903.47	17190416.09	10135889.36	20053190.9	3349163.632	2742331.389	11987838.95	2418731.943	12171088.02	4522609.677	1348565.876	3774396.771	4878428.049	3549173.642	11383669.31	4744989.045	5674713.412	6728323.926	5112487.129	3657475.743	1719696.929	2763103.477	3067717.723	3618490.568	26796283.46	24046427.66	5423155.047	24343974.44	27540846.8	2823018.584	13546020.98	21238768.75	6641217.684	19275868.66	2536325.121	10568746.74	5212212.034	6827828.094	6326200.291	9791339.239	8974939.201	6251740.759	9678498.865	9446913.106	1898091.724	3179383.588	2320190.529	3611044.967	1967572.884	1025196.854	3943257.572	3403530.708	4208516.756	3838123.486	2543897.07	1108888.007	3126437.629	3633832.978	3098716.961	3354965.223	5535824.738	3950260.099	4309940.956	3270714.515
4-Hydroxy-5-methyl-3(2H)-thiophenone	11412496.55	6341088.06	12848285.8	5564174.487	9802124.107	14189802.29	15706043.69	5578854.921	9140804.03	7964194.192	4996674.116	6982566.362	4448307.501	3714676.122	4971334.961	4843387.152	5974414.886	4671196.402	6764587.179	8707173.302	7027140.533	5543479.792	7884800.126	4175998.3	7803118.154	7387933.618	4814347.126	8079373.25	6499969.772	7134441.155	5535517.855	9846650.96	5406237.064	8093562.17	5334303.999	5863763.025	3565782.664	4135134.819	7702945.115	7351572.176	6814752.828	6948690.896	4256635.485	5465892.729	4277382.821	6615390.832	5444224.98	5354328.285	4483377.06	5825344.636	11882392.26	6422351.556	5954758.012	4544588.349	3459748.834	5153493.023	5410060.201	5717555.332	7493633.719	7315199.415	5442936.406	6509038.573	5679156.541	8169850.232	7170691.277	6360245.137	7700991.47	5154223.184	14146496.02	5059801.012	7197583.201	7761630.075	7598542.546	9416830.812	9509585.849	7808128.083	5795157.491	7515570.382	6165854.912	8524756.275
4-Hydroxybenzenesulfonic acid	39493388.21	77422837.77	51345622.76	98191592.64	104611794	129716774.1	149925636.4	334921257.2	200916356.4	325157614.4	105055.2374	87427.32794	97377.58773	76269.43256	83968.48034	91541.46247	75604.65774	143155697.3	138594.0695	117082.6857	179086023.5	245974924.8	123628420.1	284817589.3	134039327.1	121924328.7	137195008.8	215795493.2	185348551.6	222939809.5	59598274.17	112269.8521	73585985.33	87387729.78	74917216.08	83733051.37	194445299.6	75674605.86	25937092.34	78577071.52	212278880	151347968.1	223385783.9	240637841.1	252960474.4	67740583.81	75361817.51	111979745.5	52358300.15	120618116.1	11928217.39	117643165.6	97052870.78	104042468.7	100913031.5	74659411.22	228717288.4	296453683	83879872.92	86206583.63	84364.14232	94991.02956	93454.65968	95713.22132	90800.98583	138536.5904	97359.20584	98563.25034	101357.0657	91954.37726	53574328.53	20628287.04	127743685.4	107616.6534	113409.5699	89365.48774	73667093.39	96786.75392	107213.6137	63946636.98
4-Hydroxycinnamic acid	291954501.8	215789160.5	173100991.8	135198401.8	137342951.5	12643892.41	672192531.4	266976188	317351672.9	278571044	297151642.1	148545106.1	191779013.7	241052534.4	163569762.7	203595083.8	204115967.4	233282034.5	230025963.2	236070753	219707725	114603114.4	231430692.5	112143673.5	205719341.4	195417197.1	264134048.5	226317508.6	253833368.2	290056637.6	177433746.7	228779045.1	145502515.5	146569884	197311911	200936527.3	164925376.3	121645272	174578859.8	194499305.8	198274472.4	271892916.1	174956741.7	226869751.9	279570721.4	136910494.8	160056683.5	176531726.7	131067719.6	169755895.3	172594989.9	316172783.5	173633961.2	180260179.4	147453462.1	199829654.3	164017697.1	303336236.2	180669743.3	177771318.7	101363768.7	152166645.6	79221988.69	173544325.4	103205969	97442967.95	109005661.9	118232518.2	241216582	113747312.5	123217581.3	108930827.6	158207316.7	150115519.6	150750669.6	103544896.3	97244149.87	88794444.42	138656223.3	118921211.5
4-Indolecarbaldehyde	21012283.06	13846987.49	32473063.61	65215012.56	63399140.48	82671889.42	162110431.2	187552847.3	25585886.07	186053867.1	31813629.44	21163081.02	30007149.45	25174661.78	22138546.18	93861702	141465807.7	67300815.24	69090027.75	70370266.34	108305202.3	87497735.85	97401785.29	92526280.2	99485020.73	54026178.66	68947663.23	50598200.17	59582318.32	53935460.81	45506501.52	36776651.72	43448337.24	36379941.03	41571218.76	68332027.63	72747929.96	52759564.19	45668210.18	72347801.33	122520319.6	183860871.4	143927742.9	238252975	253848063.2	45069309.54	44873454.25	77922367.85	56660885.88	74338999.97	12372813.33	43558032.94	33456593.53	29336511.37	31737436.75	27495050.69	137555411.3	337918769.4	24845653.52	22482787.83	21599370.43	20519624.21	18187783.59	39020051.14	24292227.85	33411745.29	84949918.64	59802707.43	63207879.73	63232769.27	27614175.43	16952962.86	47214160.15	98984795.76	44935512.11	70055807.41	139956367.3	68975912.05	75997881.06	78374198.5
4-Methylene-L-glutamine	95051307.78	95254303.56	83290623.4	100232155.4	104922386.8	91266540.62	198828925.2	101998714.1	129947801.9	99142644.17	164734383	119273861.1	114182184.5	134906991	120383079.1	166756268.6	174494682.3	101272763.8	149747164.1	46890326.07	57131828.11	103987315.4	78894118.45	140044373.3	75062455.99	107004812.1	44399484.57	43705396.75	53065110.33	107944180.2	56973871.55	120217326.3	120666883.6	114496764.3	41394815.58	124386172	61125164.64	62757487.28	94077163.45	81678778.79	52925100.18	252302584	141539589.7	75278840.19	76693490.23	70974896.54	73566310.7	79779872.26	69050078.3	108943080.9	85824036.53	64042174.35	105111503.7	65511171.95	75941296.31	75745762.84	127159851.8	190279350.5	85612698.84	79158684.77	61451486.5	47098621.58	71253324.06	113316468	97616388.18	46922448.51	50851481.03	64039191.09	50818030.98	42042592.69	79822701.07	82871908.24	99465157.93	52666475.18	104930687.9	58596500.8	107991456.3	65022206.13	70141688.06	67152040.18
4-Oxo-L-proline	55712266.88	79739674.49	81052611.55	80974851.66	94126302.59	69428573.05	86506284.21	169441092.9	54837588.77	167753114.6	70052872.08	54395346.44	70416330.49	67681166.65	49340799.09	46391540.5	55400833	71759578.68	58573547.43	78211787.06	95885466.57	58945588.56	52417422.96	59551626.9	61579010.28	94220613.59	83467736.95	107656686.1	84919853.45	106527233	134442500.7	56295385.66	109811010.4	99937242.68	103404983.1	94674520.95	112515131	148354528.1	121357252.2	86355141.16	104580639.1	82852774.88	82093273.23	119770095.1	97978413.29	95818963.81	106427353	128473991.5	90402033.97	126517177.4	44412854.53	81468381.89	68326033.5	69310702.33	61736159.66	102769293.1	73845363.82	98487913.06	96577537.25	105986626.5	45813549.79	72650315.9	75969466.48	63291987.19	45919480.07	55311770.71	59398097.09	36133146.81	52401068.71	57179933.97	52229239.31	43600362.43	58538335.67	58856098.4	62150683.38	36055273.86	47578237.26	43506329.84	41390765.08	43640260.83
4-Trimethylammoniobutanoic acid	17648009	15968477.74	17900289.31	12769011.19	15385298.41	24303669.88	50304865.56	13781203.63	37896938.11	12967996.53	40186988.16	48763645.5	47322865.82	45990395.72	37434678.2	40039254.1	83847750.65	53154494.9	68179773.15	64917281.53	24948762.67	19527043.18	54418600.01	18079068.9	60071980.14	54935987.17	25560489.85	44231590.94	35819676.6	37354559.84	27767990.76	35698552.6	32427678.07	34125110.77	34685363.41	54074857.32	26078498.69	32000889.41	34058372.49	57437288.31	71364713.41	98716689.19	60494230.49	106857968.1	96740819.84	33399809.42	35123445.01	34382017.27	40316885.51	30492021.91	21715882.31	14974103.95	18144747.09	16962773.21	15437758.08	21852608.97	25322371.34	22269789.3	24969725.56	22410853.24	13338099.67	17827544.87	13858929.42	18743453.14	9205275.434	14366868.97	22217538.88	24561898.64	28378636.33	22695674.21	13207297.56	11539574.73	15261145.68	19726403.02	18940843.98	24998369.79	30268561.48	15665651.35	18820195.44	16992080.76
4-Vinylphenol sulfate	3409506.823	4107334.683	3617050.55	3142422.982	3091728.636	835701.5748	3530142.711	2215173.553	4565445.538	2274826.77	2943779.807	2738256.396	3196198.261	2764052.817	2471020.321	1682482.861	3355652.115	1708619.422	1535149.442	2022407.83	3345792.431	1953996.436	3314879.798	1969357.548	3416292.333	1624826.394	2148323.591	2337031.215	2537909.832	2424340.881	1146092.789	753928.8085	972919.1093	1074007.337	1225972.166	512880.6033	436079.0865	233304.6291	562078.951	549691.7439	3044721.229	2704699.74	1522981.231	4474138.821	4510728.337	789649.0845	2218950.08	1582178.1	383970.5311	1706547.148	329349.7791	4104351.938	1647473.936	1744681.119	1828261.44	62728.94509	1970528.319	2304699.096	196598.1798	174687.5406	6457689.045	4259907.703	3466699.258	9007412.804	6826352.481	643511.0533	936691.1685	458501.069	668671.316	503529.9117	1323108.116	1528906.996	2740498.143	4816821.986	2573328.163	835584.9946	1419513.227	935296.7839	992440.048	883040.8674
5-[4-hydroxy-3-(sulfooxy)phenyl]pentanoic acid	1114634.658	776095.6332	373287.2308	1404929.578	1555007.056	445293.6116	2593501.368	1490071.63	1806180.242	1561207.436	50017.59644	50478.69649	50949.89447	49635.44274	49302.46958	324707.8425	52809.71913	51772.10746	53198.07487	54029.84464	10133598.02	7579527.833	10245947.41	6951855.068	10490553.19	3369277.455	656576.7203	1997061.92	3952846.126	1730612.871	12601660.23	2244842.53	3625688.724	3495872.738	3301344.681	1035587.116	650455.3136	1203141.776	1955166.366	1099951.354	10374507.1	7880832.977	4016286.035	9541233.828	8915062.66	605105.8831	1976998.038	4746898.516	946756.1337	5978381.687	212891.5086	6152312.745	777025.8104	560187.7598	743271.6218	140475.0858	1284788.051	2766341.177	161081.7805	139191.9998	60906.88169	59659.59394	59801.5793	64900.25982	61454.23007	62972.87193	64060.01244	62842.91181	59691.24777	60810.51484	542561.0914	52291.53134	50260.82525	54823.93855	51289.89701	57918.83256	55336.95331	1131251.645	56787.53913	1758374.823
5-Sulfosalicylic acid	1191995.781	1435651.393	1386761.682	1264943.926	1436893.839	1978582.545	2599629.912	1846947.001	2569831.841	1915747.538	1797898.441	1098478.785	1803687.842	1914817.684	1365059.707	2280967.104	2432827.565	2567072.987	1757104.907	2345923.957	2457777.977	1723560.949	1488140.67	1997383.122	1641754.991	3980568.827	3067441.849	1908453.538	1572357.571	2011965.106	1829747.927	1373095.278	3186553.516	2086896.647	3112791.145	3035109.588	3230884.801	2679874.479	6162354.063	3349026.037	2629448.08	2964862.763	3699262.469	4910010.173	4843284.793	1893754.784	3337284.59	3272364.725	3094215.445	3191695.196	794798.5363	1380067.893	1502284.933	1609220.94	1734899.668	2548925.401	2342029.771	2885879.924	2283523.757	2417452.87	1724702.491	2455702.886	2089058.146	1602841.256	1769430.798	3222180.22	3508357.507	3271391.952	2681940.347	3174565.995	1750774.713	2425725.034	1564137.372	1845038.06	1471628.1	3936485.261	2490047.518	2826621.501	2833605.384	2929716.851
6-Hydroxypseudooxynicotine	2619659.125	2637525.163	2331553.767	2436409.754	2707455.383	1799892.86	2732164.249	3145040.725	2988427.434	2650817.109	5267112.452	2933888.738	5316221.309	3105410.102	1978632.341	4639440.903	2491851.703	3680177.228	4849597.216	3593648.527	7534470.981	2562422.114	2184730.126	2541760.333	2050576.342	12146330.52	10084843.5	9903386.247	7303996.843	9446158.934	8757042	7097900.377	8926350.836	8250721.538	7022345.033	3145391.292	9850664.85	11024895.63	7356381.33	3159658.499	7020976.025	10797767.52	10850527.8	9028166.313	9030057.71	13140459.37	9489098.844	9386269.222	7770920.534	10431246	3064547.379	5625695.169	2877415.546	1782757.301	2793484.515	5672673.653	2797099.042	3520640.376	2709835.932	5661492.664	5006794.544	4288666.199	3317520.769	4001841.4	4003868.406	2711014.44	4427688.741	1904557.815	2825656.817	1844174.072	5949149.029	3389162.123	2151590.834	3542607.378	1867523.309	6258854.915	4333469.616	4438361.842	7329861.245	4447852.797
9(S)-HPODE	9025191.194	25343006.43	37936223.18	28341164.75	30497232.18	12630042.88	35145201.86	43824395.3	33742163.33	42951242.16	19505966.62	22153695.14	19683270.86	18252802.23	23448959.57	16705155.63	16292137.94	12173885.01	10867082.74	11736500.08	1287287367	631492608.3	149062724.4	644660869.5	141687681.3	141184970.8	152849254.2	27906961.28	48973760.28	28222301.46	43842490.61	15724587.98	20461884.34	19195218.58	18575620.12	15343590	14539465.4	18299338.8	14223680.25	14930126.46	54732735.41	43654085.23	14536472.88	64716440.54	62076146.99	28875534.01	31096740.64	82039478.59	30270036.14	96628143.25	53784695.93	35384602.31	79942637.9	86934159.78	85345068.93	32368987.33	22268554.16	27703046.45	33388539.82	32905516.45	81640052.06	205995990.2	207828114.6	76582475.6	75944550.27	94336490.24	22842856.42	70855412.59	22291901.22	80129574.99	19257972.5	24353764.32	50432808.01	35304374.13	49606272.65	20206839.02	27699791.62	32622827.48	30619366.03	27217153.88
A-12(13)-EpODE	2171252.119	2283255.469	3033055.73	3203619.065	4040636.419	2242005.516	2286702.307	8542166.644	5669631.845	7125606.642	3581105.637	6420001.193	5737358.462	4477106.621	6913411.489	5622324.531	8039186.655	4240295.386	2601448.822	3368619.454	54367659.59	27931259.14	11778264.92	31087473.07	11455052.27	8066671.074	7597156.91	3396899.057	3132646.649	3053344.384	7902738.534	3599110.871	5317663.389	4148521.565	3865124.903	4236843.054	3164911.651	3883953.349	2786183.576	3350372.511	3885651.848	3579351.894	1791915.562	5671317.546	3913041.571	2599764.487	3021165.801	5324680.329	3931494.714	6013356.866	5490961.911	4160547.596	6535324.054	3570992.754	9982628.47	4395340.113	4008492.024	2417098.867	2573633.273	4824590.229	10063276	12560429.87	8390980.312	11426550.24	8670604.596	4945487.135	2085385.024	4484862.074	2641866.904	4257268.096	5028814.735	5967564.907	9258808.794	8807847.745	11269100.25	3506766.367	4297028.084	2467370.173	3552430.903	5487816.907
Acetyl tributyl citrate	1877018.675	1480636.293	2784429.437	1889022.415	2036435.849	278272.84	522379.1388	518039.0118	1045864.125	256340.4555	1485533.534	1108505.002	1665738.795	1155574.426	1285939.766	370075.9721	202073.3358	389614.2798	165255.2181	155851.8502	22142796.02	5434007.344	2020222.388	5611727.173	2980439.998	1258529.761	1180408.029	379035.4206	669229.6181	618361.3442	144473.4287	607143.9369	406537.9056	522959.2584	250951.2682	370311.0549	2067885.626	1071095.172	2519755.65	369240.7152	2045237.641	1351939.753	2103244.957	602494.7207	582454.7472	746886.2527	1636534.303	2051811.463	637082.0188	2287060.377	1291279.101	807828.8925	1595018.173	1796683.482	1659085.17	895729.6545	560201.8285	304523.5627	1414111.484	1542149.926	1220753.028	5570048.362	4765989.278	1068724.068	1445876.188	1958936.418	498881.576	2847224.474	625796.7731	3221681.669	2876278.719	4437257.014	3781584.74	838798.5839	4260578.898	301322.4815	507100.5216	670104.0804	580388.3593	460740.7801
Acetylglycine	30492067.4	25810750.72	30129751.62	20609879.72	22324489.64	62574894.69	63081987.3	36671774.8	36750980.33	40934090.78	32202175.23	19992300.24	24462919.52	23240779.96	19970974.81	51386361.27	47593017.67	50420321.14	31501661.09	42612352.7	25518534.3	12734601.83	22085757.52	15024425.35	23601401.37	36721416.14	30280219.59	18367374.03	18858266.96	18119995.42	22483390.3	17248821.36	20585314.22	20010920.61	19935452.02	22209076.94	17438823.56	23938715.15	18213126.85	21523078.2	33935242.47	33131861.26	28189873.9	40956210.81	45642520.93	50488931.97	34258791.76	33436783.69	39163803.05	43495460.56	27890020.05	31897955.42	19960110.86	18391471.45	16726080.5	52512302.22	31250765.71	42576875.62	43300975.59	59902985.14	14914692.15	28972173.26	35723432.54	20139228.79	15264934.63	30665892.39	17439173.25	28150439.62	26222363.43	32163983.8	18441928.42	22165183.48	18871718.89	24091048.84	21681542.68	16217002.12	38724864.92	25357842.32	25976673.93	27050837.94
Adenosine monophosphate	3533274.238	2681508.453	4786955.468	4133810.847	3589242.434	9868813.418	5348752.259	5165185.455	3370868.292	5602798.007	13613177.88	666889.9628	1598144.828	1469871.25	1502011.979	11665231.58	2740784.385	3648172.806	2062646.315	4371561.385	3106450.324	1813458.47	4204067.207	2275675.168	4866594.767	3066906.573	4737508.481	2580562.185	3911075.454	3536665.208	1350456.734	10688615.38	35398761.96	3714741.99	39941961.32	230745986.6	222914403.2	224106083.6	171884458.5	222771468.3	2986431.271	3191382.712	3609409.496	2548264.759	2604292.493	18452223.59	3305514.744	3335395.864	18126169.49	3063620.645	3054050.772	9141051.671	3344590.042	3833840.771	3864582.477	9428941.567	28107651.75	9582991.671	8250464.561	7674668.857	2432029.248	2606496.663	927603.2318	1786866.607	1851827.915	5299910.987	4435258.009	6336397.842	4422369.585	6646204.317	1546919.194	2567950.018	2569945.771	2462112.241	2661038.474	2629221.549	1907128.893	2623108.981	3063749.017	3032464.98
Alanylglycine	115102452.4	99742342.99	386913593.4	110885984.3	250633817.5	136707809.4	244730926.2	153175882.2	137290007.3	130168093.2	165270799.5	90184259.8	190853218.2	120809456.9	101289904.2	127543115.9	101928598.9	135784826.5	141616431.9	160981154.7	168286351.3	97922157.38	135142675.9	91595664.93	102906793.6	154289098.5	96175763.41	174688042.1	140276144.8	167328354.5	109915752.7	54309166.42	103236204.3	92152848.39	69577263.85	88011163	107888953.6	61328536.3	61556048.02	83390855.67	177459320.8	176703756.8	138396009.7	180325723.4	207775921.6	159394796	206947895.5	207593732.8	127034782.5	229704388.6	154161333.4	178533678.4	296994988.8	295128798.2	165461433.5	194124495.7	109227903.6	176972118.3	160707832.1	342285752.4	107836983.4	131640078.6	120624003.7	158148750.1	101208619.7	106922028.5	132863181.8	91021149.97	139829627.9	119603032.6	85289469.6	76438140.38	120027873	111913157.8	86445336.87	72312001.33	87090979.54	168790249.8	128565872	89852224.02
Allantoin	167669612.4	154560378	162866900	212118000.7	181373277.6	268511901.7	284541541.2	226353367.4	163656426.8	241971610.8	72746424.37	67753904.67	83899637.56	77403340.87	68417067.34	87091255.96	78675957.3	97270600.21	60466476.64	104978048.5	172685570.4	77319056.23	127260051.3	92482964.43	124577082.4	81627787.35	119114157.7	97553359.78	106820919.1	127878185.6	100654804.7	147357502.9	97704621.03	95978406.64	103369597	164131551.2	174817532.4	159260971.8	128518152.5	171191561.9	139199828.8	237689587.4	266186143.9	319575904.7	384743653.1	97995577.32	128406330.4	145052903.7	74371509.33	120130326.1	126680324.4	146983356.1	117643758.5	132749017.9	113952311.1	121169737.3	164416568.4	191847007	113178781.4	110417994.2	130019105.4	153774237.8	147566917.8	167865819.1	116681962.9	193119075.3	170433992.3	127457072.7	129139756.4	122263954.7	121013296.5	149723684.7	127409899.1	120107502.8	123389664.6	74207661.31	85623702.25	100822180.2	114514443.8	103922218.4
all-trans-Retinoic acid	6382329.821	6019330.891	9874074.499	9005853.685	9886515.31	6286187.89	7311026.456	7684064.305	6273083.633	8292811.644	6210225.312	12667627.45	12805289.26	11255327.14	12271161.26	9473095.099	10195934.37	8057878.186	8150900.344	8484149.043	4686474.004	7048607.112	12114110.68	7319171.335	13765799.75	7268992.245	8825282.623	3465463.451	9137492.012	2636593.031	5857324.911	4654614.801	4407328.703	6416087.134	5884984.259	8917593.11	6280415.537	9549400.646	5514915.591	8158655.34	4012262.219	4949326.024	12576458.04	6593328.077	6964810.522	8241695.148	9689407.352	5580839.049	5478671.03	5595744.927	14861345.65	10251800.2	6740466.416	9914970.348	7517652.857	11104345.8	10543834.1	8192859.599	11670955.4	10595481.15	11911038.32	8513273.435	5577307.893	6795661.09	10624224.55	10018261.92	6088194.139	11276599.4	8116287.465	11294007.45	9428489.028	6116648.944	6417051.718	8092651.361	7180777.901	10924958.32	8757335.305	10255199.1	11591900.67	9497226.433
Amidosulfonic acid	15677484.82	15251716.18	17080520.62	13517691.85	19741315.33	9821268.858	19472986.78	13734154.46	11899484.07	16434556.28	11668458.97	5305648.795	4302778.7	7439995.332	5228640.787	5718310.352	4805977.575	7060861.097	3492377.498	11509658.64	16803927.14	5544972.85	10323817.91	7151409.455	9143249.78	5282776.42	10113624.12	2815068.459	4173022.614	2446545.398	8323498.169	7426065.774	6971651.097	5129344.222	6903348.996	7207942.579	7562749.786	8374148.661	9987896.093	6569928.041	17912756.43	20592821.67	11069348.44	23105125.71	25225556.48	5777334.387	6995150.12	13095600.61	6975427.305	12044397.92	14248029.43	26518150.34	16716458.2	16589554.61	19520734.7	26029096.12	27610783.43	20305538.18	27897259.41	24909566.5	11490119.67	19625282.97	18575391.99	21830509.69	11761964.67	10392492.01	13588340.8	15140981.3	9223625.944	13449821.09	10617086.36	8753855.298	14201082.95	13794596.76	13895514.74	7184684.001	14542977.21	11067102.84	10949131.42	9102710.913
Anethole	601398.364	388730.9094	411286.2488	498306.6933	618900.1732	312163.1799	647380.1901	633734.1907	596880.2901	722865.5855	1251051.446	435422.8207	1061044.905	644489.4137	417686.6887	964074.696	871892.5383	744916.4419	1209123.524	649301.9719	2047334.654	367686.5785	272671.5007	454735.2015	351197.0042	3529403.3	2838875.944	2390268.519	2239219.445	2711252.639	2477233.007	2398040.766	2242957.569	3393118.756	2502114.789	491933.7879	2784234.148	3235095.585	2663176.813	621121.9799	1606373.499	2833896.183	3335688.162	2361174.582	2725486.971	3727351.592	2782229.204	3271143.324	2315619.193	3330601.803	536725.3	922627.8997	425107.8543	211743.4115	476784.8999	1246814.855	503043.5489	627343.5983	404823.8039	1267338.148	1262814.228	665580.0482	737760.8357	910383.4713	1018099.706	485270.3373	834124.418	296971.3245	726950.9452	294865.648	1056578.053	534775.6243	504292.9516	821156.4911	407351.0653	1665268.538	926485.936	984063.8181	1593834.513	1057339.609
Artemether	6166220.251	3186700.943	4043134.125	3884968.157	4150445.995	335231.6809	865557.9684	311912.2045	607930.483	351087.7289	154040.8289	645025.2402	473345.8414	369684.4279	592874.0149	149329.6375	225538.9787	224909.5478	126166.2431	174615.1582	599800.901	542803.5802	398941.9752	610705.2555	385381.1786	466524.4032	374820.1519	159769.8515	305936.6206	167068.3739	209492.8395	605451.4793	463702.4453	597453.5509	540255.7608	167152.7171	119649.7831	68289.01744	48014.98837	160660.2427	537673.1527	796552.7323	542267.8169	834363.6783	1291737.581	111183.7715	286806.3496	173452.0379	181942.297	578549.6941	522109.0337	3518815.747	892239.742	537321.4093	502081.4141	270801.9162	182829.4048	1062644.042	254937.4599	352987.9188	275029.4997	250455.9456	577905.6967	1225405.574	154055.4477	163559.8965	127818.6784	175036.5986	116997.1729	317863.0173	1706773.951	751841.7771	803803.4301	1033024.205	728214.0301	398973.8677	1391018.105	305906.9015	252860.8404	333651.6128
Ascorbic acid	123861835.7	203892007.5	188343821.7	55738547.66	48663892.7	19032033.63	210498243.6	119337126.4	172576282.7	128593760.8	15968259.28	143890872.3	42738350.81	39990398.74	135064885.4	136989321.1	160561138.3	221343367.4	98072484.7	247179148	6780203.884	3985051.944	4197522.883	4830766.868	2713532.507	5378196.243	4628911.391	5498644.87	5997346.344	5450138.169	2110561.01	3578244.551	4416702.625	2713048.384	3979336.619	9411406.96	9056653.153	7747529.912	9232345.82	7883311.637	71001234.16	10197598.25	8171974.166	6911041.08	5649254.111	33263318.44	188196697.3	119231290	158451754.9	120429639.3	125286157.2	160330682	181700794.4	195054787.1	183259119.8	317946980.4	171033377.4	303179707.8	401155964.2	243667946.7	83818427.89	113059846	149269784.3	69382804.33	72674594.7	124770306	127373657.1	158609320.5	100906027.1	161089218	71193859.01	91831881.63	74315617.29	62081212.39	59876372.99	65612467.77	84470761.7	58496512.32	49254091.01	54995926.06
Ascorbic acid 2-sulfate	92409722.8	59427172.04	59051045.86	152435079.4	105541735.6	32091062	41557131.56	65511824.69	36895360.18	63623237.71	29905878.95	33529496.74	45089818.36	33968519.97	34237075.48	24032428.31	27920167.96	27973858.7	24922284.35	29068092.8	202830876.6	89604163.75	44883678.69	96950429.15	57425153.54	50083723.95	67839496.35	49582545.98	65667769.51	81982180.21	46841122.66	34302841.71	38608888.06	40373992.35	37578964.85	46481596.73	35292238.05	40681737.3	42970369.33	39047691.53	120428204.9	158224581.4	135501195.4	154905601.4	137245242.5	37613157.67	63384642.54	136244175.6	45375030.2	150514532.5	36087534.35	59430427.99	138105281.7	178216382.9	120877956.1	45710638.43	34156602.82	56761193.79	46183725.99	45742551.06	93546236.28	123611599.7	148400805.3	76534085.71	95103117.74	76042397.06	34596766.37	50600329.25	24492374.94	64085366.32	92179310.22	102268549	70556254.66	64222321	72391305.32	24190188.22	27251233.34	30882504.9	31412816.69	27844735.54
Aspartyl-L-proline	16606573.55	10202893.96	20757894.83	7587238.225	8921736.17	13050026	17300883.14	3893378.466	7957894.567	4331966.997	3621661.697	2449776.189	2727538.941	2539938.486	1977984.212	3298223.845	4077363.502	3600923.727	4569705.058	4027220.416	1471910.272	1670527.342	2468361.944	1738117.018	2271833.75	1394033.568	1052779.025	1301286.27	1629294.068	704250.9509	3196468.117	1923901.165	3304726.873	2334536.821	2554814.559	2405345.663	2476169.932	2191266.805	1857912.479	2114567.564	3389230.618	5534587.126	1685041.317	10306095.1	9644719.248	4106505.437	2105508.216	3678849.426	2351863.247	3633776.651	5697825.017	16738264.67	3105345.2	2735911.405	3380896.614	5591684.359	5540371.089	10542132.36	6665450.634	5074548.507	3699704.268	2333097.738	3114627.568	11290788.51	3366673.086	2713724.002	4941858.537	4178702.346	3917150.76	3803176.989	2926430	3329586.366	3952472.778	4434675.118	5268510.764	1871911.192	2992944.77	3811738.241	3978801.897	3451691.924
Astilbin	1081623.323	608281.1333	2376393.22	4155856.826	3175233.962	239667.0862	4088062.002	5585358.596	1856272.554	5555509.823	5645554.454	2677358.041	1953155.359	1560201.563	2182029.521	10265194.68	7117589.762	1243404.482	4078401.358	1476786.518	4048879.531	1250090.195	2643029.45	1782992.16	2478010.312	6161285.079	2915714.372	3035294.358	2320713.863	3957498.405	392394.6796	284031.9087	2626715.492	2036177.277	2907998.618	2534193.334	377755.3822	972527.9879	1337261.511	2912188.659	2412230.306	3315990.733	1485410.064	3965777.81	4084321.645	1587211.678	2066120.445	3098638.935	1800496.547	3464628.624	762722.0577	3710110.304	559429.5592	594137.1116	674249.7	742754.8054	468984.4935	3442581.972	820760.0499	987412.2355	1478551.421	3310861.63	2304155.191	1061719.282	1032416.227	1641254.308	3084250.353	2189305.2	2562000.006	2226469.226	1084899.441	696626.9493	1666069.476	9817279.456	3754778.259	3896926.54	5911140.906	9327733.617	6756755.775	7233412.091
Avocadene 1-acetate	13191032.42	10626403.61	10563996.42	12599743.33	14878562.92	8420254.814	13447583.51	16098785.13	9524750.415	15612924.96	5188356.896	3429757.663	3917570.644	5802660.81	3219061.616	5119106.622	4219784.458	5658838.582	2966059.188	7564697.156	25754727.43	6332398.474	7975142.683	6112390.026	8688924.706	3758529.367	14365818.77	3467535.559	4299918.258	3440199.504	6156073.625	3592572.8	5394272.787	4413610.958	5657733.941	6671948.12	8564563.647	8608711.364	8487556.413	5980258.545	14923169.76	23654083.61	12274732.26	23909413.45	25701743.74	6697514.881	7954371.994	16145410.58	8309259.681	15354548.14	10670616.09	11758193.85	15210955.91	15615578.72	16503260.3	15856231.42	12073759.18	14298233.56	17154434.45	18352938.26	6220870.987	13220059.48	13646599.97	8258749.557	5958774.361	7377072.75	6248485.124	9444241.531	6563788.803	10104839.83	7899720.712	10815704.98	10595672	9825726.85	10447941.23	4518948.898	4595219.523	4138613.345	5099013.81	4282558.394
Azelnidipine	13614152.79	9356321.583	21333244.47	22960621.74	24982990.41	10449461.48	15139226.89	23762908.7	19851169.46	21806129.06	12485468.09	13057501.37	19116061.91	10358329.59	9327286.716	26203315.16	12922514.95	15924857.8	15819812.75	16624136.38	2059923.109	3253996.116	4657544.968	3627413.896	4527756.606	6363950.061	973896.0844	4383360.376	1571296.739	3620720.067	3416224.301	127892.5556	5778473.39	152361.2662	6383886.227	9391523.237	404482.7667	2187687.142	4934885.72	8766186.852	10333747.89	7977076.744	1401893.894	1752577.847	1533827.985	28854732.54	17144508.65	10914179.97	19218724.41	11920992.94	12076180.27	9665151.739	9346954.539	10300243.18	8945414.937	12598126.05	16336962.86	15122190.18	12392481.81	14101564.23	13489700.55	18153319.01	19376017.6	14125414.37	14251469.82	29154263.84	37661138.81	15408007.75	14577149.13	20007294.97	18496776.48	18121791.54	11874566.94	13205088.17	15026301.36	20602080.83	14428361.34	23607944.45	30524962.87	22905820.64
Bevenopran	242769.7115	159185.8589	324748.4834	380883.6634	205773.1321	1000468.393	2789334.277	1951528.797	754014.7384	1725513.638	640905.5633	362808.742	234596.546	288882.0539	295949.749	1190891.955	1873324.615	1007373.71	1115934.338	1397599.848	707313.9186	633142.5098	742341.615	891990.4956	557048.7631	1258090.131	2541318.237	1167069.498	1309792.469	1177519.943	88638.32019	152929.0969	338987.1102	203189.75	320214.0115	884475.1501	1389028.097	575654.7634	726188.2778	522923.9934	510062.3617	870220.9896	70483.99263	1538715.523	1741350.293	749335.2646	1911053.268	1175776.609	1011857.985	1403031.473	120782.3698	790648.8554	297188.0352	289808.1978	245390.3255	85886.46411	357144.3424	1671743.072	163787.5375	78243.07804	415366.4892	162875.2619	161925.2557	121707.3915	452072.4318	1248144.301	2588295.348	672883.3741	230409.7429	808592.4527	56553.72905	439961.4726	180206.5658	710255.1924	173269.2955	1180373.682	1886715.387	1164864.702	1171182.486	1107075.08
Bilirubin	19893677.07	12366183.82	35994217.56	37305832.43	38103474.36	19613371.93	23641144.22	37956127.24	32445637.03	33257788.97	15597006.66	16878745.06	23109500.56	15487866.87	14005544.22	30710862.04	19861048.62	21563580.84	19563352.67	21785075.56	2943264.701	4345111.441	6094362.358	3817344.118	5064255.982	8624968.88	1131934.58	5832356.368	1693069.542	5407939.998	5249195.209	523097.9099	8234604.474	526837.3689	9100153.23	13500861.01	962977.8292	3351332.524	7721145.365	15072894.09	14846053.53	11619930.22	1729255.265	2047730.22	1362127.591	42439577.43	24664023.24	18452319.12	29761950.86	17766168.38	18204581.06	16728261.95	14125982.49	15175361.09	13594522.78	26117977.92	27302933.16	27011615.8	28094946.43	32229327.71	16942084.54	21155772.25	22754608.3	17864691.14	17539738.18	27215847.6	27577682.59	21453197.33	21975712.83	22615818.03	28803123.87	22967410.53	18311787.57	19350936.36	20679202.98	23846252.59	19567468.37	26955682.04	31049920.85	26125003.07
Bisoprolol	2924759.105	2556218.229	4318106.709	3200873.303	2216951.961	607688.1715	1846090.118	5247306.125	2632538.435	3848089.716	2637338.606	3126624.615	2974707.288	2447040.857	2658934.742	1058670.722	411750.2583	1703302.866	428479.3149	767586.2593	9873550.873	10098121.49	4510305.174	10502015.35	4397338.051	4545114.403	4562554.007	905199.9111	1580052.467	773670.8351	1004969.286	534569.42	1074994.085	1335453.489	1163909.628	1249887.995	1864845.129	958370.6204	1083527.339	832714.3869	1971202.674	1706365.458	821451.0833	771636.5311	882225.9934	2068372.29	1928968.844	2070562.651	1940879.72	2006225.418	2865944.293	2708640.741	3280472.482	3593696.582	3286169.665	2536471.992	2261707.429	2553685.919	2320043.313	2677511.942	7497130.298	11013611.89	8450295.353	4501450.056	7250674.03	7981654.457	2465670.753	3928454.883	2013782.207	4585123.524	4047775.969	9027886.434	11494352.76	2120096.877	11704474.33	1875962.236	1857810.421	2162348.338	2093272.178	2045835.776
Butopyronoxyl	1272900.296	2139693.938	3703430.052	5987937.269	1687226.962	3586115.032	6575550.171	9402137.941	9475986.665	8808475.527	1230675.434	1526593.69	1226312.361	1251264.475	1089112.411	3094569.257	3334042.472	5099156.607	3451181.665	5514654.099	50072016.74	9518426.592	5714192.075	11104327.44	5742145.129	29731733.88	17281199.06	4067694.304	3822397.723	5601734.005	1280400.299	821883.0843	1614513.176	969865.145	1316708.449	2990484.939	6130940.363	7152189.687	2361156.781	3135148.206	2103339.627	2441457.045	1600483.659	2801147.87	2901396.844	3647515.353	3816108.371	3734853.821	5207183.374	3629866.025	3832229.656	5276470.374	4858978.559	4297412.805	3852965.491	18487972.67	9227119.9	17464539.8	19201426.43	18208035.09	7771364.875	15656145.29	16664157.08	4181374.618	8281563.198	26249601.35	9794348.605	23453212.34	5536598.411	25309429.67	1583510.394	3075955.325	4859027.469	1024699.887	4716958.344	3871579.021	5685525.647	6054764.935	5706975.698	6059042.353
Cascarillin	2483771.815	2255101.608	3973539.693	2376240	3206138.259	2691170.929	5075320.287	5187856.562	3296245.64	2517733.754	7343853.877	8401160.913	5754788.564	7171100.466	8900183.816	5974254.266	6972878.942	4282932.22	6324280.425	4692833.9	9286691.356	3986103.288	6630416.989	4172600.639	7742717.086	10965745.94	12670236.72	8990588.117	10162475.48	8793506.75	8994161.574	7604765.418	9263369.787	11964380.46	9515568.043	8960213.633	10923453.74	10706978.24	10005900.75	7371347.343	8477373.783	10188972.24	10803099.48	12835442.85	11381274.14	13509148.2	10427678.33	11605394.42	9862851.67	10540819.77	9024320.236	7036649.735	3723265.279	3274855.077	2219594.612	8924432.519	1928491.931	4672038.215	11762791.9	8368601.995	6903452.287	5154809.318	5697026.427	5029376.953	7500678.145	7004585.868	4206084.327	5615219.814	4085991.78	5678426.772	6648968.237	5204271.322	6979347.218	7056080.859	7046110.004	7629239.407	6176360.519	7279221.51	8839793.863	7409381.311
Cedefingol	21193620.04	23637583.03	20189124.76	19019499.53	18556436	14729715.87	17404603.18	25230371.36	21579666.7	23400260.03	21950122.02	20357047.13	22062684.01	21630663.9	12684841.48	20931781.86	14802925.79	25196097.02	13922993.67	20975296.5	24740832.56	31551022.49	21580357.35	33739183.29	22609478.1	21029438.71	7727978.86	18992585.31	17414115.98	15788275.21	12003936.87	9619045.448	17801402.93	12443640.07	20144880.54	11824678.26	15040725.44	11723457.82	14961528.53	13032518.83	41891614.03	30829802.29	17310435.1	14801615.64	17983094.66	43149319.46	29185754.9	18043431.03	32353997.01	18850311.89	11007883.38	20817956.02	23447853.21	20666991.62	23033145.98	14499014.86	16112972.2	26933708.52	13970332.57	12933098.18	13967581.7	17298981.61	15861789.66	17867574.42	13954472.3	16729625.58	17435759.17	9134536.23	16136979.71	11947206.36	22411382.15	22580690.97	23780068.69	24203325.79	21189195.52	11300410.85	16069999.15	12789790.07	12591297.21	11505464.68
Chenodeoxycholic acid	812583.8308	1611509.989	2594240.01	1015807.441	1566822.634	199912.2174	1501810.525	3092449.921	588295.4863	3371475.624	1156816.349	1605778.092	1085616.674	1004879.288	1558491.293	1967066.394	124919.526	485975.204	307189.5144	374052.0811	25366737.72	2712128.448	1185229.87	2622027.125	1198232.58	1597706.644	12571187.5	417079.3095	666616.3573	462040.6817	300564.006	234906.8372	519210.5556	687702.9085	617313.3448	1326076.236	3235882.426	973084.6167	621037.1476	1350814.978	3404218.322	3232198.835	321312.2787	3812439.91	4187516.805	3666136.411	4452749.585	17016334.55	1976496.87	17962148.57	1489236.341	301434.0184	1141759.693	1523556.55	1245330.424	3174185.22	1250605.002	610520.6559	3031924.364	2505079.897	1226458.362	4590932.335	4507504.752	1180967.078	956074.6043	2699936.22	373784.7512	1336065.482	442392.5422	1589415.81	995741.9424	4585923.789	2216103.745	3730589.543	2223225.209	258018.0403	444078.0526	358776.3261	385780.2976	328625.7677
Chlorpromazine	7314355749	6991393879	7215867939	4800573697	5068226021	6659424218	13866122822	8283418517	11747663691	8855024708	2088352.408	1826840.56	473782.8574	135935.9944	1287292.107	158250.3956	96207.50156	869342.3052	140335.3565	774653.0392	3410610.929	1389002.359	168882.7084	612360.0876	160433.624	2390686.009	503596.0222	938072.7604	8414634.346	1169771.102	924383.4675	150309.567	2626757.281	1364864.831	2573504.845	4549176.841	9755822.396	87606449.18	4657727.338	4256507.223	7723607.011	4579118.637	8606722.453	1665321.958	3162540.445	4822958.805	10566805.21	5057588.745	3363191.819	4329238.173	294734.4765	333563.7706	253158.602	236250.3567	235772.0992	323795.4224	17269046.84	550253.2295	4255540.04	328923.5486	147133.4322	951926312.9	670982.9298	690037.7453	1020009.222	1504107.283	507174.3655	2196329.256	876728.0849	2105263.107	509083.1125	351812.524	106731.1325	113029.3331	106464.9758	3964289.079	7194981.022	3319506.57	3198443.529	3288641.563
Cholic acid	26118085.79	7885445.949	43170990.34	23478021.05	24196320.69	4198337.755	76101429.4	41599609	691103.9652	48551637.48	5235317.205	18953475.81	7093504.2	8176928.34	19995907.38	68029087.85	993758.5239	23617646.92	28843639.23	18796009.18	80495919.82	30831608.39	2519802.639	31393836.63	2610298.975	16549267.18	212152801.8	5880574.814	4983515.812	6632663.877	729765.4755	936612.5995	3813916.861	2483604.216	3602845.212	25523731.69	27537442.94	9866138.538	6249310.252	24596680.71	27925842	73802516.8	3027172.596	111149465.1	118912181.5	142405139.8	24581398.07	194642283.2	24243081.69	220871909.5	14717809.25	1287404.933	7354470.336	7479042.557	8107708.523	39189839.26	38683421.27	37069717.01	39321284.16	32046237.03	8359850.806	42243774.48	42831475.73	2886332.705	8301963.792	46371643.86	8876436.575	27390166.16	3798308.393	28422101.86	2230199.242	25454665.41	1678270.494	32215240.53	1724966.071	1722263.658	853900.0097	969854.1187	799178.7535	677857.6759
Choline	465370311.7	649320376	583104509.6	660037117.3	639921427.7	703455336.6	1143716014	1550437815	776705624.3	1391827711	376171885.7	422238777.2	351396732.9	383099667.6	380019998.4	413109460	375825402.1	549179954.2	418269528.3	530042771.1	439861000.2	378155283.5	598435802.6	508892111.9	623581939.7	720783372.4	676903173.6	670544315	632450701.7	769007916.9	197416537.3	202708485.1	337059996.6	244575118.5	320096817.6	402521904.1	535532638.3	497578610.4	451181766.1	350209955.6	962854834	773838767.4	585124367.9	869410788.1	721124794.8	1155371616	1017703923	859886937.8	1133208344	955242564.7	395480325.9	510574285.6	578758002.6	728218273.7	594067606	809277317.4	632886497.6	727517709.7	974377157.5	921767163.8	367112677.5	593425416.9	626065408.3	391157976.5	345296452.9	563781337.2	373340329.3	638076747.6	612710158.1	660581751.3	331743110.9	266708261.9	567912050.9	364578561.7	506594179.3	287014837.6	473771368	365540211.7	450346006.1	405437674.4
Ciclesonide	2663138.855	3724735.985	5790015.67	2489278.674	2867516.713	2084431.939	4097347.784	3605771.355	4294653.911	4904751.896	6150281.31	5270927.768	5743000.87	7266457.407	5326732.997	6672579.116	3052625.185	5785134.848	5356728.879	3474416.667	2707412.271	2302321.109	3637104.679	2634929.939	6176021.08	2262967.277	3389738.584	2285279.839	3176250.347	2443520.483	2860361.321	1005822.14	1330202.729	1691644.612	1768686.531	5266087.899	1853795.409	5374731.503	3265606.959	4078552.11	3268733.933	2184309.136	4303889.052	2363845.408	1333610.557	4282332.732	4396201.307	3146469.919	2639216.325	2229904.734	8762789.201	7419290.141	4875894.306	4845609.689	1783245.982	7805785.048	4456218.586	3864542.482	6396084.602	7574025.458	2885945.217	2566865.698	5422844.337	3961949.715	5360625.146	8156702.713	3647937.717	5756504.134	3951823.61	6105805.329	7895032.308	3770500.72	2813938.088	2574999.798	2174370.262	5047549.648	4895393.444	4916843.961	7608177.723	3359970.318
CID 12910457	201228.1455	472324.9715	549120.5292	221837.8738	302599.9996	211110.0631	247434.5113	232827.8872	225274.5783	240802.2678	300576.499	271016.2024	238726.4878	234750.2206	272374.3779	239761.874	231334.1695	183902.9195	242551.7604	199449.4624	180763.7312	212825.3681	295742.3337	228770.0437	288203.7631	270884.0796	297184.005	220867.1074	243419.7081	200945.8958	245574.0209	184274.8091	218641.1653	233468.8826	222878.214	295553.8617	267337.1043	352660.1447	209374.2075	245119.3428	208844.1366	254060.1747	327493.5146	253220.2633	234479.4577	268723.1974	340985.5346	259025.871	216063.8021	284062.2112	340314.8216	322322.3104	227559.2732	243048.2266	239639.2377	331588.1898	291085.4333	277217.0476	307263.2931	334051.2409	250028.4453	210497.9677	187977.9467	231585.6716	258327.19	259325.6032	209059.1459	255276.4839	170231.2388	236842.6287	251602.7021	217670.7663	176930.2216	186378.6748	184009.1429	302409.8434	229433.4862	220279.8736	321751.3072	241393.8982
CID 134693179	248524.2869	845289.3044	2399845.058	1763490.081	1696081.693	80914.38239	284134.7822	768005.6625	78804.13103	998861.9674	453057.5243	3904798.513	823599.7361	1029834.38	3729531.106	198954.5264	44711.32078	54506.15141	46423.55536	55298.45566	7802450.738	23461947.35	6480887.251	22105401.47	6768315.897	1091776.251	83118.28711	596975.6046	1511973.849	578335.529	67595.61375	74132.14603	122356.4112	71442.47735	100060.2366	54987.68697	63912.47428	64275.16356	68449.0435	54653.79692	4224195.943	1833343.217	65842.56241	779824.2184	849156.8464	547516.7981	3071443.638	7058484.567	1647533.351	7052377.776	288079.6395	658255.8913	102731.7977	97497.20535	89379.51767	275101.9976	193334.0384	221311.034	238571.4658	291984.7863	391174.17	444991.4906	413959.1077	157746.251	295615.6548	56202.96167	51601.03863	55824.90074	47126.49863	54614.90857	439643.1361	547439.3475	859136.8194	337238.3001	780251.4196	47837.38749	52202.77002	46230.57701	54591.52581	51055.32138
Cinnamoylglycine	16220488.83	12332122.23	31048390.45	47079419.55	47761410.59	89136546.74	190349862.8	213972815.5	25346136.45	215899292.2	16724515.41	13616160.74	16487674.02	14033937.84	14703464.42	120475418.5	185762550.8	84290007.31	84468096.71	86933202.82	108321595.7	69776439.58	81967257.8	74028927.34	79854847.7	56018915.11	81588392.46	47392430.22	54370699.45	51976441.6	11165761.09	7466869.678	26892852.01	18854396.73	24214805.07	73917951.33	80344606.46	53995472.1	39281664.47	77413424.03	97216832.72	141910029.1	116469124.7	191703988.3	205094737.3	43901707.79	54151772.57	83656067.61	65102894.6	77268778.76	6123937.419	39334616.22	29294949.69	24282079.39	28341368.32	28651132.87	156262198.8	385072825.4	27035278.9	22624517.09	12239865.19	17493450.65	16190455.52	15877841.64	14497533.36	40402398.27	101555491.3	71634823.67	80457984.39	73328167.52	14578605.69	13640111.06	50487659.87	103001957.3	50315697.98	90279165.8	178734300.3	87451053.55	93527426.31	96715514.96
cis-4-Decenedioic acid	8936690.997	10401015.02	13848207.85	18956403.91	16229526.07	12894159.69	20342161.91	25183730.42	25461547.9	26532821.14	5975582.525	6471739.453	6068083.525	5139725.33	5511347.358	10530129.53	12829761.92	11438589.65	9287223.157	11627201.3	108818832.4	21955515.12	13190614.97	22678979.15	13465464.93	37212745.81	42344702.2	9540033.21	8992167.122	9663776.97	3352869.032	2351975.072	4756567.203	2676593.218	4753968.279	7166293.474	8570657.072	13270287.87	6003157.43	7340544.887	10605291.08	13000195.3	14398258.82	18172956.19	18143550.52	11384943.2	8902189.622	11550733.87	7898012.251	11188854.16	14837684.04	17088413.65	15860243.01	13499981.01	14338872	42172715.14	29111600.15	45841731	44728618.35	38855144	16983832.92	29884200.86	29878766.84	12837048.75	17637271.83	66736866.19	27225278.83	37353479.74	14668267.16	39842072.9	9257728.931	14448622.65	14941028.74	11648334.8	12664083.27	11391520.04	11510101.86	15929161.09	17011536.33	15762540.16
cis-5-Tetradecenoylcarnitine	21040890.94	46852544.45	84702142.03	46872951.71	45377478.59	23594437.2	15367753.05	161488432.6	82479654.55	162120328.4	11723199.9	11826002.58	17289732.61	11348515.96	12975285.67	6644647.922	3414637.136	8831832.042	9059137.144	10047231.52	124706939.3	126149077.2	46734091.44	109387484.8	48483632.04	59784536.1	82065981.9	21311130.45	31090857.14	21005979.3	2867550.467	7183925.051	9055395.648	6288936.04	10380945.02	12511963.4	39056087.13	24452382.48	15586336.43	12603937.85	31265431.87	16873917.5	17917718	9598420.076	8924564.847	26076525.53	26032529.37	29515049.21	21827745.63	38019872.39	59530851.37	13753608.71	76830582.24	63813275.77	66698154.97	68682924.68	19101132.41	27285212.78	84595807.92	68366584.67	91549632.39	153322775.5	134054613.3	50709410.35	90022590.51	211292500.5	35479283.36	59064595.5	46264780.53	59648913.49	43779573.01	89852676.89	129648502.9	24457422.62	135937902.4	43307052.06	37885723.34	44206447.62	40010498.95	41705016.36
Citric acid	1325591735	1141949049	1148741309	1348018598	1494144033	914360702.4	1666650377	1661346616	1123810872	1735192453	580127523	347629080.5	447910936.3	558749728.3	314077862.6	523202973.6	394409954.1	554504410.8	338510353.6	782166397.2	2303438255	644592493.6	832023418.6	694506683.5	913796160.3	384389038.5	1378824767	405768898.9	507954145.5	373492020.7	638320992.3	355365557.2	534926181.4	412594924	476087465.8	701130863.2	783192167.8	851326387.9	805025726.5	685136344.2	1608322271	2279115740	1295798152	2370324982	2275149118	648436932.2	870430952.6	1532039067	783833088.9	1553142901	1178127974	1388750507	1668298375	1718036152	1637002482	1880040162	1394594291	1714793329	1806959907	2028051628	666764788.2	1411636794	1465666888	1007817441	829603962.7	915097473.3	666342729.3	1195941132	844406524	1002415647	807114589.5	1015777025	1289331185	1402266283	1167685468	575032211.3	497503680	482077363.5	526113466.6	485972701.2
Citrulline	202864141.1	210068541.8	186988524.8	219443691.4	238380549.9	197440973.7	401111796.9	214703243.1	276380482.6	219035267.8	371751508	256774076.1	258802092.5	248095004.9	265176681.7	361714998.8	439593150.9	281960357	341563865.6	292034790.9	365883050.3	237546711.5	408939395.2	251241703	424714207.9	248441540.9	259960435.3	257061827.2	275597333.8	244715372.2	361605097.6	229565337.2	291339970.5	282307416.8	281945973.2	216953961.4	129520284.1	156438024.6	242367213.6	219259373	292491058.6	436425568.9	239605430.5	346420367.3	358250942.3	175710905.7	162582274.2	204091680.1	156391486.4	224366123.8	180925115.4	354815782.5	194530058.5	158110543.4	164454593	179314936.3	273614077.3	339439183	186520338.1	171307311.3	165710590.1	179242599.2	190759299.9	266069161.8	216358400.5	109084489.8	125551229.5	117941465.5	115616092.2	118328068.8	194380744.2	205372483.8	246490583.5	373967781.1	267894978.9	149774554.8	200107256.3	180183172.6	175661729.6	169966925.5
Clozapine	5644817.492	7204856.039	1929066.74	661372.6942	693156.4057	5363188.186	13799410.8	810796.9754	1327849.545	1358847.849	17044833.38	4735281.201	2050759.788	39318102.19	4672138.357	2743045.862	2369037.515	2628210.887	3514070.049	2570694.557	2016037.473	2170103.107	2402275.204	1861145.52	1967310.522	1777158.926	1799507.564	1520958.921	1265077.398	1186080.065	1448085.54	2545882.733	1942872.214	1391939.599	2257399.184	1381892.987	1907868.878	1778686.603	1777296.144	1820312.491	1517092.825	1760647.26	1655927.264	1407270.404	1582638.509	1502793.966	2099771.061	1540735.284	1620692.258	1729915.344	11395937.57	4951286.328	6546334.559	11661700.89	8882240.821	8982538.766	3646876.019	2804854.552	45067797.12	9587258.542	14042598970	14992867718	13419196774	13487321363	14617244900	11890913390	11473934102	9592980407	5855171069	10521920008	2558210.72	3813687.13	2055189.956	7792245.985	2690379.481	85206875.05	11761643.56	13264864.28	12294951.96	16071768.37
Clozapine N-oxide	1053398.701	1213873.586	1204452.293	962365.3074	1006831.35	1043119.246	1090369.316	1216836.891	1111037.362	1210766.056	940191.9841	879960.8322	729956.3367	768449.8688	903259.5051	738886.5233	737108.446	680457.9577	924367.0893	742707.8803	779069.2511	699034.044	946685.2281	786350.9038	1408206.391	1014917.075	1069435.6	839926.9636	941878.6732	862164.0101	978156.8861	756153.4774	976559.9172	1026841.152	1282201.789	1178850.065	1112784.214	2557815.282	1803010.564	1113411.006	863976.7538	1045594.428	1071525.741	919772.1905	941660.6269	851379.1894	1053762.392	988110.1698	773667.8314	948271.5792	1533256.53	1699083.212	1191392.4	1328803.651	1186546.879	1767667.188	1612406.72	1481731.821	1766424.482	1692301.519	756255973.6	749833886	671431883.7	699894557.3	812560426.4	529822945	517471601.5	561388403	223959832.4	615410656.7	889682.9131	937842.0193	667483.264	685549.8927	734247.7068	779433.4336	730099.2943	821221.9729	1083279.386	889474.3913
Creatine	999207602.5	1222518906	829919540.6	755377930.9	768520094.3	975786185.2	1389215502	838982043.1	1171515915	769537215.2	978267259.7	1268745645	936162770.9	902275381.8	1287588475	768100586	661288455.2	946201588.1	873529381.4	884098609.8	563329410.6	289454079	659326874.3	274431212.3	688792955	901803639.5	505447498.1	586328510.3	568124191.7	632555966	678272356.8	591796676.7	975591411	922271720	798788598.6	1037095222	1314241610	1417637909	923814110.5	1032140057	762783898.7	626760321.4	403377495.8	534192029.8	481337420	1319680732	903569507.1	719911803	1126211895	879858800	484277033.9	688935476.8	511403452.1	570316137.5	580516320.1	952153192.1	747329172.3	772454611.4	1020942128	994605456.1	330929039.7	561751532.1	360608581.4	656962941.2	330289337.4	481308609.1	319599546.8	344480214.2	325722143.2	305029702.5	562468349.9	416943808.5	478069067.7	467877091.3	474213632.6	370785755.6	431333645.2	253350231.1	323885316.3	323318555.1
Creatinine	72039382.87	29537412.86	78304970.43	80552854.76	72635853.43	52560408.66	51812271.12	32124918.71	94945890.56	38405105.96	38173569.51	37873866.47	42872153.24	34136807.44	53347680.22	40709389.24	35132898.43	34531819.6	40507355.47	39665113.44	26027597.76	19640477.31	52634953.49	23968801.46	41747110.01	37024575.73	26321260.03	36590339.4	36003324.02	40232545.77	76698485.14	69961646.09	87161524.9	93703408.78	70503248.4	109818062	76499353.43	65748205.88	95543275.41	106572742.8	80174437.65	104000428.7	87796739	94222802.72	84855970.41	34746353.98	54772808.74	49827551.8	38432307.53	52228695.24	58606781.5	67950364.45	56960661.78	25219443.33	53355488.61	67217043.7	75999376.92	93452135.72	59433366.3	38719629.76	62440806.92	79618196.92	48539278.82	106365374.4	63218311.73	66278768.79	50861408.94	53567820.48	46045478.08	50169262.52	48805196.3	59316450.09	60372842.7	61350971.87	59401238.31	48283871.87	64486064.22	51919364.67	65286181.57	65743576.51
Cytosine	32510326.02	34651696.16	36757250	28166810.2	21636219.51	16016148.98	22009726.31	25061446.4	28882461.03	24662127.77	16269215.74	21208338.73	20839852.42	19231666.14	22500531.35	16743582.6	15295644.25	19556881.92	16485372.41	20837866.58	21503225.7	17177222.41	16061494.84	15489956.31	18472571.64	16812576.87	16686476.51	17021676.58	14503556.99	15853732.09	16271210.12	15001553.11	17788250.82	14765903.91	17645783.67	19420739.75	18301846.55	18763607.6	18085973.7	17149140.92	22907407.52	21876194.5	22660216.71	20056597.83	22634638.57	20839579.06	26560800.65	20900287.53	17479908.79	20435813.4	34825062.52	25993049.69	35003523.52	35677871.6	32981419.01	39126591.67	28283419.86	33524769.36	36588386.34	35185228.39	35532786.4	61137080.57	57115302.56	27564301.47	38959417.22	39759412.49	25494237.64	31538774.17	25021149.11	33185028.17	26853568.95	27780429.23	24051401	25408053.81	28578072.52	16389336.83	14993771.55	18994949.43	21689303.78	17283709.44
D-​Xylonic acid	79920413.18	98882937.93	78882030.48	122315688.6	131059516.3	75470375.33	222076698.2	107381383.8	238903802.9	99911821.97	83670116.33	78731634.18	101162045.5	68151633.42	102611284	129041519.1	81821594.84	99157314.29	90851338.85	84331407.45	32397349.91	38038815.29	48497288.74	32225665.96	82538373.75	89626743.41	35690651.12	70342666.48	119471241	101770274.2	69831543.95	118619407	106660306.8	94979401.77	102072854.1	162326196.3	77478104.61	82629948.11	108463880.1	145805730.7	117467817.5	123788073.7	139506982.7	152605238	166653939.4	65026573.82	61478119.35	71228315.79	62395308.65	55110098.1	88569167.84	99483533.19	84540191.08	92991115.29	83045427.66	182051378.4	130992485.2	66215822.4	170505470.5	247529653	78582823.21	76965760.13	131863538.3	118633238.2	98413012.05	133350629.2	88644705.95	75962230.06	52350264.93	82959364.35	98158510.72	85463667.83	73308547.12	147088503.2	90123092.59	107835350.5	138300765.8	121277972.9	180973933.4	161604568.3
dacisteine	5415000.399	4912325.649	5868696.263	4530854.226	3992134.443	5023628.368	10466723.29	2575995.401	5175964.242	2724413.851	993478.8658	1395226.468	743273.6291	522175.2664	872857.3342	929202.3982	1191051.257	3441106.467	1430128.999	4911429.767	1823428.155	1589704.236	828619.6859	2127042.424	771890.388	1714078.158	2501074.595	936893.0416	1302028.651	1007235.005	520781.4532	504531.9329	841689.1892	504836.2397	464904.9245	787635.0742	1098026.15	1116898.165	515844.7027	562301.3437	4863670.113	3264450.347	1061109.667	3633228.373	3115668.339	7538357.243	5370774.3	3153135.243	6621096.747	4558515.064	816601.717	5738226.975	2249825.222	2264171.365	1852328.353	8496639.715	8787534.432	16638915.79	9360697.744	9150881.76	2012888.482	3490102.936	3624490.524	3075858.915	2017108.445	4394330.865	3881609.649	8840658.983	16292197.68	9840143.993	3525782.663	4404927.55	7839592.83	7318303.915	7614230.22	4470976.41	8442347.496	3997906.059	3561563.611	3591548.837
Daidzein	3085061.213	3101482.343	2884506.901	2426592.055	2579893.819	3239768.489	14237610.51	8993039.096	7728285.373	9728160.398	3739100.108	2674801.442	4465821.61	3690889.675	2694886.669	14853702.27	6718038.001	9503028.04	11023198.62	9018987.757	798014.4157	1524608.788	3229794.419	1484873.934	3205810.589	848688.1233	317596.1865	2647043.755	2384603.19	2905738.058	10743460.92	1234946.493	5003878.686	4989102.67	5157921.1	2563705.278	1364410.055	2245521.404	5113238.461	2935702.895	7913007.745	5055809.503	1084316.676	7101105.158	6282372.833	1949542.242	2631100.938	8327195.176	1651718.666	7987953.805	1364727.725	3909589.361	1751380.884	1806500.812	1632637.767	1933726.276	3482949.673	6082209.873	2127382.867	2092059.815	2695696.49	1625955.845	1555206.383	2382730.904	2814956.729	281636.6533	4982455.166	1512356.066	1345510.674	1857894.592	2447766.716	1823506.836	3886040.101	5362866.922	4163925.005	2293778.483	4295740.021	4942691.455	4561806.71	4567643.665
Deoxyuridine	19084974.67	27254616.63	25664915.78	16773347.54	15706975.26	223489.829	16532807.59	7594898.491	19336462.54	6564645.27	18491562.71	27374222.52	24645097.28	22549055.77	19391267.42	10755515.14	12530935.68	8440413.725	12060457.11	15869834.77	6850260.806	3906179.604	7897027.444	6275379.215	7042808.605	7719723.062	5242500.759	8422261.645	7837640.932	8771570.841	14335267.16	10286052.26	13389436.96	11973659.4	14966099.54	8377477.29	11578041.36	9531747.109	9392446.246	13656849.13	7125300.184	11326884.02	10579277.47	12373822.4	9170812.383	8356342.47	14855716.69	7518592.712	7774351.897	8220631.191	22813961.56	20852484.19	12850765.37	18661381.84	17039239.42	11435274.09	10976339.79	19629084.53	14228755.95	16040238.13	17772145.78	16054117.83	15030831.17	13230362.07	14495679.21	20070432.69	8859986.465	13467932.66	11658777.24	10750297.33	21131151.11	19899791.07	14325323.75	18589688.02	15583508.23	7275837.04	9387349.015	7879151.263	7245302.864	7067321.927
D-Glucuronic acid	250551237.8	417898609.9	427572838.4	120470119.5	108602258.2	41399145.85	471260743.6	347904760	428389452.8	262202322.5	32585547.45	329391810.1	112150870.1	93280326.22	370991409.5	299731211.2	466198471.8	577957424.8	230913856.7	574706302.5	23833100.92	7426704.691	18082771.54	7485177.99	13697419.44	18353951.34	17228031.13	14802385.33	11285761.8	11910099.14	15604064.34	17534546.75	21302570.88	9045518.519	19241019.89	26139341.98	16591541.43	25317405.4	19669589.94	20606869.86	220819472	23028610.38	26196755.17	19737874.31	23611882.94	68955640.44	535402279.4	399634889.4	346436198	419382826.1	215338546.5	438679275.5	562691704.2	576703608.5	448601449.9	654955113.4	458987942.8	645652172.2	911354591.7	583661581.8	346017318.7	424764034.1	325523392.1	243568252.1	320985438.9	430188158.8	301232412.5	452138082.5	387444163.5	436143776.1	182571322	369251362.5	176992221.2	208522433	197541470.4	186339673.1	243271351.4	169665170.9	175769701.9	172332407.3
DIBOA-Glc	563975.6588	285168.8727	495562.1943	171559.3762	177909.376	321874.2241	1261959.528	428417.2523	799461.2805	450767.1002	4301936.763	2862575.598	3282230.194	2577803.112	2518919.39	2302978.034	3639879.067	2392223.346	3263105.996	2461320.92	481759.7656	1799045.833	5355566.993	1903600.456	5910301.973	949352.1348	135449.834	528453.9391	1487549.342	812643.4379	7994015.976	1199644.006	2622698.767	2550541.165	2650930.458	841836.8103	233362.8772	999177.2542	1527609.913	660309.9524	974734.2859	856007.8073	261181.6613	687910.9538	509533.8063	1210742.053	785211.0767	825044.4877	136009.6567	756598.7723	171122.2617	3396462.035	422520.707	486981.1381	373376.9517	207391.316	1485139.356	1029644.399	197164.3595	197852.768	1372259.307	116703.4633	111294.4896	1414318.126	1146131.933	89743.42159	181543.7924	93490.92221	342339.8741	91519.38588	331734.9736	345427.0861	1314157.943	1513897.743	1187458.243	901167.7978	2024512.8	1752536.09	1761068.863	1754759.584
Dibutyl malate	1438272.822	1469243.961	1661237.546	2836696.747	2436639.784	1327471.328	3184655.938	1986721.915	1965944.836	1908708.994	1309110.055	2523664.07	1427639.054	1175048.842	2499734.097	1566515.31	1359831.804	1400891.284	1665637.063	1209030.205	117369661.2	32017844.12	10524941.68	33954335.22	9657418.545	7075169.54	14147716.14	2140596.017	3363443.493	1864956.714	687726.7229	1179495.509	650286.7587	938359.0419	757549.4201	346134.7101	1094955.158	938499.1862	601666.5789	467257.6511	2076103.498	2006536.315	986294.1704	2550694.473	2720974.415	878092.3741	1975394.805	2688581.691	718241.4294	2712707.311	1118788.198	1536328.778	1500933.392	1611138.819	1431517.3	1207863.822	1000138.595	2213455.659	1619859.403	1273623.018	1475464.675	3642823.613	3861704.573	1381650.705	1571465.146	3609902.103	1268155.246	1721957.455	920277.9801	1706572.729	1493669.214	1334457.999	2849733.825	1820736.577	2770658.683	1196386.835	1449326.356	1228536	1250648.53	1241395.663
Dibutyl phthalate	11464912.5	12953069.48	16120734.61	14434839.51	16556453.78	7245947.632	9758363.287	18347591.64	14407820.5	19811123.21	9685774.075	11629735.24	16352618.96	7431890.613	10257431.05	11146191.11	6040161.251	8977093.332	11261917.05	7745054.129	2875875.853	6502208.747	4780136.941	6853280.297	6226537.073	4097011.926	2553142.793	986456.2941	2182448.19	1079203.331	171082.9008	87670.03211	1315526.651	119383.3669	1259873.917	139519.5564	1156495.439	1237028.746	1198639.947	138928.5274	2160157.054	224512.9108	234684.1552	128168.7926	50953.85326	869432.0483	2821741.939	1787868.309	1500456.975	1754857.596	9895627.618	12686727.1	16232333.06	19229146.68	17970703.4	12437923.51	13914562.9	3853795.692	14214938.32	11757216.87	9684906.07	8002482.242	11443145.21	9921506.669	8929273.219	9622694.576	8509707.438	8254418.197	7591396.87	9914232.921	12542793.33	9785399.448	7364887.417	11085912.2	9023486.824	6673479.791	8389767.857	8280559.848	8086684.451	8210399.594
Diethyl pyrocarbonate	67397617.83	58877895.15	63888137.64	56674511.05	61730968.8	62776666.1	126161883.2	53434551.04	130726078.6	74176577.98	55297908.99	31586672.98	69402717.01	59002608.32	62953781.32	50409018.53	81342758.45	67563091.51	59262313.19	71357992.84	34813225.58	26396582.73	46565958.51	38492495.22	43809064.75	36093506.82	39230569.07	47066699.32	50355712.7	59748216.23	57113369.59	89701428.68	80258703.78	73567076.56	53168166.38	116943581.4	59569148.84	48314451.58	62438896.26	121016045.3	68512997.9	65666261.7	113606267.8	71850200.96	58382381.46	53365100.73	31833328.55	43763777.07	39793550.09	36007602.63	58508002	61954899.7	48579591.94	60041842.73	53553118.1	142072846.7	74108074.38	57650434.07	132806310.3	124811568.8	57237657.81	67640200.42	58336452.25	86587453.76	82051240.52	93881613.12	51820318.34	73602626.46	47472255.51	49949497.22	65979098.42	67236352.33	55373620.75	87575141.67	61355757.8	57896566.32	74322394.34	94035339.87	72923538.6	72390150.04
Dihexyverine	2626589.72	5372647.5	3030276.955	3480554.914	4844546.013	2986214.008	3816048.856	5158149.419	5536178.356	2339888.25	3919009.082	2796997.563	3390104.902	2091128.543	2247840.119	3714262.932	2301609.518	1968060.57	5660002.234	2943667.763	4451258.71	3561825.018	3692503.102	2234715.87	2753676.431	4087298.468	3910736.773	2803438.878	3979196.517	2764653.886	4942364.297	2246045.951	2899157.98	2956568.753	2963910.035	2530257.381	3645656.843	4080092.218	3788713.297	3155770.186	2686071.832	4223287.019	2431568.56	3527949.485	3811117.698	10683636.2	3917379.632	3907274.277	2932442.19	3427905.727	8450818.718	4533187.732	3047388.459	2262031.002	2419458.932	9826557.565	7280681.362	5603919.874	5822449.886	9662865.927	6942934.985	3118921.033	2232157.777	3039209.326	4551269.078	3682270.415	2214209.96	1995914.161	1514002.433	2370821.962	3018622.684	3509304.465	3818969.01	2930020.567	4008158.823	4072670.62	2746842.386	2130212.343	3520628.057	2608944.78
Dihydromethysticin	731977.4875	503885.602	626535.0904	753066.1585	576401.7639	413167.2194	743156.6969	912970.5074	709724.701	967804.7834	1383697.07	1045298.43	1964864.957	1330701.516	962897.5717	1279190.014	1282074.787	916119.4248	1298802.252	782192.7401	2830405.102	542240.5611	697448.6162	612235.544	780597.0826	4652156.72	3591829.466	3512946.868	3355157.246	3501765.703	4661461.276	2941757.441	3507887.041	4515954.068	3557310.998	870117.3256	3801538.817	3938483.058	3585818.426	920449.3745	2646392.609	4039122.712	4125695.37	3846114.945	3862144.279	3828761.437	3984985.92	4046732.787	2668513.365	3679264.86	1154103.522	1674729.467	834900.0465	588302.1754	620983.2482	1662428.352	1323960.268	1376527.794	1294127.023	1731443.279	1623501.386	31184.49554	758959.89	853530.0355	2330950.187	674321.4382	1018431.324	1018250.212	695355.7411	1212073.772	1381312.763	904068.9282	834774.9006	1063504.318	852931.773	1790841.528	1104398.559	1456046.956	1421637.14	1478792.754
Dihydroroseoside	31923.1488	62307.43111	140815.4546	222148.8448	255684.7513	6263004.316	7188488.402	19482570.28	11529945.16	21103893.08	226764.3074	166833.5696	232064.845	71893.67163	157278.9731	3320991.518	4276050.227	11090451.7	11876585	10502580.09	747474.4212	49648.30159	255019.4144	54005.75529	67675.08881	11388826.14	10811031.81	6091362.323	4794512.662	7076802.828	393164.3158	255779.4284	1153225.423	508992.2131	949083.4108	6103450.351	6297520.141	5456311.258	5961667.235	6458572.367	355384.7941	544748.2313	464772.9441	467656.7907	66919.31302	9403026.597	6097808.428	956285.3116	6728546.232	815436.8873	269491.9018	143312.9654	37529.17578	38338.60793	37181.90088	3289923.86	4361594.63	20963889.36	3723597.506	3167289.704	125792.8354	431490.2785	489865.7524	136842.6171	231982.5267	14661100.06	38111883.48	10222615.07	7918132.56	12123673.67	341283.3007	126829.7289	32147.14313	44395.05429	183273.776	13906030.11	10026097.13	17674678.24	16994146	17025072.13
Diphenol glucuronide	985568.7778	1483441.83	525562.4665	4922699.167	5054179.561	4072890.245	4547899.645	6484185.315	2439128.122	6570724.844	3020737.581	2277404.843	2407986.582	2383956.469	2306542.666	8700339.535	7078496.985	3721804.953	3097493.759	3284693.146	4009490.506	7793043.528	3160260.151	8602118.864	3367058.411	1346282.881	1537365.374	3388074.479	2313516.101	2181734.799	7400632.578	1633051.805	4617124.423	4330866.709	4876471.719	5145810.555	4013974.545	2375436.634	4547397.328	4904594.775	5155006.298	6823545.556	4297987.123	7759116.359	7707863.184	313577.2566	1589368.035	5850756.457	621410.2586	4919878.569	133421.6444	2032385.838	425210.9568	216386.1334	206862.1204	547306.9283	1112858.476	5623889.271	281499.9935	193207.3266	372662.28	195854.9495	227557.7039	875453.838	396621.3609	174537.0868	4027082.006	714193.0942	5179037.565	816531.9536	1256846.57	3201678.527	2633525.758	4342431.676	2922978.403	3527058.729	3258975.174	5432116.193	5553582.512	5603072.373
DL-Glutamate	18581624.58	19148223.19	11517174.79	16215247.17	17285411.73	22640049.76	48052423.24	30221275.29	21794796.93	32497241.69	11228753.29	15170973.91	13320927.56	7612138.882	15136132.03	12455929.1	18435421.36	21340544.99	9362879.245	25904852.61	14750130.71	4925687.722	10718711.88	7044728.015	10279101.99	21576850.18	15919801.91	16607123.32	12404660.86	14944984.03	9028100.201	6046353.443	8266992.268	6729489.741	9531418.209	10733315.17	12790492.02	9952904.873	11546467.21	10944049.9	12568969.03	19990485.48	14196625.2	24527387.02	21258190.69	11253471.81	13713772.32	16348970.85	19085429.53	16107903.36	8019360.752	16649306.39	11905766.63	11351174.26	10826341.06	28256298.26	17309056.31	20547916.8	27953569.7	26291171.64	6785931.657	11756781.19	10102459.49	10310528.53	7281442.865	12559553.77	12987998.5	13103660.18	9483395.266	11634023.12	8981779.896	8573539.088	10553091.55	10764995.96	8262274.836	9107666.046	16160533.46	13649894.58	11013960.58	11355062.93
D-Mannose	5469078610	6373407582	6520506872	6841414221	7143045700	5300919696	11461520446	5722947654	13150210926	6025617399	5115069792	5371859034	5267477821	4577819619	5458833791	6775709527	6514439470	8126330768	8493783702	7394853390	2050784046	3309430112	6438650857	2877684207	7217488641	6650085341	3105996921	7351441998	6829650107	7715837673	5140198979	8786204513	6830243558	6605363338	7017299018	11351607445	5365963977	7459135852	9343918088	12689894307	6668664760	8909537310	10761943460	7616038989	8597973630	3644182005	3237552948	3137389525	3948011968	3030483931	5772658223	6619220935	6909801975	6329639018	6315977107	12972959353	8496855736	6083217223	12119892155	13476274445	6639558214	7646611166	6820928765	6650121161	6456817677	7696329701	7341277273	7467212566	3869311131	6966109643	7195615420	6072137642	7277490877	7940624559	6160327227	7099178803	8868797987	10265334378	9308118893	10354736711
Docosahexaenoic acid	299668867	176400694.8	271230372.4	264443792.5	241258241	260965342.8	346425278.1	330850164	305421124.2	340860512.1	142788710.3	164471616.1	153565146.3	196153845.2	153006411.6	106272409.6	87009873.15	142923686.1	135901665.1	168413058.9	421068607.3	326941155.5	214806347.3	311068912	238514485.7	230003818	321154010.3	223317008.2	278445524.4	176140474	150709409.8	240237363.6	282053969.1	253951517.4	205530037.4	222333322	307096667	347799035.4	250567203.4	255805056.6	265965672.7	173453776	196628812.9	116058617.1	114674953.7	328827655.4	301117344.6	335796039.4	226309167	298497881.2	319327951.6	125002213.5	189495662.5	212582213.6	241859562.9	253743948.8	87437362.21	179610737.2	299822684.8	307757517.7	182636181.4	276698014.3	332825166	158032464.3	176356163.4	187005413.1	153908241.5	260661864	133158468.2	236038168.9	141521424.5	267552378.8	264430148.2	124412224.9	275806655.8	114113792	179592499.2	185523864.7	177200209.5	182439968.4
Dodecanedioic acid	17918506.52	24333297.56	29335492.16	25053897.57	35419602.13	18826262.92	51463487.58	45107918.49	36855966.68	42236125.08	24501984.21	24558681.27	24743404.5	21274470.07	30699756.24	20296046.83	25921412.81	16700098.45	15173806.04	16046205.4	173810594.4	98387088.88	49288113.96	106535314.1	50750077.83	42726117.52	53433330.46	22186217.72	26099036.29	24520719.81	16678347.1	4968277.762	10270189.32	12210038.38	11436248.55	6644123.253	6342738.821	12320079.61	6106562.653	2530460.518	47428806.48	56706109.61	22087612.37	68327024.55	64733534.69	17261640.99	51393271.58	57979353.59	24255814.11	57206235.55	25109899.62	38776450.21	33948201.32	32105423.23	34209614.8	33007644.91	15515497.89	31087484.65	28490296.58	30728155.88	29537878.1	47368082.81	49860241.79	27531325.21	27115745.17	24083985.17	22594233.13	34931355.12	14791248.63	34963273.19	22399728.41	21258772.01	30578799.69	41570400.67	27607199.55	16511296.19	24149224.71	28251538.21	24263872.46	25080160.63
Dolichol phosphate	2721259.413	2534259.119	1969833.052	3071365.832	3464398.8	2171743.329	2611046.744	2609886.609	3697362.483	2364957.032	4511293.879	2410276.324	4743848.19	2808889.903	3155654.013	4226084.978	3944898.026	3816858.51	4505697.819	3542971.069	4067780.396	1213116.777	1047647.764	1371536.427	1539281.151	4832779.362	8204121.148	6000542.934	5504007.136	5357691.556	5499718.637	5697334.227	7351136.303	6626698.92	8424226.458	2016376.606	9351502.057	8318655.207	6343280.506	1905402.912	5398572.013	6669092.656	6658900.134	8364612.724	8302004.095	7554507.592	6722074.798	7184823.295	6534087.332	8456353.378	5009269.795	5385024.647	2635892.001	1390369.407	1753427.274	5558948.9	3951725.53	2930856.331	3201304.286	7475199.216	4499694.469	3948727.649	5192210.941	2985772.775	5117916.4	2513524.377	3551041.706	1921847.818	3478970.052	2610052.268	4038611.378	3387208.436	2558046.096	4516375.34	2451617.096	6250209.886	3023428.747	3762765.047	4513541.383	3835784.822
D-Phenyllactic acid	24013315.68	26738920.94	28851373.25	32235418.6	31191709.01	8115326.974	49092765.96	18217792.61	27780330.86	18553630.14	14098692.71	12140847.29	21525504.79	16311955.93	12053459.17	37611179.81	22899034.46	19439533.9	11472624	18860848.11	14312642.46	17268691.53	22823192.32	18858103.66	23539031.81	16177496.31	17239689.72	25233728.25	24275549.5	27211299.36	14633016.81	16215822.56	39943499.35	39185559.45	39974780.38	19298703.57	13326495.74	16794578.84	41474180.34	19008696	47688894.86	58039798.93	31126444.21	85767716.45	78956802.83	14868672.05	15610767.04	39604748.7	18119236.5	39804000.55	22533082.48	33751962.44	42223614.71	42839795.84	44774809.39	38321171.19	29673441.92	45893536.46	36892097.41	37284301.44	31060772	62450700.39	59428274.28	28885194.07	29544254.43	26217815.28	26998956.98	47877036.06	11513816.33	49978972.99	20553962.02	26768314.82	15850249.67	29925418.53	16262815.24	22343802.45	19349781.38	21913383.1	22832831.36	22525961.75
D-Proline	425474490.5	432047271.5	311090829.8	231389170.5	241654359.9	335275802.2	980781118.4	457769143.9	385809674.3	343649924.1	464896539.2	353598078.5	371077392.1	334146914	339588847	403004281.6	421736487.3	154184919.4	178096128.8	390364563.8	295107267.6	252050757.5	267505913.6	248265173.5	632659139.7	363839228.5	227275492	357449598.5	401298301.7	374398298.8	544586739.2	208668280.8	311511567.7	337064022	319180294.6	266058211.4	201025360.6	223008077.7	293428213.1	226132610.5	225699457.1	499057352.1	176901812.1	603271565.9	773072799.3	297893146.7	358617900.1	371612132.4	339043413	389071115.1	129592746.7	488487100.7	184317170.7	183513720.1	197541862.8	247347555.6	285847367	452088918.4	202538054	193296984.1	114137580.3	167939747.6	148934329.6	349551323.8	125731915	122790445	228577675.3	141319094.1	235925284	160435435.6	184455881.5	154706351.4	206838176.9	321335754.7	220910164.8	141577697.3	238805436.4	160423448.9	162447930.3	162729691.3
Ecgonine	2075133.236	3246430.92	6453231.492	5624933.699	5622309.681	9369145.008	17987275.47	24201483.81	7256865.715	29452010.03	898476.0147	838625.3588	1271708.18	1079105.975	1469458.977	2180578.352	1713144.527	6003385.387	3199389.769	6433065.829	18320209.94	4739561	4303370.915	4425958.557	4822866.398	10276425	35459185.74	9317158.948	7314304.038	9665727.784	745019.2106	955918.8462	1490955.5	958189.0396	1362043.27	3119977.634	7411110.06	5917466.291	3264529.248	3290639.431	4315088.566	4020370.726	2560292.512	5079406.059	4703840.301	6313098.655	5681777.133	5765346.361	10052054.37	5270052.016	4607437.666	3031139.113	7477186.957	6890530.211	6559036.834	14274178.8	13774528.16	19165741.4	14398261.8	14415279.57	5320232.258	11284368.51	10528995.14	3711028.852	5552033.358	36003143.48	8808782.971	17352105.88	7031751.399	17992282.59	4711288.518	5091846.812	7213250.612	3531018.435	7667622.873	4494913.121	5072326.619	6260397.868	6666945.479	6580350.52
Ectoine	27256172.86	141268735	64121513.05	161500690	159049325	88399721.08	71001975.22	26524243.4	73233794.22	20348732.97	24735174.05	51920234.95	43160595.22	47513183.57	52448863.8	46264197.1	28693627.18	357824697.4	37465458.78	348997306.7	35545658.79	19086051.9	12779438.07	11171169.44	16184439.7	16398145.52	11233456.36	18815812.37	18800458.21	15588580.49	8278763.704	10079454.39	13461278.17	11240034.24	19320716.48	10175527.04	8771341.08	9585616.336	16777498.58	11147809.05	41269493.16	115190750.9	64544740.9	250073153.7	273332660.8	11083303.77	10124125.98	18552996.49	10617039.1	15194513.37	113505385.8	59805606	18320874.91	19676064.73	18786062.78	17139477.5	31072782.32	22696867.7	15564592.78	23736647.34	13818075.67	14799322.9	13701557.08	23536133.54	14095652.35	14262595.71	38456373.73	30318984.77	27729835.68	26237738.59	241359119.3	12394791.89	53663784.16	41588453.65	70054559.92	27715549.99	31290796.13	28797941.47	32597423.01	27320497.39
Enviradene	310254.6278	259149.1059	379972.2032	283587.3959	268598.1112	238158.2384	273753.5426	305331.6519	312862.2554	292688.3493	282829.5731	198217.7882	245787.1662	186337.1666	295742.3016	260634.5444	185398.7692	174591.4705	254122.8103	189629.5741	304034.8254	208025.3806	293908.3991	186844.8512	223772.0819	345743.5202	371173.6798	323342.6371	231195.5958	341671.5031	383697.7432	232925.3405	308310.0425	242498.9697	311028.5037	270591.7021	370406.5761	398137.4853	288373.2492	290604.8628	240991.7447	289052.2888	352792.6656	343157.1278	257340.5781	358022.2264	424142.8388	297353.1765	294010.9363	279757.4355	389068.28	456250.5029	340382.7402	329794.6889	301147.5126	526122.2772	390768.3215	405702.9358	494072.9321	518057.7226	283766.7411	151891.6311	181880.6689	213816.049	197444.863	286823.3424	191800.4849	182094.2201	155607.0182	261779.6792	213659.4694	202390.3551	263576.4028	219054.37	252330.9433	296217.1018	182629.5563	304957.5656	241963.4636	269043.9017
Ethyl glucuronide	4434116.528	11994728.4	2099363.602	6159790.949	8369946.261	9097445.209	13780463.89	4444528.546	17880921.32	8962888.677	20324744.89	2203609.779	16035068.87	2421646.896	2550485.995	12114899.06	24728229.22	6555505.946	13985859.69	24122587.22	13380519.69	5802765.004	2570296.543	6023395.258	2665585.653	25506730.9	26009931.58	22477931.58	19280767.13	15507356.39	19212056.43	26626853.69	17916420.87	22921446.15	16642233.22	9587182.037	20081607.13	25718597.71	17653063.48	6696055.038	18166363.61	17134442.82	21124903.67	19495320.63	17165141.67	16997715.01	22506317.04	18487139.73	14145593	18844350.68	11490994.55	12080613.99	7160902.53	1650927.941	4815065.357	14093535.44	6177078.94	11003990.86	5750693.016	13886748.94	12540544.82	10723147.62	13581822.58	10735347.42	12881670.5	20598689.69	14380884.64	2692151.445	19193974.66	1168151.34	15548944.89	12095103.9	9433217.196	10801309.88	10420086.97	27207058.52	9219538.716	12365992.5	17070772.76	14622156.4
Ethyl vanillin isobutyrate	5516487.276	6135946.967	6604639.731	4891187.411	5018064.053	4324760.266	5740114.495	6275113.258	7119433.86	5400435.379	13616466.26	9631181.517	9666782.994	7563806.123	7329882.755	9887940.411	6567093.917	7821514.559	10884371.25	6541624.988	16022477.82	4840403.264	5634267.239	5121807.958	6255207.691	26454808.59	21510913.83	20330899.45	17911074.43	20939315.07	20475241.35	16585296.85	20139207.23	26231295.73	14768595.18	7805199.189	23266921.68	24441277.88	22875267.39	9326513.74	15480883.41	22783833.22	24737928.01	18950823.4	19470799.53	25640494.86	24042027.54	24007861.11	17659019.63	22366708.32	8032678.845	10072841.75	5865079.448	4132703.01	5073914.34	9749369.237	6656434.18	6825747.363	7220981.42	10772362.7	8462975.988	7072940.827	8575361.563	8081365.096	7465367.64	7193117.337	8949112.51	8868052.704	5458287.453	9256538.541	13152711.73	7600862.647	5212930.154	7054610.718	5253138.811	11805026.14	8717770.765	9768592.315	12134512.39	10472256.53
Fagomine	48260572.1	52510183.03	56306119.89	60987531.49	63198594.78	36052425.33	67271086.92	50868447.3	63952479.01	46381994.51	34111681.77	40790670.32	47497884.61	37574227.53	41967730.68	45920474.39	38216798.14	53962725.52	38571375.73	49269977.59	43118851.75	35945690.99	35003614.54	32785289.64	35705715.58	33984136.46	31121286.41	34958228.13	23698400.75	33989702.7	49395000.05	30584007.53	44208172.29	38607339.75	46060890.47	51871069.11	32303308.89	35693833.89	45305227.14	41721396.33	37489649.96	45054664.82	44813499.32	52491084.6	50697375.32	32113527.27	43393310.22	36119183.33	24120396.58	38258187.26	38649866.37	58991107.43	56290729.84	54910716.79	53677964.89	50780599.28	54795236.18	49443933.61	50501777.09	44096491.98	41829522.72	61241868.5	40293092.06	46196006.24	40505440.61	34909280.34	40671547.42	46992965.29	35958242.3	48037761.2	48863412.28	36567546.26	40345200.71	33186626.15	42617355.67	29107683.62	41294576.27	41190344.88	40270133.82	40817401.5
Fenethazine	283052.3562	2267079.17	2730130.161	281153.8946	1751269.73	239406.3416	2183365.045	1230664.543	3583408.365	269222.5163	317963.1363	465314.944	391843.6413	400208.1156	430634.9969	368935.6981	317890.7285	286770.8414	339015.445	298037.9762	217805.0136	270334.0301	350997.0226	329635.3171	335061.0175	314073.8703	367101.9212	248615.6648	304573.9081	239284.3005	298307.7001	266946.7195	282379.5689	336173.2098	299864.7677	334558.6096	284690.564	378878.3923	280710.503	339338.4655	261720.8526	299668.2273	376101.9628	359065.9524	352999.4663	346087.0926	438972.2971	310599.9778	288957.4199	297858.9093	399901.915	380113.4062	284073.9262	302048.7521	267490.4222	434749.8582	368511.9666	347019.0673	422261.2281	394192.7539	380795.0989	337836.774	281242.3306	257067.0676	372253.4673	327822.2309	301652.6482	331708.9715	305138.1668	363430.4728	426227.1432	344433.4268	307211.7071	324014.8704	274593.7831	419979.7997	318707	386193.8232	486708.8422	393768.7599
Floionolic acid	275604.2544	199316.2697	315965.7607	320230.0971	372142.5131	233658.3297	473080.195	573731.8289	980947.656	519054.3876	488637.3239	452516.8894	418604.0967	286028.7976	356521.5093	530462.2771	376241.3682	452231.2865	671560.1736	384176.8108	4811006.627	3110020.648	2032237.788	3305313.887	2134972.94	735320.5589	312580.1858	397137.1897	500362.5813	436704.1955	1982153.419	443079.6914	1032160.264	1023155.03	967109.6446	661257.0471	543644.701	466081.09	565828.6779	664190.4406	2212712.985	1339458.475	332383.3231	1220386.219	1247720.815	500019.1308	876186.1312	2580224.789	704482.3575	2754456.08	335686.5953	809920.0851	458420.4347	458756.4848	188879.8684	215842.8202	278476.7694	224633.214	233470.6696	55989.20052	291103.4843	279651.6769	334981.1458	718748.5985	358753.0774	144265.0608	620533.2949	662407.38	348623.973	522960.98	265256.9827	326313.1882	654934.8107	836086.1901	557477.4886	754958.1902	1860787.596	1753359.083	1665370.409	1615953.154
Formiminoglutamic acid	1035006.048	1501206.081	1121622.284	1792607.798	1800779.889	6523995.901	3096580.071	3046084.05	1593952.011	2601731.105	667093.518	415546.1474	1065134.641	675246.2699	445410.5379	4878315.342	14743728.11	2997333.358	3028058.863	3521339.962	293395.36	353552.1092	525743.4801	211786.2519	607254.8603	1094642.458	1375667.821	872502.5823	713839.7956	847325.8666	1101033.927	831972.4622	1871943.003	726230.0245	1735117.572	2119609.891	3804966.911	4026464.306	5845037.767	1960538.833	935023.5902	1056936.998	854177.7094	1880224.672	1539303.566	648494.8261	1985083.885	1343653.926	1371156.706	1105198.274	861861.391	3827209.026	899801.9599	913611.8789	1238160.481	1787335.16	10447518.96	5404335.113	2140635.636	1770095.578	1113390.166	879609.1152	548544.9697	921903.5429	1233027.342	2873139.984	3475915.301	2472134.804	2544892.315	2620781.338	1105750.028	1502558.967	804533.1146	1178649.494	1183562.407	4001491.554	6595537.509	4261671.593	4231350.601	3890589.426
Fumaric acid	37563998	23387043.4	17811482.39	21292631.74	22514084.99	15731660.11	40909919.83	23103198.33	22775398.11	13008225.17	13591039.36	13681984.48	12349561.56	9748933.679	13639953.04	11193579.71	16796093.08	22163965.77	14581162.79	24106176.26	7125909.365	3120884.821	10567843.26	3765517.335	10271051.21	7918965.447	3375844.68	5001757.05	4820360.987	3901717.279	12704271.42	4111206.837	5059044.194	4064322.481	6136599.271	7043659.151	9715192.888	16121242.6	12822575.92	8691863.848	44897501.42	44041477.86	16091610.64	30248749.42	38217629.42	18787703.01	31135260.84	40243945.45	24309438.56	41601350.58	26485328.49	34372814.24	39777161.16	39094936.08	27247966.59	32255723.64	28217613.93	39185656.97	40003442.68	42985996.44	9000847.612	12065260.68	10153846.05	31338744.87	5353046.84	11988354.49	18900103.08	14737835.32	15716822.04	12227174.19	34056763.5	19410806.54	15528249.6	20303726.11	13354072.07	10774879.02	19250258.34	15005743.68	15796385.11	15916063.81
Galactitol	9172272.177	27563785.71	54736361.51	4348596.27	6250499.116	2408870.421	12951206.06	6180929.319	7460265.28	5667905.625	3321281.051	2432244.779	3802501.402	2970807.088	2599795.08	3513976.851	3143104.795	3338166.33	4292766.779	3129756.558	5185683.944	3615737.312	4815651.73	6401608.264	3284441.23	3002683.44	3325846.247	4402435.279	2731958.659	3572480.069	2629509.508	5072309.557	6294658.755	4683519.021	5339004.418	5488602.582	2760014.508	2976495.549	3418281.781	6610028.605	6116406.316	15803913.94	12819391.1	33828355.05	60427370.58	4770866.834	3551704.467	24680878.74	4455931.275	19739654.74	7918660.601	7157433.137	18474260.63	14641996.32	31303327.77	9368260.846	8407488.5	39354852.45	8116328.94	4167983.789	10761141.27	5231425.392	3696569.374	11814772.05	11185123.34	3561303.58	5057816.813	4946781.224	10888951.01	5217794.863	4534084.928	4696325.793	4487822.321	5321661.037	3053803.867	3934800.223	5524499.816	4905220.154	3416597.752	4463088.011
Genistein	1252645.694	1529483.535	1751134.814	856898.9967	954235.8828	1751195.643	11970791.48	4786011.329	6917347.851	5451952.5	1559721.037	1435612.104	1989064.52	1542011.788	1352347.188	7355102.579	3549969.714	3627381.729	3475749.7	2874541.025	735462.2292	1142924.7	1880620.364	1312927.257	1710568.92	697231.1494	635479.4309	1730344.592	1627890.184	1620106.809	3046236.666	1235239.562	3155402.866	2676571.293	3374980.887	2420274.148	1654702.856	1877636.032	3839152.923	2564886.203	3979240.872	3034650.594	1014723.568	4606269.155	5294486.9	2436111.729	1324636.532	3952438.22	3580393.745	3846742.856	776068.0878	1834733.876	680546.1522	1068876.963	928664.4953	1550575.524	2749490.683	4027952.951	2019731.092	1577354.012	1811840.943	1153573.817	871379.1382	1739163.458	1946596.532	246186.3938	10581102.1	1075320.272	1402401.056	1289021.018	1104633.929	1513358.861	2489007.727	2899036.846	2796903.367	1657506.227	4318856.908	8334885.297	8001046.174	9043018.869
Gluconic acid	101619556.6	90271336.4	131322565.1	158706282	152871801.7	204449471.2	293579281.8	344404114.4	149853542.4	294247872.6	28619222.05	31859707.22	34968246.17	40444419.39	31880912.59	79563487.48	94079520.53	79964793.08	56969810.32	97030926.69	109710489.7	36650490.82	65496596.95	37793409.29	55802778.37	74624962.65	84077900.06	54867415.16	51764886.98	55507090.4	46044748.69	45920256.44	56534787.13	36135810.2	54036035.66	85862596.84	91485582.15	97050462.02	68211824.5	85712151.73	108903061.8	103964266	75334828.14	102421644	110013875.4	74013503.74	62064346.29	90224368.27	122480277.7	86106191.08	93566195.38	154020011.6	121821965.1	132830684.3	115469236.6	318398735.4	263192807.2	237186449.1	294164031.6	298571393.6	51133872.63	98259261.13	88941714.57	88090321.02	60569014.39	149793770.7	181613952.8	108224932.8	112462672.9	106267528.5	70334728.03	73328314.8	73537483.75	95395652.06	64420926.8	113188325	218241281.2	142791357.9	133915875.4	145904513.6
Glu-Gly	9880368.558	8831549.679	11063957.89	7598998.287	7668503.727	21328105.54	23628493.44	20073663.64	11692722.37	21036424.52	6282230.657	4103942.391	3715119.512	5700225.301	6139023.728	12109235.3	18355194.62	12204530.53	13394264.31	10608211.93	4734704.728	3538166.685	5178397.996	3505730.216	9239692.892	4603544.523	2696914.442	4509288.358	6147279.414	4537239.277	8069873.822	5080133.596	5673530.644	4846518.305	5444161.493	9112865.203	5073821.624	6946723.387	4140330.429	7844832.042	8845740.341	9893512.151	6428087.638	11442038.34	7473988.22	8314899.472	6710095.409	7846554.836	6049811.502	6160537.311	4820578.213	8898210.426	6217697.285	4577744.609	4760365.297	9943086.344	16956054.12	17935863.81	9482144.492	12429279.25	4822389.465	6629550.882	5046775.061	6637755.475	5007065.444	4049745.194	3529208.999	5461517.093	6770929.855	5223044.936	5473682.31	5558113.355	6233769.491	7314004.868	6846774.121	5486825.314	9394677.13	5275977.368	6005639.471	6518896.338
Glutamylglutamic acid	12937813.02	6834673.64	9677952.107	5881064.497	6536482.579	9783935.878	12788568.16	8074017.491	7673362.845	7121665.848	3118675.249	2145832.203	1549399.652	1903785.706	2315314.435	4057595.512	4882951.221	6372228.401	3552832.629	7342296.465	1699315.422	490897.6892	859393.0507	646352.4792	3549689.66	2656379.569	2473067.543	3155703.739	2556810.239	2813642.564	1897060.477	1958065.908	1678372.06	1543452.373	2155931.762	4881706.363	2718394.176	2459121.313	3466545.197	4622411.41	5835896.28	6124899.11	6362930.369	5416693.534	5364905.834	2872236.924	4235273.802	4398838.607	4797453.71	3356433.451	2985595.45	5676077.753	2241241.267	3640914.197	3080688.35	9583411.675	11408427.68	15972245.61	10728101.41	9280151.027	2099894.988	4151378.274	3600156.724	2278076.745	2019836.555	2085612.768	9882780.657	5720456.213	4711821.464	5868460.373	2120294.016	3351319.631	2233625.783	3584658.827	2353762.198	5492785.726	6764852.819	5969917.29	6357167.497	6054344.491
Glutamylmethionine	38409618.58	21287249.13	29483993.54	19135484.33	16745484.91	2201564.171	38897238.63	33151126.8	53421551.63	31501350.64	41564844.79	26220975.19	26063870.93	26698749.4	34709116.71	57454871.97	74206302.74	54688239.32	40103321.08	59163527.75	14919589.23	6079350.274	27359990.87	6826493.572	29238314.68	22522977.72	15870175.54	13122978.4	12980829.6	10842760.75	27123645.01	13619739.75	13892022.78	16589650.56	17226137.89	19954805.74	5834634.101	10503018.89	17239917.29	18351513.12	28622455.33	28468565.6	18696316.85	26320001.81	25662410.8	25819566.26	25532072.03	28768553.74	23326795.46	33429255.27	4773961.989	67871573.58	11196239.83	12563909.6	11497489.56	19073400.05	45651324.49	76055267.72	21542275.37	21722530.49	6736293.458	14787202.79	13528110.11	19802423.32	6768201.805	13912976.11	12271931.56	13799315.94	17386076.58	14739719.16	24414347.69	24660223.92	27122779.44	36966321.1	27799131.73	13325679.7	65539078.52	35475782.57	22143626.41	19829552.68
Glutamylserine	5323172.418	3500981.022	6034893.063	6590642.778	5729936.265	3888922.077	8635068.31	5868633.015	5108091.427	4941131.74	3278922.01	2694252.457	2690305.532	2615696.212	2160275.445	2253438.532	4349612.272	3858200.575	3760789.56	4347741.744	4104254.304	2111463.43	2690647.525	2185230.774	3021510.674	4640323.256	3313592.577	9687511.2	7432344.441	11544576.88	2927745.167	5479588.224	5125109.573	3344126.469	4583960.747	5000098.513	5131144.487	4365173.861	7464899.493	4705181.216	4057565.689	4785495.473	7374701.349	8580345.104	5920907.583	1967549.915	5744768.873	2295585.179	1756012.001	4587355.498	4034968.64	4100110.648	5722023.947	4757971.468	4209557.287	13603163.28	6393356.237	7922564.793	14197241.25	15113026.4	4228738.58	5025701.017	4309060.685	2734140.75	2705280.797	9056545.52	4413502.73	4483975.309	2886135.426	5399220.897	2973189.56	2740062.464	3583181.122	3566634.744	3786522.371	2654962.135	3518888.344	3222270.153	2989246.123	3240821.314
Glutamylthreonine	3547359.37	2602702.87	1694218.274	1911893.746	1436354.104	3230324.636	5166313.185	5684092.704	3992327.449	6662542.803	2617161.108	2585814.893	2318742.835	2307848.642	3589864.491	4133998.366	5457837.147	3785553.2	3531042.225	4618446.14	1416664.427	925246.7013	2101147.348	908310.0022	2558597.785	1436030.995	812375.5269	922669.001	1018792.589	1036295.062	2600550.224	1485646.851	2020868.723	2060986.341	2067870.787	3799076.426	1643586.377	2228791.516	2165552.435	2847563.442	3080443.099	2559406.937	1072029.531	2807314.066	2923265.328	2819637.758	2450230.497	2224252.352	3417245.346	1587115.214	696822.5368	5778204.999	734265.0499	742575.724	463356.5306	2427401.497	6599278.619	9889205.938	3093154.887	2559665.708	466874.9896	1627169.116	1627229.691	2276681.108	575636.8507	823152.0056	1565831.914	1378823.437	1491488.877	1512486.484	2777881.174	2062533.378	4700894.277	2614160.554	2943996.187	1551319.14	5720813.943	2019406.765	2279311.635	3204337.911
Glutaric acid	3993952.658	4901565.851	4746646.796	5139072.276	5571437.856	3141293.759	3685871.304	5294814.943	3612955.675	5048430.437	2407411.716	1272907.015	2501191.649	2826155.345	1224558.507	1951479.582	1014666.446	1676065.307	2997642.775	1659455.088	4036380.248	1756410.734	1961012.566	1858731.225	1682066.956	2424245.131	4061762.031	3592493.416	3328074.621	3754157.188	2543461.415	2096922.472	2662481.123	3302916.388	3088428.17	4465732.912	3994532.469	3851425.07	3967391.298	4045574.557	3546070.981	2698620.129	3815841.345	2995455.838	2600449.999	2770416.274	4168473.772	3513911.523	2511714.866	3391111.796	3382301.327	2739159.92	4521672.076	3427023.18	4674112.797	5185467.503	3107355.398	3713233.335	4496260.656	4371275.601	3760524.383	4637565.377	4378632.491	2900019.971	3534670.196	2677183.444	2605937.66	2994058.204	2099805.271	3041550.593	3104862.019	3375431.283	3291586.2	2451954.004	2883109.23	1964190.723	2503225.746	1982174.328	2882120.956	2352156.874
Glycerol	13537352.05	21824015.31	15268226.59	16513069.76	16270274.34	10729608.65	15300006.58	12895345.2	11715118.34	6135284.526	6909541.154	6833093.232	7758832.462	7887477.78	8055941.552	8583355.123	5549115.81	5847995.341	6617839.554	2050701.457	8792517.457	8410444.155	9073639.783	10624957.81	7368319.55	7777819.574	7904316.306	7455212.769	5312433.977	5400275.422	5997680.535	5524112.175	7321094.032	6463811.966	6262321.218	5805832.22	10027374.78	9796175.433	5328280.484	2165832.194	8073949.248	7245310.9	4695917.488	8500926.01	10707736.05	7936694.64	7988373.829	13235441.94	10464442.98	11950053.19	10289209.35	9659935.136	8848914.627	8190434.651	12179249.21	9519148.782	10754377.7	15034342.64	7379731.381	10191499.28	7417487.842	15980584.2	18784495.69	16050691.64	9710993.968	10083862.48	7765552.289	11221088.02	14137846.24	9000173.512	7876773.591	12460348.82	12737220.24	15522039.67	10118528.64	7346486.835	10769705.06	9306745.575	7960162.686	10416913.01
Glycerol tributanoate	48515.40773	49253.73186	110226.8668	127486.3384	60079.20136	63053.42916	527391.8232	895098.6985	840317.8428	935378.4371	66086.78515	102937.9241	54806.69865	26603.99237	51215.30163	145559.0254	193064.6581	213969.0694	118815.5525	288170.3752	228281.3942	128695.4226	91386.98585	58501.67604	85253.85635	2333735.221	2427807.704	118069.1885	131000.8321	128840.531	70227.70265	47353.98997	73400.4029	82651.77971	107170.2546	137595.1944	264629.9519	502224.1045	152647.966	273223.864	97310.96078	108826.4746	116975.0599	152682.9183	139122.0823	374120.5338	346818.3376	175765.6262	246467.2549	230621.9388	60194.21456	81519.29299	96649.9526	56701.82978	57385.62543	1016689.21	261843.683	295207.7728	1651468.63	1747634.81	98841.27184	276764.5991	356025.2646	43882.70709	126202.9483	3093110.891	1465813.276	4640978.849	292089.5064	5322921.458	47889.03948	86239.48519	77819.01223	67299.82385	41829.73827	70941.68827	337653.8179	208294.2358	207916.9928	205454.4945
Glycocholic acid	2965771.06	17459921.75	11393334.77	8141089.086	8031469.922	528868.1942	6654128.501	5913204.16	1353067.245	5832665.36	9456183.684	360916.1075	19842870.82	2090928.87	544166.2229	23396232.08	1819626.817	2678288.273	18570819.61	2502053.583	412785.198	904078.7842	634593.8633	2272619.265	524313.2289	465409.9679	626459.3147	692597.0669	448702.6367	456158.9845	429647.5809	301745.373	325940.4446	380070.8559	355762.8665	390200.6581	409478.7549	525385.0695	405680.7159	382687.3651	2606002.419	450798.8372	571498.4241	442471.9415	556357.6787	549536.1451	2981522.344	861803.6299	366312.8976	585014.1328	8997549.395	2409989.526	20356521.49	19438068.2	21656014.23	1538349.943	7022652.682	2270461.916	5173002.405	734611.9903	781839.7801	602250.0165	811473.3159	306967.6214	2539267.465	2540772.977	756750.2032	2016104.196	5148531.022	926079.7558	4909126.948	12735699.43	5160620.166	5283839.415	4802971.178	473221.4377	2184001.363	3173957.901	483780.3254	2718038.264
Glycyl-L-leucine	18671382.25	16929584.29	15936881.79	15781045.3	14835909.34	10312575.25	21594928.87	9454024.683	16419373.15	10920809.8	7270205.231	10339655	7474050.505	10695044.17	7476174.027	6614174.992	9345588.193	7855734.771	7976773.863	10847658.39	5599789.161	2896463.434	4158882.234	3150350.764	5019327.189	3051953.676	3154538.581	3779001.226	3592617.717	3971991.622	7121172.084	5631759.219	7755366.384	4930070.729	8155676.71	7419800.859	4548272.79	5151212.75	5418195.878	6807914.92	8321932.228	9258363.822	8865709.439	11909584.87	10821309.02	4517815.904	6706218.934	7411916.828	4434079.174	7693791.059	8797667.319	23743653.13	12986591.65	13085876.94	11624020.41	14331661.35	15573268.01	21407786.64	13144190.11	12706681.18	6824110.581	19155657.63	10796618.81	10006781.79	7217811.636	7764841.851	7410866.826	9284496.444	7586849.757	25209961.35	10003955.3	9058773.449	10256999.85	9580965.843	10492682.06	4941718.015	7051718.489	17551113.78	6330087.963	6037174.999
Glycylproline	13381036.15	6123610.155	11285185.16	17589293.25	4183432.698	4459987.748	10891857.85	7313006.546	7710248.246	3493878.544	3450454.407	3549303.685	3807442.873	3938990.29	3808371.225	4859105.743	7958611.542	5419058.717	4406973.45	6186414.086	4065216.036	2669601.643	6981295.953	3050256.531	6947514.258	2762693.658	1976549.597	2628392.517	2532541.459	2358776.045	4655637.177	3385495.449	3256163.683	2105899.058	4481382.971	2208705.77	1766216.383	1185912.899	2507404.152	2718080.288	7500465.487	6197372.474	4512046.326	8894344.449	8628061.675	2405124.85	5710455.426	5769129.252	3214097.48	5676529.588	3818744.476	7225481.741	4435485.619	10264563.3	3660834.808	5590583.044	8953539.921	9761488.427	13471808.77	11460997.62	6787785.439	5699988.017	4814306.279	7161105.026	5881392.63	3784786.345	5183883.373	6152171.929	4760851.785	6092580.797	9247012.709	5212318.231	6484799.313	6574589.403	6338565.294	4024272.233	6444541.808	4906624.275	4622603.952	4362231.094
Hexadecanedioic acid	2954961.497	12000931.22	28776992.63	13197353.58	15956373.19	5673256.074	8103553.47	22893052.61	11858781.59	24982660.23	5265393.241	3687681.858	4599785.951	2934892.495	3243128.817	1606037.122	1635610.568	2420462.053	1294894.85	2955340.157	659327571.6	377498688.8	71211162.32	406677289.8	68079629.09	70985732.21	70249033.79	11335902.16	22291405.03	14007628.55	2822113.655	1976603.954	2587305.274	2712131.355	3096489.601	2169084.615	4358389.63	3742178.462	2113913.091	2306173.561	14270913.36	10308957.44	4414240.094	7207612.174	7494484.678	9420654.329	13474175.56	20894536.47	11094270.57	20806268.27	30313255.93	20760277.41	50216152.63	53192812.02	55817458.94	26353375.29	8022249.058	12686876.46	26201040.42	22459635.53	43242447.13	107486308.7	101434044.9	25002454.92	40911973.13	56727847.86	8283544.367	35231722.94	5799502.558	41314337.33	9242611.682	10611482.63	18967144.36	8617297.815	19672215.64	4822939.181	6943541.517	9350529.77	10122542.66	9289540.735
Hexanamide	4890015.415	3334843.305	8123187.65	5796941.213	3711526.999	4318985.181	9176259.816	4699585.004	4068983.029	1331799.628	1150952.759	1012234.794	1208730.291	1362350.795	1453511.586	1668868.972	9531250.158	3061259.956	1581135.634	1429119.877	10788017.3	2257163.473	4391928.603	2237374.399	5156447.357	5209574.169	3115535.736	3988062.877	3814515.323	2711825.102	8716972.324	7492745.033	7682345.237	8525031.302	8371431.03	4380015.958	8108747.067	11593094.52	10663012.67	6238009.812	9690980.861	10664017.59	4749379.673	15301706.21	16007184.83	1231650.878	3790372.612	6672617.689	1985611.138	6704981.456	1953279.832	1451422.158	68285234.22	68761165.84	68593549.76	7834721.506	4704962.787	9580340.932	7083263.659	2038255.441	27344135.27	44655199.41	45489933.87	25773902.15	27204544.55	16238641.04	17208941.27	32398211.45	9104244.045	28343886.4	1696034.456	2031837.015	991803.8558	1373344.989	1095322.603	15638650.88	15784261.27	16899586.93	21860389.94	19520585.9
Hexanoylglycine	22465904.64	62981391.56	95475000	77133895.4	73518011.5	136098689.4	143600156.1	308092246.4	136139282.4	297076293.6	8473771.389	13108903.97	31247497.03	23871190.01	12785512.73	57945506.36	133735338.2	151567145.9	153579597.8	151154043.9	169876942.7	90473194.62	92493679.2	90536201.25	96155602.22	223023255.6	465071863.9	142202274.2	122213495.2	148291558.1	6729480.804	22908064.88	35767986.47	15534773.27	34428868.64	87761657.34	181441422.8	274398778.7	96065104.86	89646218.97	105545706.3	76725956.09	32372008.06	94288170.25	97127730.41	150382202.6	102173603.8	145078612.8	232963663.7	134477534.5	114525719.4	134738515.6	123954404	121021780	127362061.4	351025974.2	307214608.4	113111720	343003634.6	332534303.3	153105203.2	256439160.2	238767443.5	54156795.69	152218587.7	752811893.1	172134505	621695779.6	212698099.4	667955129.6	64395464.98	98271344.29	224848748	69627255.9	224279940.5	222990566.1	175579547.1	212343897	192404650.3	206777292.5
Hippuric acid	158890183	96203940.8	117944883.8	236985262.8	248336501.7	136297624.5	498724463.5	371921449.6	79253093.33	360332778.1	190704551.6	149923066.8	149852964.7	121477600	142988962.2	310248042.3	275693928.4	132931951.5	133346383.4	134723720.3	511202057.1	394452428.9	318029703.5	435183705.4	338156735.7	185808541	122803652.4	191987564.5	203608448.6	195299657.1	128687385.3	46515290.82	232114935.5	257265351.6	237802517.6	141191620	170698437.7	127141158.6	124697068.7	141382842.3	470591150.3	915832463.2	757235859.7	1385781990	1416430353	76914410.03	217938739.1	422233250	116436902.7	415866368.9	26573846.25	262636172.6	94510374.85	95713368.33	102088525.7	60471615.84	186442451.7	661165688.3	60569591.63	62182717.88	63556406.29	78440371.47	74058373.13	95698576.96	62733968.53	91983411.47	319890446.7	136447765.7	137130614.2	144141028.5	74134631.62	83341451.55	209859023.6	417483618.9	206318316.2	139308990.1	285162633	245661581.1	252943479.3	250466150.5
Histamine	11489091.73	1614111.247	5161032.358	1240993.793	1695900.61	2164117.847	1729899.717	1301128.95	1378623.393	1717141.157	12219856.1	48453692.85	10886781.34	14675303.72	46756123.27	15506172.33	1485009.944	2066464.743	1426204.256	2445801.557	1574815.961	1620226.757	9114080.222	1113930.545	8304159.669	2561440.294	925675.4159	1797586.05	2055260.391	1221212.963	11833109.18	3614409.971	9608185.667	12221320.34	11694908.26	3574642.957	5476133.431	6168016.606	6795697.287	3342744.259	3810992.035	3186043.356	2377579.93	2625756.27	2226843.679	2101307.23	2547733.569	2272805.63	1308255.13	1974485.775	1706186.584	2810991.332	1377234.815	1441076.811	1644505.179	1888331.993	1928682.402	1901813.736	1723646.387	1931744.573	2119543.337	7706687.626	8047545.088	4980308.07	1820175.828	1551333.598	1600631.767	2097135.218	1294838.163	1594411.742	1414095.449	5184938.862	2505992.933	2759680.238	2859903.621	1045165.69	1309902.685	1727821.186	1311469.977	833660.6892
Hypoxanthine	25799916.19	43428302.47	27256942.41	34675585.13	33633819.21	18101861.88	24412619.72	27771697.68	18583503.27	26832805.01	30586352.27	42134126.02	30382800.81	29664566.47	41517926.48	20015412.4	15927892.73	20775804.03	15679713.35	18422468.1	18014209.66	16995824.83	35827333.98	15071225.1	31230138.54	20149869.51	20895466.74	13560388.5	115809926.7	16796726.71	43916476.11	31984348.56	44376881.54	41392981.39	51210848.35	40506190.32	38958022.92	29019622.89	49624967.23	39231427.41	76541428.26	60479793.21	12624347.57	14777095.15	13753604.23	78029264.35	32211045.28	17155189.59	65520995.61	24309152.02	15538717.85	91378312.26	27597651.93	26816699.32	25908402.03	55438417.39	100000454.6	122623996.6	61986446.35	50045208.5	12845878.13	20594423.58	15656691.3	88055440.14	15403240.11	14679786.56	37045441.39	14735222.27	65854235.15	16505762.21	26143099.29	13398048.16	45000236.2	82517550.26	41004030.84	9105755.914	26143861.65	12614596.75	14933223.52	15442720.1
Indole	2384889.385	935551.1842	1948707.265	3908369.467	4018419.704	2240359.171	8098332.696	4503193.059	1414644.367	5847974.083	2568974.111	1737142.965	1955807.58	1571117.731	1661238.361	3864750.81	3944627.316	1866465.943	1717668.608	1841717.079	8615639.096	5589029.089	3757582.484	5413695.542	4598119.53	2771845.337	1840081.987	3400672.859	2938120.677	2770652.935	1753795.812	514098.8517	3090754.637	3971836.095	3665192.949	2257349.78	2460691.274	2121151.937	1908622.299	1914147.745	7480074.171	14895004.18	11101565.12	20764156.09	21561499.21	1646680.258	3637258.129	6896411.138	1460600.068	7098041.235	2712428.699	3538642.227	1252451.6	3187332.347	1341366.93	2677735.022	4683386.662	11716901.58	2656586.774	2771405.502	610181.7403	922947.4398	855532.2758	1338245.107	700351.0374	1072915.515	5130825.183	1417237.583	1533932.801	2043150.811	863797.8757	873493.7598	3170741.152	6713226.072	2869949.53	1800132.994	4147549.78	3195369.67	3315526.313	3022251.365
Indoleacrylic acid	4010800.065	3206624.648	2309236.57	3394502.902	3503055.168	739191.8241	4436443.58	2546104.995	4651044.936	2395482.948	2905888.224	2020065.266	2200845.414	1873672.229	1931607.166	2823895.38	3387997.749	3253480.238	1914595.73	3652769.893	5424673.644	3767621.21	3711562.634	3499463.675	3745836.893	2424160.667	2617955.094	3300498.806	3440096.993	4124836.414	2404876.958	1763409.706	1724988.974	2183660.074	2160103.185	2008456.112	1528940.326	1617043.753	2507549.564	1879867.528	9003812.265	12200200.59	5955163.307	20484160.88	20143136.09	2200639.289	2192032.089	5765196.563	2907038.404	6883396.365	2316802.305	4493588.56	6402097.316	6125104.527	6627163.107	4245909.475	5619991.345	8121022.372	4806575.928	4809868.924	5019322.589	5209854.181	4857595.844	5464744.44	5149592.123	2601510.757	2686183.88	5079926.871	1897938.699	5535833.529	5385722.161	2748121.814	4112516.789	6145477.956	4487559.468	1984641.866	3608798.847	3593765.469	3557163.216	3115195.649
Indolelactic acid	191111877.4	166798934.5	182217079.2	185796261.5	187970699.6	39121204.42	189479720.8	82271010.51	161406630.4	79838301.25	58335574.66	68221808.94	83961006.11	66929776.53	63002248.17	54691195.91	50365498.84	59262116.41	41032482.9	54294241.98	126337430.8	82175742.5	88777487.54	85015300.89	82962666.97	70568919.36	83979462.76	65529841.1	65782677.32	65250060.44	104530443.8	108211353.5	118438011.1	113510392.5	133075315.1	97995389.7	62970735.8	68922404.22	144774089.3	92743013.25	226748655.2	350871347.1	187572179.7	571666872.2	549803625.7	49558044.35	62112211.17	165749386.4	58594688.61	172053473.1	103609187.5	229122665.4	239816631.7	242736315.8	255873987.9	133352940.9	136671302.7	213637963.4	140347688.6	130214915.2	238034877.1	206464790.5	213528781.1	157608827	225992765.1	96474389.19	128876419.5	108114606.6	53468963.08	112177415.6	147617396.7	148751716.1	104413559.9	131086366.9	116719548.3	88114411.82	67724664.05	81962410.95	86086485.9	77112446.99
Indoxyl sulfate	259058412.3	150089092.1	193288500.2	489121210.6	528142489.2	269850084.4	426256626	311061416.8	235659116.4	307942926.9	154509.9224	227860.5938	378391915.6	121075.5939	325800072.4	123234653.1	86987.11273	114157495.4	103043052.8	90100.4685	461125887.5	511590229.5	419996181	542426377.5	319854103.3	146406489.8	155128943.3	203693122.8	196407718.8	242089511.6	234208293	2595004.572	175765251.9	256095750.4	219738628.9	85171486.67	124836916	92196521.02	35284257.95	85670391.09	247025385.9	517056889.6	353414489.1	637039366.7	573246528.3	150822243.4	239148516.1	606226841.5	133883941.1	443856327	23647874.59	245273944.9	151254407.7	152086463.6	152945941.9	26235490.84	88385800.65	232536845.2	31328534.21	29809245.61	69832453.22	49321506.19	82343.61658	207937640.8	87201.99756	32158485.88	97935.35828	84992.38236	88253.63685	26925660.75	305337541.2	266937001.8	279041611.3	516420662	266764913.2	99572.62318	102725824.3	103889670.2	113276187.7	119775655.6
Isobutyrylglycine	16239175.57	44753688.65	35477852.44	43664749.31	41490461.02	86881692.41	311083526.3	167598209.5	69605212.65	158881465.5	7941356.87	11068989.99	18515921.14	20491833.52	10694175.02	35361677.3	123041451.5	120672746.5	71671966.86	129718782.7	64418284.36	58694591.24	60042849.09	54919003.49	62899554.01	116618788.2	39635973.83	72603147.03	66215845.85	74023339.6	4764989.417	8794614.623	10142977.73	9345943.878	10695166.99	15456309.18	21098483.32	22799652	14563828.81	15130046.43	263359578.1	216654477.3	60368813.77	377453673.8	322419389.9	29542716.58	105183528.7	156070028.5	119219951.6	168146193.7	46027257.02	216029759.7	83217818.8	104022059.4	87968133.98	108436698.2	123327775.8	56537498.34	103859828.1	110274731.5	30402840.28	89908287.04	89489892.41	17413685.83	34093501.83	149817553.7	80480630.2	155288021.3	60175087.12	165135055.3	25869975.59	26153214.37	47688504.29	49198885.51	46665924.79	68290989.84	80505347.73	166922239	75877284.83	167839799
Itaconic acid	263404331.5	434027781.9	443319396.9	123603891.6	114606997.2	21958263.8	494668664.8	360487642.2	449816123.9	268640081.1	37507912.44	339921763.4	121323494.5	99608712.5	377665555.2	310536295.6	473256061.5	593276292.3	238728450.4	586028769.6	55517527.63	18472901.77	25733669.17	19767603.72	22285710.56	30701979.73	38863214.02	20273690.14	25140874.45	24986775.15	18040229.12	8597771.742	13892537.58	12656848.36	14089724.17	26996301.26	18556018.75	20905093.76	24126747.41	33874625.55	245693399.7	42696177.87	29496625.06	46349247.09	48163567.93	84217263.42	553234843.5	419511971.3	355672083.1	444423233.2	225582216	466113861.1	597841668.6	616341551.1	480538546.7	700529201.8	496243867.8	683485475.6	954238360	615507858.7	368430080.4	450802022.3	346644664.2	260998408.9	341598175.5	456261869.5	308918162.1	466252400.4	390826100.7	456372008.4	192847547.6	393179279.5	194453134.8	227392849.8	220345040.8	189179552.1	251648877.1	177536694.2	180323189.9	180823583.4
Kyotorphin	2309200.356	2541782.567	2351544.359	3091359.667	3009661.081	2130883.133	3392741.621	3871768.115	2624555.206	3890225.247	5595165.409	4198268.324	7161809.333	3646700.651	4029461.832	6551702.215	5185344.637	4570394.26	5536571.505	4299819.438	6577222.885	3030488.31	2957312.391	3045710.239	3288478.835	9100601.887	6872773.646	6244107.318	4481977.62	6051763.565	6880060.235	17793751.08	5776413.697	7034983.463	5173823.41	3050991.934	6125057.836	6373778.301	6282182.788	3368325.526	5624532.084	6936995.483	8575520.814	7078707.853	8648619.921	8762620.571	11778018.27	7963422.31	5663290.493	6400035.963	4354654.414	7286084.483	3122234.948	1779612.905	3119746.866	7383364.693	5196873.482	3817569.833	5001367.04	5936804.32	6590147.344	5019474.317	5237762.246	5414237.503	7078099.113	3032329.138	4627394.203	4586003.496	3724783.367	4311466.504	6740977.93	3764555.557	3568706.405	5439988.393	3546922.97	6885283.061	5953843.818	5449248.467	7793190.459	5712142.434
L-Acetylcarnitine	253249927.5	184461533.2	290130464.7	198564311.6	171181403.4	219339577.6	368468610.7	273989427.7	219515067.9	259680234.4	592867698.8	790278751	691460973.3	711207294.5	718329476.2	560060421.1	507961378.8	633538501.3	571239225.5	686542104.8	597397424.2	603352765.7	626109300	606943965.1	694249145.2	480948473.6	308583411.3	384053663.9	443503419.6	390873675.1	336555680.3	243627080.1	332271977.1	309439615.4	341853980.9	311591218.3	499595257.3	523850559.8	334469830.5	332465929.1	754019923.3	579689245.1	645719622.3	575751193.2	452639920.7	502334279.3	462995372.3	407607848.1	505088444.2	381539259.3	248910551.7	160778542.6	274170325.9	313914978.4	277952706.5	259139983.7	156627773	191460351.8	270441308.9	247993568.4	266057669.5	332523527	894460172.3	233200738.6	242937023.9	551296707.2	254736126.2	411725741.6	640668355.8	391188225.3	230267590.7	208612480.7	293899689.8	163985710.3	294970893.7	182400453.9	264046993.8	213521895.5	203977595.6	176043947
L-Arginine	529504529.6	454033173.5	408466185.7	449712561	340668993.5	242455473.6	684944851.2	180303118.1	409261875.8	152397891	668668837.6	454275714.8	506330930.9	456415911.6	478700518.7	375976212.2	378451412.1	408735487.2	616024784.7	360402945.1	401355643.5	312726420.5	571774401	342552598.3	642659074.5	195571634.6	309667273.4	483283834.9	476261140.8	491746618.5	701226693.9	480990626.1	647762462.4	651662993.1	642614589	368175322.8	183624603.4	114638989.8	145992308.5	321009896.3	385573641.8	411565645.2	426090228.1	600589679.3	565927594.8	234598379.5	268681558.9	345831467.5	331870389.9	335605180.1	188760149.2	489838064.5	255299601.8	273060441.2	283523352.5	210690470.1	256699126.4	388031301.3	179287261.1	216040206.7	247054642.7	251607937.1	231712352.4	411582336.8	314203953.7	130632525.5	250773725.7	122409728.5	178657567.5	154396512.5	405936591.6	318807765.7	366401082.3	523336500	436154059.7	187684231.2	219923622.9	238336556.9	266307734.4	247628704.5
L-Asparagine	45196111.49	38477878.31	29952361.79	42308257.41	41674666.86	115961372.9	75953267.58	57142444.9	45836245.04	53034672.62	40284421.27	14232293.48	11721938.52	9440553.533	10899472.06	18386942.33	12004777.15	56732766.45	19450601.66	61678564.31	13841559.91	9084154.266	73403387.61	14351849.64	67183333.06	43866756.87	11334080.87	62727208.31	52009388.12	48915923.95	31411818.43	22863426.94	14206783.42	43447144.96	40337811.27	33063235.14	24130959.59	34608809.68	30030362.78	47480947.45	54284359.03	57981407.4	27355531.83	53282475.73	57863282.7	25642370.91	37380031.99	52331380.45	40265960.97	44671705.85	35438568.88	43361560.91	139357394.8	95421153.62	115459599.1	88354211.64	92209193.14	63933108.43	89495314.17	78246594.83	40900724.47	21510028.15	61312384.45	19442405.29	34505101.13	49657286.49	60166048.62	18270439.06	10285135.26	52166127.96	51568578.31	22819715.23	36349978.97	40606755.22	43225241.49	41330257.74	95086034.3	45260032.86	43370969.02	54702291.16
L-Carnitine	350755838.9	275409913.9	249120686.2	219019362.7	277014511.4	456476753.3	418729284.5	284537276.2	599982772.1	265957520.3	755127340.9	957421056.7	789241281.5	780837091.9	830901258.2	1241207389	1188149973	761231019.1	1293652316	806689391.8	227704564.1	251227413.1	564398510.5	260360597.5	668871316.5	495656760.9	256514540.9	640812399.9	759431138.2	593736533.5	382863675.1	619867333.8	615524515.5	569197389.1	577750333.9	921184251.1	547060750.7	615232210.9	749212672	1030876482	541259467.3	528252464.4	607916985.3	452522766	441577613.5	530143514.3	445248589.9	352963458.8	361686381.2	318631732.5	428323804	244932002.2	393957217.5	414600049.4	355685950.3	400038141.2	395806588.6	295966666.4	406169692.8	339674682.9	234468889.1	300095539.5	242585976.8	331921375.2	386022637	475239900.2	537978237.2	416881614.7	503661145.1	447282757.2	368173577.5	280952908.1	322773276.8	433194145.1	362604440.1	532227775.7	562220664.6	552178443.5	543161176.2	562710227.4
Leucyl-Glutamate	33386992.08	25708682.28	25454812.98	19580664.33	19568048.41	39535219.2	72823212.55	62880042.38	49784856.39	59860104.04	30221821.48	34260723.41	31917561.81	24948035.33	30744256.23	58070154.35	62763422.74	57302209.36	43388421.87	55003702.69	25623487.36	14541501.98	22959669.35	14093886.43	24596954.26	22743986.5	19105074.5	19669439.81	19087717.59	20980365.19	29355715.06	14609912.54	24223802.52	18489396.27	23021073.18	41739161.01	22731311.41	30705127.55	33835233.91	44407467.89	33473779.08	32430285.42	25751262.42	36464630.76	35537218.22	37347758.46	31307734.5	29906081.71	37945190.9	29155402.79	13551405.98	68362766.61	18936972.04	18498259.01	17701671.79	39688300.48	64987380.57	132401304.9	40803506.63	39511259.65	14669153.43	23737993.91	21681171.87	22635057.45	14618547.58	14359525.38	20206671.52	25849752.11	23814035.26	26835716.8	22595479.1	24116475.49	27531127.09	33826485.01	26039798.01	17439495.56	37037125.83	28018635.33	26384703.96	27335949.9
Leucylproline	24760669.01	8242583.623	21831682.13	3745597.112	3918435.128	9891508.926	45650602.29	2872318.943	14977563.29	4416271.051	686064.1853	553190.6359	540821.9406	509349.0729	519364.6532	515321.5585	454448.0092	448418.7134	575287.9251	507390.1523	691177.2168	1358775.983	4553101.013	1406047.524	549257.9602	867132.9265	883641.504	742990.046	688517.6678	761573.8173	2923730.043	1100048.479	651483.0939	1729633.746	2738127.16	2311922.196	3049055.607	876783.2435	903247.0692	3014446.573	664368.0219	839291.4662	1723396.733	728006.284	14949336.5	1123115.475	873548.8245	5968968.473	1648253.98	4884870.53	1386446.154	9963327.716	4910737.971	3951105.824	4255510.606	4903619.551	3660234.078	4370408.686	5059664.605	5963607.837	541823.4979	530202.169	509052.6647	510681.2628	512119.1268	515186.6518	601019.9895	546029.4549	500078.3664	512888.4907	607756.1456	477469.9246	448939.9665	441631.0203	426835.8059	647654.6325	489441.9976	562368.7591	673719.8246	540551.5088
Levulinic acid	1505155.92	2279328.511	1594296.639	1150523.12	1931567.392	2245265.565	1402385.544	1688920.641	2335348.965	2066907.476	4951976.964	2326628.373	3655578.398	2440311.443	2567172.961	3393916.267	1879604.152	2698883.274	3858593.663	3026386.176	4825311.958	1690886.227	1600132.297	1568938.179	1555925.873	9214935.087	8624445.263	8419802.788	5618961.453	8009059.207	6683618.291	4571158.945	5356054.688	9011618.099	5726539.003	1769711.441	7434556.244	10625530.27	8432551.489	1472131.759	6146449.155	7216019.597	9016529.511	6140549	6246371.803	11518997.6	8513546.349	9593907.633	4762693.391	9881905.636	2302033.953	4056977.818	2311505.3	2701352.858	2770188.155	4086738.663	1809544.2	3819284.991	1847445.909	4095889.906	2712962.985	2810418.792	3962861.06	2962441.667	2474203.54	2801417.21	3462952.763	2036656.896	1939393.083	2022687.459	4917663.673	3022771.738	1950200.122	2345923.404	2067733.738	3801214.821	3724983.149	3119916.511	4931652.391	3186372.967
L-Glutamine	395168180.8	442515398.1	421517978	446711788.2	323835763.8	503297563.1	613214591.5	389770068.2	392298403	345726986.2	619237960.2	487820013.4	517128083.2	484630399.7	541440994.5	448021609.5	486219675.1	564525024.6	561970245.4	525444830.2	591534831.5	470251951.1	551500106.3	526030715.2	603221215	725891668.2	460856415.2	568511517.3	584724268.7	598938121.3	464439388	315496215.3	427415926.3	477958244.4	434129608.9	283262638.7	275102190.2	392164805.8	240342995	260048018.6	631787152.3	561888054	526128407.4	875217397.1	584495823.4	807502790	520704685.6	753925934.8	771332950.5	671958341.8	445027348.7	445926135.3	376257810.2	399615898	393354109.7	493003223.1	294824461.9	457909070.5	470871260.9	433085300.5	273747875.4	414161980.9	501182944.1	489728526	394470669.9	333877030.3	321071620.7	311136229.3	405663246.7	346205094.6	362780679.1	327996743.3	274153722.2	421911512.8	391798935	286772163.1	284896363	312982678.7	333581737.6	323574556.3
L-Histidine	220144134.9	129090249.7	127098520.5	165269234.7	133088801.5	86055669.22	185785770.3	136101451.7	126159698.8	127563661.7	109796839.1	131706091.6	113870205	105339256.8	94182538.73	116930727	141002972.9	135170949.2	147212841.9	105948465.8	169443669.1	123947599.9	178053168.7	137853720.6	96647801.47	84209839.66	95263766.9	161470735.1	151678926.7	186034440.5	127143565.9	103635816.6	130489494.1	139173563.2	120432552.4	91508740.36	77811941.24	94891080.05	72664316.19	76137950.57	157479970.7	122875469.9	73542668.02	199728534.2	160256631.9	100339711	108618034.3	128384811.7	73488366.88	119384719.6	75103786.74	129330466.8	141904914.9	140403701.2	128671302.2	159847462.1	97678889.05	122131076.1	139853574.3	126252548.8	93242068.9	111218311.7	117281785.5	105224823.5	80168068.17	86712218.98	90742062.99	86012345.17	70346703.19	95151803.45	65266427.03	65624505.83	72838972.8	83785529.17	44674593.33	77486196.73	84710701.88	82047597.11	77272729.09	85393586.77
L-Lysine	886593270	612664170.7	572164466.2	509184425.2	510326011.9	313956565.6	985876143.6	447033888.5	693092135.3	434426252.6	876421931.9	609464272.8	716045294.2	691593949.4	635146064.4	475256794.3	398057340.4	517547117.9	564333294.1	475805162.6	1107568649	611376225.6	928754919	642916239.8	855662711.1	802638931.3	699841651.9	899273569.1	795617581	924425365.7	867693608.3	461852166.1	668799229.6	689626311.9	683777008.3	311184139.8	256013869.3	255933959.9	307455108	315957183.4	829427773.8	812206646.5	546820986.4	872069538.5	874797418.3	409926546.4	595414949.8	686716643.1	486471354.4	652590724.8	247442013.1	775209467.3	390461108.3	408849974.8	503760206.6	426985061	415460602.3	554168155.4	398897417.7	391907261.9	295768772.2	447139321.7	402522827.7	458602353.9	291270321.8	284925191	435836430.4	237514561.3	342075522.9	297744376.3	402936352.4	363442609	477791266.9	487351675.8	442434994.3	199274677.3	357865419.8	315699297	319788662.5	291936129.3
L-Methionine	1049274328	670616623.7	857190250.4	698749224.2	732013735.5	849274998.6	1164541038	906005914.6	1112508694	894841136	1341097000	1120300823	1001692193	828712184.4	1003034418	1136713005	983542985.6	1041369986	1153164963	1012370353	799018083.9	648633928.5	1049201242	687197374.8	1081000829	1025672963	850422892.4	982357938.8	914537655.6	994908013.3	1015290351	466321168.1	740092511	746177687	749103715.9	655752468.7	594841173.9	674415006.1	710745043.4	666464567.2	838582700.4	878439581.7	556525500.2	897251996.5	805361090.3	805387546.2	943811000.7	808252162.5	717644742.6	879902513.2	349486350.4	1273655549	461142467.5	453468319.3	445410849	644948913.1	750551041.3	973104733.5	655053422.2	633874604.9	291593244.7	404068012.9	344093186.7	537050296.3	272330596.2	419618657.4	596737992.4	318835512.1	1043640555	337425701	701827798.7	560536427.6	777542186.9	770844167.5	754771202.1	392222772.2	751167055.5	459122475.4	515946693.1	449189701.4
Lopinavir	33191949.22	29693776.39	48921709.45	15434742.89	53476531.28	19061462.74	33026457.76	20940552.34	8569082.621	19207166.11	18098902.36	57702653.51	57698471.28	46464662.25	56608511.83	51713863.57	6626132.158	30015080.15	39225693.82	31961018.67	22217658.31	33793752.88	64647460.29	44196493.51	11314702.67	45565098.61	37334685.77	14100049.49	53167053.51	22052746.83	31297973.33	20013828.54	29834228.88	35267408.37	16558639.5	42139268.07	30856942.07	43688019.67	18680858.44	19524231.88	25336873.66	27781411.48	44388589.01	31575011.54	28392255.75	38490912.06	47769615.26	26173782.33	32372682.58	27528984.31	60624762.78	13681047.45	32479397.13	40904824.97	34330754.98	56850803.57	59189889.38	44528342.56	62948517.73	7250855.801	51890180.42	32384185.91	24624969.21	30334668.81	53119006.86	38682694.18	29842292.87	43297649.34	31937834.77	45605000.26	41550683.15	35074436.45	12003283.88	16337877.54	40223120.34	47685935.83	36894039.67	45111701.68	61912297.65	45289414.3
Loxoprofen	10653980.14	9521111.737	23727460.27	11729706.94	10269278.65	10534340.45	15002012.26	12935577.77	12642999.69	13799657.35	12412688.3	25016195.64	16281896.67	40464112.7	24192772.65	9772754.198	11142376.01	7899162.516	10916590.13	8155758.111	11450637.66	10821968.2	28226857.13	10406541.81	27947169.41	24633005.18	24929060.47	6757551.979	15385386.92	7935376.206	9354205.792	9955374.612	8745662.659	18281800.15	10401001.22	26955899.33	16190630	22273641.22	15247095.94	28816467.62	10168618.69	11115759.52	22104554.41	14311723.14	13863300.59	24131535.98	25691714.45	16850616.21	10540960.01	17565423.37	36892109.06	18105011.26	16055929.01	25706158.97	14520649.28	24043351.33	18861272.9	8126774.112	26120153.61	21763851.58	13430005.51	16071711.56	7028138.92	8203747.007	14031810.6	14508118.34	8500841.164	10025056.42	15214820.01	10623581.73	17309035.93	10502085.52	8127462.543	12174774.56	8827047.038	11364678.1	16953587.16	14876277.6	23223006.9	14569518.3
L-Phenylalanine	621721.8187	560524.5276	485188.37	618572.8776	509059.9221	385012.6757	1026242.407	529217.4165	1066181.283	520412.2007	499943.4083	344059.8827	548372.7829	402859.209	229024.7763	381572.4482	581916.8284	571856.8757	368408.9595	559929.0761	1837285.497	1072392.869	1201182.061	1203084.32	1282355.926	450633.714	555360.3933	1214539.921	1234263.175	1377033.579	444529.4027	270039.3175	388866.978	368885.5119	352553.4567	219884.5764	264818.2807	257510.0409	199278.4986	241957.2866	777096.3419	1036217.742	1026371.314	1233602.018	1299706.003	480372.0986	483476.0889	811977.8165	334083.7039	927042.5082	380965.7501	1572134.672	1158739.211	1134981.553	1275359.225	876856.8678	421305.1877	802743.4416	799112.4509	930780.8168	935453.9462	1667580.669	1616113.643	612332.6841	1064587.835	1111251.887	447709.4533	922954.7615	158270.8427	1127282.888	573439.3858	607612.5025	501293.0798	648264.1431	531845.33	280903.2286	586217.977	572287.6555	489541.4448	577098.12
L-Prolinamide	627695875.3	520700536.4	400062190.7	379666638.2	365335453.8	219078045.7	731928654.4	343173784.8	588442422.6	329153588.1	640775432.9	447044567.3	517967822.2	504694824.2	458088175.9	348706933	293185232.5	383485639.8	410236009	357271590.3	837327805.9	445099796.4	677561211.3	478043772.5	636665267.2	591438575	515723414.7	649866682.3	563885278.7	655723967	644466145.1	343858059.7	504258685.3	490764967.5	510740144	223947899.7	191720341.3	213159210.1	226270821.7	235888794.6	629480091.3	609346933.8	402643880.3	657254339.6	639957100.5	328532033.8	427948948	506728085.3	363113629.8	489102846.9	174672016.7	560175013	259599649	292948084.7	371776197.7	292377033.2	299516505.2	397867044.8	291499147.1	294751608.9	217178070.1	333199780	296676623.5	337232047.3	215329783.6	205341749.2	327886607	194378229.9	252991918.9	227462338.7	305758608.3	263735078.7	357394674.1	347830778.5	327965483	150103276.5	271546948.9	237360161	244203586.9	220489210.7
L-Serine	257929054.5	304731108.5	286648152.9	320286736.5	223289889.7	335679883	418157187.8	253260720	265533586.5	230235724.9	418539993.2	282120551.2	297848042	304599976.4	346670133.9	267332855.1	299127244.9	380845343.3	408336813.8	374913683.2	317220574.2	309718753.4	370990055.4	259502965.3	402697380.1	506944153.5	284603045.4	375403059.2	399612400.4	392400803.7	322936163.7	232703893.4	312165066.9	346821405.3	304867443.7	207568996.3	180406644.5	257081001	167136363	182030013.5	405188933.8	396635083.7	370861359.1	605284511.6	389327445.4	504246223.3	319818224.4	451682252.7	416473436.4	393335474	311315938.9	301639423.9	253255604.3	265742896.4	277387451.7	348658721.8	205840407.6	307581886.9	308740357.9	290788212.4	180693799.9	275255949.3	341496434.4	331916333.8	276316672.4	226092785.2	217922219.6	211214733.1	258070174.7	246242963	238846981.3	215790416.5	190942067.3	291179679.3	269367809.6	199936375.7	198569544.1	209538444.3	227475111.2	257640889.9
L-Threonine	65790197.86	43865375.49	45469196.52	30621885.74	36238161.18	41203227.95	76460065.27	53729485.17	50416154.82	48590263.37	137955910.4	102747782	59955253.13	55696749.76	88541890.56	45396762.22	53215743.4	53196000.43	76148627.63	54330909.44	76157006.13	44527692.89	97192473.75	54417558.47	99290868.06	98324612.07	53598988.07	77758812.99	83200797.79	75110030.5	97514232.54	43898530.8	64780542.61	84171543.97	72752330.29	41845239.23	31066291.53	33398029.83	36449885.15	43513547.73	75086285.1	72591823.17	37686971.76	73620339.52	66633731.1	47297088.38	53930110.16	54493026.08	55230922.44	60224027.23	21766227.04	90792655.85	22379000.71	23348731.9	19949072.02	26567952.56	46673795.4	49480328.26	27965585.85	23127671.89	14493312.68	20591238.08	24844773.13	38675414.85	23220379.65	19965836.91	23318065.33	17340307.59	28446166.33	18842356.56	45596091.41	31266655.6	47820223.12	52113186.62	64469356.43	21782293.59	29024594.67	27942163.48	20458239.23	28230053.84
L-Tyrosine	293753692.7	220310480.8	177790637.3	138248856.8	140099066	3433467.762	660764906	269163505.2	322233756.9	281335094.5	303695274.6	152859514.5	195315136	243706253	168280881.8	206201393.8	206748905.9	235227716.7	228344257.8	238252139.4	217199701.8	118597327.4	230767448.9	120594611.3	201240623.9	194518500.7	269065968.2	226042084	257521362	291847246.1	178326836.9	225620538.7	141953342.4	148789619.2	201376244	203325399.9	168321975	122109696.3	171978898.6	196239603.7	197539217	272658331	177437786.8	225321039.5	282878666.4	138827656	162005886.2	178405765.6	132583903.5	172149334.4	160752520.2	318891178.7	174547530.4	182307856.6	150189037	200998049.4	164576518.4	308483512.1	179291186.9	174987889.7	101625220.3	149805079.5	82251855.8	173134774.4	103198493.2	97617026.9	107254770	117913653.1	236665410.3	113146923.2	127064333.4	112664402.8	157296116.1	153622761.3	147113105.5	100514662.3	97409581.5	87599339.92	138950526	118863887.6
Lunacalcipol	14597896.45	21862080.79	34262092.85	18849032	21024276.62	20215970.57	21339591.35	23373058.36	30436719.48	22275712.38	38617215.77	35926284.28	32555166.27	35289713.43	34873340.49	30157689.59	15530428.14	22944473.53	32482115.96	21377477.3	14797764.85	14716515.02	29241669.82	16586656.95	30970817.43	26565209.62	37010685.79	26185240.82	20035979.61	26071034.15	24997905.88	14573911.85	15537405.52	23819109.14	17862151.01	27489051.9	26782246.63	40697592.28	32749619.15	27706180.23	20074829.82	34129708.36	36019935.36	18734586.45	21358136.32	36212339.42	39050291.58	33516394.49	20371614.44	33821663.47	39486635.43	49561544.83	25763863.94	30263772.71	24713507.47	46695897.16	28676931.61	30322786.97	36798199.69	47979525.31	27141185.21	25138174.71	28097100.41	28475487.54	23600845	34633436.64	28003914.34	35595141.75	19145245.99	40370889.82	36007498.23	24664546.05	15719749.17	15521464.02	17967476	36489429.3	25652935.67	25273090.28	41503676.19	26609037.38
Lusitanicoside	818629.9667	910670.2364	1177210.68	955282.3535	1224404.177	555978.7771	3276115.259	2340578.064	1604324.41	2229235.325	1060918.031	894105.369	990615.3298	823851.4827	786423.9552	1783193.758	1927012.337	1114239.663	1069263.38	987666.0504	7610666.205	10473429.64	3416699.036	10606982.72	3796051.466	2711429.82	2999100.284	1808178.347	2060779.234	2099454.886	1230299.65	839527.8215	963978.5322	1141376.089	1002380.219	457077.8029	1041489.316	1024545.513	918588.842	420313.3093	1091617.133	1539101.76	1012100.693	1452860.672	1665357.156	2346124.634	2344579.131	4779059.746	1119691.532	5277190.422	628578.4136	1957651.401	726811.092	666437.7901	667585.1709	865476.0279	1644646.23	1573188.988	772301.0408	629168.2071	1248985.346	1094170.295	876268.2546	1053688.235	1045205.998	501480.7352	871649.0625	423705.0176	653483.5903	525032.79	1009074.172	877183.0562	717535.6592	1277546.704	695736.3768	1254509.46	1275982.848	1061763.723	1318451.601	1200698.604
L-Valine	1811125965	1071462006	1420410035	1144521074	1289493153	1300980398	2651681566	1485754985	1982184300	1740431965	1567674850	2366465812	1663471711	1666986000	2353797860	2386006312	1799353823	2691471671	2085111376	2136034637	1490930233	714124057.7	1979720377	700557456.5	2047804322	2590462174	1896428470	2532964774	2332504367	2141216020	1374290827	1301602047	1447252990	1232012154	1647602710	1155294434	1081281738	1540323383	1223147084	1560863137	1594401115	2051357775	1686503866	2374437924	2634549638	1307093441	1423003190	1633179440	1229271504	1609111438	944447344.3	1624706622	1112047554	1035271760	1154507601	2265473479	1664236822	1768681805	2233601449	2232701252	695632076.8	1298412115	972707275.7	1196127499	717099579.9	1244505044	1113778292	1510182098	1257562555	1218859040	1121359371	500053447.9	909386163.6	1312731936	874807099.5	1335850945	2079648487	1365663515	1384372460	1368484037
LysoPC(0:0/18:1(9Z))	542805251.4	489058442.6	236373057.7	356454721.7	362999073.7	394349946.9	728127850.7	559312506.3	479016354.7	630506687.9	353999500.2	448964405.4	325924550	334011206.5	485770881.8	747766384.3	635075206.5	766649659.4	467110478.5	569591920.5	496335866.9	430450262.4	641309335.8	490309803.7	556797353	661028114.5	451191214.8	599549219.4	490224070.9	724711720	655217041	524489327.8	622896857.1	505718327.4	385953025.9	711021478.8	543775301.7	569688127.4	633297399.4	706726556.4	643663063.3	564637483.7	515945375.6	848047993.2	746346583	555871838.8	486262175.2	789189697.3	743733060.8	786917186.6	419641055	609850000	743613284.6	756727871.5	730977912.5	835110653.9	524587892.7	477154432	759858989.7	795346053.4	452141690.9	596227474.9	602889531.4	657510450	734854948.2	829958034.7	1088645845	629936895.2	540562606.7	798799561.5	523183016.8	433203335.4	602137678.7	398346626.3	378099977.3	459399738.8	1301520013	798743522.4	760791156.9	939214544.8
LysoPC(16:1(9Z)/0:0)	755181550.7	874946209.9	463788182.7	579563491.4	483715743.8	685350716.2	660701723.5	902761428.1	753735307.3	989245868.2	294857304.7	367361390	402970253.7	324309005.9	370628930.8	810634908.7	632496061.4	743612519.1	652428128	793236320.7	707884002.1	560355505.1	837673534.1	553716053.8	813541916.5	761702734.9	819631103.4	559638694.7	585331238.4	533140757.4	374337136.1	339582203.9	424696324.9	329545103.4	443810408	688630944.8	518524315.5	455533328.5	662951174.5	668432135	225823856.7	675347278.2	680175114.4	843800486.7	773994894	689318541	557935833.3	810798247	383379103.1	852818075.9	567229805.3	553948561.7	802073739.1	788790256.1	905925101.1	1023733928	575473686.9	905577312	1027168766	984591091.5	671490416.3	1046199048	928496874.6	535052271.5	771858434.7	1302406337	1489682017	1038931937	828850769.9	1155400488	446332940.6	608060704.9	488913931.1	480743537.6	541966938.6	994367817.5	957027182.2	1168379292	1132756577	1259546545
LysoPC(18:2(9Z,12Z)/0:0)	7825502196	7460803769	5269936751	7298298117	7208943103	6644426169	8337309577	9484145161	7962508967	10114774459	7587956296	7629686290	8319855887	7551581117	7784680962	9219640663	9730624931	9192777452	9307601839	9509894392	5682251328	6917599806	7584913768	7164578962	7819265432	10017297163	9878316765	8974720885	7574818649	8711564299	8671221401	5691510134	8023973997	6881872466	7464780121	7119992002	6512380511	6212943263	7664795173	6754378627	7346854303	6860116267	5325314985	6027381461	6891341314	6959816654	7280786530	6042164467	7280313249	6796060719	4299796499	9244321154	6837081686	6719373473	7148219243	7169439094	7332181341	8714645579	7690841665	8235977773	8380427870	8596310923	8063520454	7504950443	7305840244	6986226545	7040107331	5758487881	6356618111	6107858217	6954636410	8171535549	8699734749	8840836305	8233438558	6256553056	7632268875	8216392922	8316654864	6765734941
LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	112062612.9	150180712.8	71770051.14	149834094.8	159986961.5	80104898.15	182020514.5	240826180.5	141801886.5	264779230.1	111647865.6	159095296.7	133770878.7	115848884.8	130146154.4	247287842	179839086.6	232254610.8	175338202.1	219272091.4	209871124.1	277781391.3	411831912.6	298146736.8	366832492.5	186153712.2	200963989.6	203199762.4	219329358.3	184953086	298479877.1	221610913	255906706.6	266931952	211720855.4	264840131.9	100462152.9	124987863.1	161246028.9	286493476.1	212863022.2	284000855.1	202123459.8	262298723.5	253038550.1	158647748.9	161556291	280084148.2	92038956.8	282841308.4	105989856.5	249413677.4	150097560.4	153612204.1	165237520.5	114372290.9	104002123.2	81398860.94	107438422.9	114602842.2	142128355.7	178158423.8	154005067.5	135964897.3	146248934.5	109263162.5	260404163.2	141285244.1	124012354.4	145702291	185911791.7	230422572.1	206670021.3	199481319.2	243437361.6	179388687	206619208.1	284930941.1	267412449.5	314021130.4
LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	79954193.85	93368146.08	52522907.07	63692284.8	76035861.22	47535582.67	99169209.27	65343894.96	63124510.67	77863362.56	31121067.46	65058342.03	42100710.1	45850234.11	64332320.05	105206883.5	55486211.45	54118880.58	89577581.82	46943170.96	43739640.34	36235668.92	39223865.36	33851408.07	33083290.94	76361199.91	40053601.78	82350285.53	65240959.38	66013722.44	28631556.68	23823646.53	29098616.65	23633191.2	40229933.45	56249406.57	22934669.26	24953824.1	56553883.53	56060174.49	47217834.48	49753181.1	61475757.73	68926421.35	66466098.53	45350814.2	43507831.37	47769249.44	33002486.11	48485187.84	25368314.39	23054921.05	20123746.34	22008588.2	24640367.41	27919438.88	33467922.9	42600284.65	33648024.37	26767482.67	37785912.38	49574597.35	54802058.09	43091668.53	42421859.36	109054037.6	137332404.4	60846378.12	96261974.21	66567841.36	70740162.85	34089249.7	36906197.41	39223249.08	35927158.44	44269402.18	78508326.42	105102732.7	98659702.16	108131468.5
LysoPC(P-16:0/0:0)	19332702.73	20056922.64	33368536.66	25117970.43	30349328.97	16721615.18	32611787.51	17752237.14	29271809.83	20916174.28	18737746.51	14545803.83	24037174.62	18582350.03	14535713.97	19923527.35	15218094.15	19497102	21755961.89	20045118.44	20356417.38	22632885.85	19077217.03	19199208.04	14995161.39	23608522.43	12150123.12	27383777.7	23982158.37	20965990.83	19609903.57	7350201.862	20999426.65	17625855.51	20659592.73	11611013.48	19663308.21	11841670.14	20669593.21	12545842.97	19464907.69	21961931.79	16138762	18077540.21	17394505.34	15515977.59	13392077.25	8019661.335	19212622.54	7526701.415	15560529.95	29726532.12	25814397.46	26548197.11	31139223.09	20736512.62	25329155.93	26622422.5	24498739.36	24283194.11	27164102.79	21275268.01	21421108.41	20172128.18	25401142.89	11149370.72	11582092.99	8089805.028	13218498.17	12082104.66	21472172.16	21257979.38	19410364.89	20478118.8	17051180.28	14265388.37	16630500.39	15438291.41	13951882.29	14945843.52
LysoPC(P-18:0/0:0)	59979701.18	65160114.43	66176646.4	71644257.23	73637857.83	56069505.4	97390567.14	78681955.37	80390582.2	81578446.67	49333069.09	53600789.82	63670826.5	47610638.37	57494435.5	73833837.29	74325644.43	75548264.61	73319509.53	72418341.61	52314695.75	52521022.26	45252757.55	56003881.72	42820045.88	81089509.85	72805073.33	101970120.5	72224779.66	90460957.4	67618854.68	23931541.74	55960926.97	44261366.68	56605852.86	52983229.92	53441473.79	47622489.59	53171410.93	54187308.03	52463803.76	53622869.98	53627746.64	64635354.36	58542178.66	61344991.62	58753539.04	49184773.18	67015375.77	57347095	38482208.02	85376497.08	67116400.5	60352869.65	72184162.66	79650237.33	65093402.01	103689753.9	81351145.16	77425491.14	65443586.12	71246434.38	69025934.31	55152704.71	68617605.02	41098102.99	41176308.4	28443633.8	34425984.13	30303486.51	67819731.68	69042436.8	62024921.77	76122388.41	69003003.54	37895282.31	60474195.61	54703239.27	50650408.63	60820344.62
LysoPE(18:1(9Z)/0:0)	275389468.7	173673495.3	182042561.6	236638532.6	257769385.6	234768566.4	283062747.3	213515773.1	209598908.5	212336672.2	146276762.2	185211504.3	188540248.5	144313088.7	177132263.7	268470248.7	211161712.4	207544954.5	239740035.3	192805456.5	168841693.5	177895471.3	198778928.2	163483546	167328137	268640939.5	202533906.1	258769277.5	219567263.7	246391144.2	220117476.9	117422349.5	185169443.4	167716676.6	192243711.4	162253086.7	159222679.4	166191269.2	164122194.8	166471167.2	168559136.1	150372165.9	117762924.2	155923166.2	176500099.3	186613883.4	163407101.2	143307589.2	164031521.3	158394354.3	140354684.4	184949880.9	183908143.6	174382053.6	188177937	285926376	164323838.8	216422568.4	309922900	288542820.5	149816023.2	175100960.9	183735975.4	147992485.5	167391824.8	177318366.9	169722278.2	107460515.3	121913063.9	119086665.7	161446600.4	159555944.7	184161095.5	199561028.4	209360382.3	124393272.9	175273872.5	157829918.5	162403590.1	171645183.3
LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)	251410346	281608681.7	309853788.5	372730167.9	336511285.5	270586973	200433529.3	449859147.8	182327505.5	421575607.6	232714415.2	276478167.5	259133562.7	243987478.8	271611787.2	306988917.2	316887211.9	203216621.3	233361153	234547946.6	329778044.3	368581079	232572258.1	329435494.5	235987957.5	415227114.5	385561345.6	301697079.1	285156554.6	306044594.4	399753537.5	192944355.3	330734833	336128608.1	363775241.8	287236460.2	283182786.7	355420384.8	302493374.5	250186158.7	301792230.7	261472461.6	215714663	236010214.9	218633829.8	408677259.2	321555429.5	324958419.8	339980040	366336751.6	143020989.9	193054477.3	201355920.8	209471044.6	207039801.8	242504439.9	220392277.2	200109015.8	253231169.9	222719915.9	227155411.8	385705061.2	369029242.8	207147913.8	201188066.5	343446419.4	243922456.4	218474825.4	227192015.4	241853299.7	241299399.2	230236814.8	359560885.1	248368752.5	327911918.4	171294341.2	253760286.4	267087446.2	252935358	272188524.7
Menadiol	24661895.26	23798664.7	34371655.39	28575826.93	36250935.73	23422953.27	28424540.02	31358657.17	43446175.72	32776833.96	74803850.6	36693852.68	54001784.66	43006373.35	40526492.32	53250298.46	32690187.54	38308917.59	60868434.75	44495760.59	80819126.42	30594604.1	39845966.68	39593481.5	37615578.15	118475917.4	149034621.5	96204832.43	120138770.6	106260010.6	98769578.81	80354343.91	77640461.73	122011231.3	82931981.93	37711409.74	97076913.41	113372054.9	119596836	37356997.51	85605499.29	106797936.3	116679783.6	113169326.4	102549091.2	177547004.6	114876519.5	113435055.3	101400472.3	149429934.2	56004916.67	88014501.41	44665003.91	38492539.39	38524198.97	85985267.96	46349024.53	50225210.27	51494699.27	79259977.16	86707891.46	41098939.26	51691657.03	42486639.77	40754763.94	40592486.65	42802588.41	47662609.61	28694634.65	45160033.17	52723719.63	47844516	25151269.57	40849055.36	25461637.14	56092092.6	62467938.5	52842833.53	67644070.32	52233900.62
Menadione	2347762.148	1603600.025	2601430.595	2473877.606	1710723.202	1342435.686	2611930.552	3540457.257	3409083.012	2200915.232	9377741.78	5449747.418	6358438.667	5969653.94	6481169.319	6757701.555	5432185.893	6828632.14	6887419.999	5212681.69	3951400.152	2456634.393	4356052.598	3087388.267	4060802.981	7322311.42	6611930.51	6137729.903	5722455.609	6531888.414	6118606.842	4726421.381	5706966.648	8297270.482	4849594.948	4800152.91	7209078.292	7978307.158	6596810.837	4811133.075	6343926.52	10830482.89	7974058.451	7781310.761	7775106.419	9910454.699	7771830.997	10620515.12	5517810.263	8043718.182	2729836.787	3862944.506	2423942.585	1570545.231	1675005.051	4236463.135	1829743.448	1765033.402	2738739.535	4882626.196	6495224.416	4516082.631	5871778.24	4919333.085	6793810.647	4873309.077	6537990.69	4711426.05	4801502.763	5957727.43	7841383.484	4245955.537	3837054.905	5490892.412	3499886.189	8051185.343	5557052.702	5964436.683	8405798.656	6435156.715
Meprobamate	989121.2456	1471844.099	990466.076	1052532.212	679744.3173	430117.8716	1936548.112	275094.4437	1830664.173	551549.5211	677115.8304	1403163.608	677866.0519	495513.151	761658.243	1857500.372	1814562.538	1494054.048	985662.6855	1148868.436	268814.6819	156365.5678	468117.5272	520648.3864	567058.3189	830182.5802	168505.7878	547341.0373	504215.9366	491967.8872	1482175.836	569590.366	810840.3845	879041.4238	782956.3491	1168268.322	489903.7669	723193.6401	578376.4456	1056259.776	1335669.283	1225312.874	441253.6384	1323769.975	1740290.593	797682.5683	1002743.994	1217314.689	528959.6478	607966.9251	130024.2068	1873232.63	609460.2913	214884.2207	673425.3659	1328464.948	1828159.678	2380824.283	1509897.289	1393255.666	994104.3316	924068.9833	849870.1851	1721414.366	846749.8757	381770.3159	1046752.773	519918.4215	974412.0792	985131.484	1464600.907	876782.5753	1172369.581	1393782.789	1477637.267	991901.9145	1601538.63	1342976.181	1782826	1210006.309
Methacholine	55387689.91	59667784.27	52813349.76	64484386.64	63028104.77	33963172.76	42729546.27	34082023.38	29414164.68	29514623.11	102553040.9	169423862.2	86230317.13	116766507	161792274.1	76979669.98	48752537.99	51573355.43	53438560.15	73183642.89	62659940.91	43935228.17	52632028.28	39603258.11	55910814.75	38977335.82	48759555.25	36048918.74	33961423.97	38205460.43	35062230.54	30268129.1	29253552.56	28877237.2	33930702.37	39888043.56	23181731.71	35675067.21	32811463.82	44667119.67	65176491.04	47724954.76	33345470.01	53644114.97	62558471.12	83879302.11	56058080.64	68736522.24	39141642.15	68582928.65	36515262.93	39219378.42	46105887.58	46411237.86	42425591.48	41927871.09	26201144.63	33811025.48	41689238.37	39359585.13	51623626.69	49471807.4	63806632.07	20899276.01	61392233.72	37225887.79	17236808.28	25647144.63	17532653.55	27272934.61	33422352.41	43251672.12	24499962.8	34204871.95	27542337.95	19544085.78	33074103.52	25341924.79	34561795.8	24438340.32
Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate	1444087.51	2101510.098	4529889.976	2619837.727	2948237.175	255892.1001	457216.7814	441973.6021	880712.35	483983.289	605559.2199	343130.951	623021.4578	479291.6366	310601.9692	125670.6042	116979.3399	261242.2043	312257.4697	260170.9935	21438195.27	2882068.81	712241.035	3022356.179	803723.505	3974719.539	11137538.32	1013994.622	996477.3867	1101420.752	279835.4088	436057.8195	560223.1823	322698.9225	493918.1385	420811.9256	702347.2664	899646.0999	373350.496	467124.7359	1537272.098	1055546.158	1337565.713	524263.5956	433138.3917	629736.7674	808182.04	644572.4568	789055.456	781477.0518	2118879.254	734868.2673	1978210.977	2064050.115	2209812.466	1343086.645	766964.6813	860027.5	1667464.351	1484682.415	5095041.23	12752256.75	12293616.55	2790862.322	4398901.872	3606568.652	508129.1711	3968770.231	630847.6458	7134389.895	1321690.236	1342516.913	2033146.453	950953.9798	2103393.231	324082.9759	358770.7517	696421.4116	719270.7983	734153.7989
Methyl jasmonate	4075989.572	7427902.887	8432736.861	7414820.702	8909192.897	2041497.461	1748447.482	4398892.586	4232595.733	3033485.829	7811194.382	5576834.993	7541348.359	6375681.748	5380613.297	3579965.057	3228711.818	4436826.355	4678687.324	4468974.049	25392193.44	10166716.92	8405566.266	12371222.28	11358359.73	5529251.851	6404763.896	4268309.381	6121611.665	4673899.334	4759450.465	2906623.507	2724785.375	3826401.292	3134188.72	2877412.2	2360189.175	4524190.18	2844480.436	1664350.47	5129447.926	4469689.688	6214638.387	4214161.701	3404252.651	4039785.572	5129240.691	3874691.566	3908169.801	3945942.225	7352029.49	4403794.809	5854972.148	6008471.564	5476068.856	4649506.942	2991115.784	2824457.973	5322174.673	4713486.048	12427755.84	14873876.57	13705066.84	8625730.021	10727235.45	8054608.121	4843099.699	8527703.691	4693344.183	8111853.851	8512452.347	6852488.647	11128490.27	6400787.153	12666701.58	4930278.358	5912934.65	5408238.17	5661019.44	4937543.196
Mexiletine	2277034.544	3110132.216	4001420.763	4219111.586	4188777.429	6354663.132	4551022.352	30068056.05	11713143.19	27499020.95	1872758.241	2076938.558	2243464.37	1957257.468	1997087.102	6210830.073	4940007.343	8048948.081	9786220.325	8068815.597	5098559.63	10731361.36	6538311.003	12200400.48	6950086.718	8179294.987	12293970.62	2626528.929	3371267.316	3072356.95	1203402.14	1079825.883	1840253.779	1255696.306	1832733.484	5981205.607	4485499.836	6641205.799	5893593.951	6319346.692	1961513.26	1844886.757	1946846.201	1091673.041	1217670.9	6929758.211	3453674.972	3258013.213	5233167.917	3456236.065	3882231.876	2778547.445	3530229.485	4068312.36	3419442.432	14880400.76	8226493.324	7404600.09	11693915.51	12483227.94	5298188.091	9449794.008	6002463.318	3557148.709	5812572.98	10384095.21	10119632.21	16096184.03	8670703.76	18832143.22	4159457.887	4269874.941	5010386.585	3337718.209	6507675.727	11433839.05	12125483.98	9019460.457	12211196.5	9287840.875
Minaprine	234342.4492	631282.4684	319717.0791	634660.9657	744683.4708	394449.7679	1184345.064	468735.6568	895346.427	603542.3782	1066714.446	1950372.163	1154330.526	1147544.763	1956807.036	1645183.168	3168102.952	1208108.588	725854.6028	1233660.986	1031507.503	1620204.811	1353288.25	1628538.571	1641556.171	647831.5507	334167.1706	621119.6292	858104.8248	674460.5436	1662236.488	518830.592	989513.942	982893.5153	1261757.367	564253.3191	537175.4654	483532.4392	622877.6692	731795.1347	561468.1299	577878.2575	374972.0214	650922.712	559609.6899	320126.2268	779575.3772	595120.3937	572766.654	746148.9108	415213.8164	835875.1003	717107.7848	530896.8723	704477.389	1003023.226	637926.3869	323743.4825	1056331.103	1050140.196	1426597.114	867133.4969	972636.0236	1348692.578	1399687.131	392680.5383	241466.4749	248411.7521	384381.6147	152455.0989	473351.3626	987821.2644	1527667.676	1486782.612	1403901.308	491700.6599	738103.4501	706709.8769	539782.6863	650734.4723
Muscimol	1076924698	1300382771	1059787906	917340151.7	852210658.6	1176431824	1677694302	1202298761	1036658948	742357224.2	1467380520	1234870876	589462796.6	1011996374	1854728046	832923716	679017692.4	1162070607	1183786796	1167108377	683848895.4	555167246.1	922312251.7	447433484.7	837988453.2	1134027785	695639780.2	695729593.8	892250395.7	906867645.3	850234691.8	459815888	1024199249	1081175259	1310571014	929422862.7	1334115465	1360094421	843233534.6	915331755.4	843105710.6	895232114.7	840788299.1	801148902.3	628727998.5	1552879043	1155000842	581678845.3	1274504414	1215132585	561591554.1	899130454.1	713959135.9	753937827.4	642699838.2	917067185.1	665638016.7	785712083.3	932107880.9	1128630616	351507515	577630943.6	583459933.8	719668940.1	403315219	559923717.2	494781162.4	463093126.3	541557619.8	486120588.6	525672028.6	460296335.2	838027376.3	490758460.8	482162894.1	426045333	441588801.2	449065905.5	207314251.5	324228843.4
N1-Acetylspermidine	37572264.39	38918356.41	45683418.52	56918792.44	62744398.66	16727248.64	58674951.51	25357061.05	41596194.32	23886442.6	5572884.576	8159276.846	10352798.2	10473721.09	7140598.938	4185763.773	5890489.618	10467131.25	8478057.804	7559494.026	5336669.429	6885100.052	2830592.801	5760020.243	859060.7038	2891032.287	5666041.254	15674687.33	640935.0422	14744712.68	1310236.327	1132760.836	7325887.335	6991078.066	5743808.019	7037461.569	12648961.91	11533552.07	6712850.707	8954602.279	16256142.09	20363296.5	23368352.35	16744869.24	17776318.09	6784810.584	17169745	13183050.1	5593938.871	13222622.44	20128863.14	18632198.59	28014159.66	32853012.58	29147309.97	26610117.45	19982637.5	22160982.05	19394254.68	22186173.26	23890078.47	31767928.35	41582579.16	13489865.33	23072549.37	65829286.55	22455113.83	19516943.9	11553100.23	21645725.89	25297412.68	23745889.77	15019754.63	13358876.85	14141345.15	9039490.1	9350752.02	11075753.8	9092994.469	8509856.015
N2-Acetylornithine	22490462.59	19418293.9	18218717.58	8341749.983	15813535.83	28898782.09	45492430.06	30303746.97	37161987.26	28204679.85	23315912.53	23066740.23	33110568.33	37295207.91	25997687.33	51283959.16	39868350.96	38341651.95	22472634.27	33578309.16	31852012.05	26822778.96	20386131.71	20824032.1	20484968.58	19647813.69	15644042.05	26684869.85	24566730.78	26654998.76	20232528.47	13475937.46	20088800.33	20264138.19	23998945.97	17763328.17	9578603.537	15448229.64	23995651.81	20240778.93	16447124.76	26284526.51	10771593.5	22874462.71	32402668.89	15377002.65	15299957.97	23179933.19	13739777.96	21514936.65	10252436.01	32501692.31	25537859.55	24369070.65	23264310.86	14265469.87	33678245.66	30721806.48	19600820.34	16467100.61	25125777.79	18875532.44	18993830.17	22839054.06	25786483.79	21102627.1	37550429.11	27912467.42	37235479.62	31099107.71	15193079.53	16258108.54	21140474.43	19399815.82	19579199.06	27983426.97	32368081.73	28107119.89	35084617.58	31852783.86
N-a-Acetyl-L-arginine	42876126.59	25073242.57	19626902.39	17950123.71	26464759.84	41272588.54	78215896.68	34704578.55	55890139.03	33403737.47	43543524.13	45042040.21	21062151.44	21451249.7	47598399.03	21260292.03	36277510.81	41971545.62	31896407.4	39075645.7	46294168.45	839225.0787	28907281.45	1057794.622	30540227.03	41213879.89	41305385.46	30984639.01	21715057.55	30513166.35	19155303.57	21266934.72	27986733.07	25578906.56	28732431.02	26311804.23	35538297.42	55175285.84	30404304.76	22791536.81	23606398.64	30558936.75	17590021.56	20056241.97	25952583.24	31082423.61	14347007.94	19765492.07	25825798.9	23618339.37	14546398.89	15112907.85	14245470.01	13432925.94	9844119.326	97177468.17	65355516.97	31734641.36	82490104.23	86215745.95	8568404.639	19352975.49	13262846.95	24682820.99	7545706.772	1359588.502	18259625.47	972687.4627	3151873.264	1812269.125	11794272.87	6205776.805	15035321.88	18664648.37	12006463.95	13415395.3	20619802.61	11022191.85	1812647.719	1992873.558
Nabilone	10968200.71	1885606.328	16463103.72	8636688.505	7485268.77	992448.3256	24023475.91	16477525.08	440238.0904	17484306.42	1362924.513	7016869.975	2515247.589	2030144.415	7951956.815	21733283.62	367475.8631	9908541.525	11671971.7	7643473.603	32059104.31	11392016.6	805018.8521	12750328.55	750133.9458	5702608.24	68964265.95	2252182.617	1670623.209	2043334.228	624146.4858	451397.183	1120712.916	1005618.538	1086918.974	7923038.476	10010255.8	3240770.961	1966085.038	9329718.609	10346858.43	29192123.44	798426.8173	32862801.4	42970002.95	53771099.51	10311617.02	65759623.63	10738794.03	72451968.02	4602142.301	734037.7447	1798035.458	2215020.937	2778014.518	12605156.6	13836366.54	11114451.42	12715493.49	13662786.03	2653109.455	15269800.99	12067729.4	894145.4413	2879846.51	18807582.21	3937615.347	11094533.2	929534.1409	11349772.72	744218.2328	9719910.832	702787.8363	13384241.84	474308.6918	647460.195	539508.9501	578380.5381	863279.8361	536149.7853
N-Acetylglutamine	13489195.51	16011114.46	6887753.294	12272513.39	11310494.4	15789906.31	40151613.74	27213272.08	19535616.66	30042254.53	3712998.255	2374511.357	3881235.298	3246337.824	2108432.879	7573564.394	10546891.31	14716374.74	6260694.868	15380750.72	9235421.707	2824558.104	5532469.932	2682282.217	5089260.975	20698897.71	14607216.67	10966738.74	7690286.944	11498363.18	3411859.355	2920136.608	3806872.592	3285228.175	3792582.392	8251552.414	8736599.634	7117960.668	7246363.444	7585140.365	8789031.562	14633171.84	11136496.45	14629695.7	14863405.48	9619446.833	8822451.051	11637410.51	13822621.14	10595963.92	5270309.75	13556734.59	6972929.043	7622145.634	6915795.178	26004362.49	13838932.51	17414504.92	26366717.17	22418633.82	4262553.675	9544554.269	8407170.614	6201247.476	3975969.567	10393474.93	10722598.8	10526807.51	5413754.546	10942256.33	5447176.967	5900440.425	4890701.569	6495101.021	4301403.238	7549681.358	13873579.85	11052756.36	10323789.97	10438109.18
N-Acetyl-L-alanine	15572578.86	14608518.47	11446823.33	14876278.37	11805008.73	17993453.88	27310330.49	19458512.69	18690466.81	19387200.61	8150453.545	5950900.622	9525433.962	10458375.42	6026620.322	10433078.76	11377299.28	11444035	7541501.448	16131275.62	10823121.37	4353169.635	7070533.148	4859222.764	10070903.64	7091347.421	5688876.993	5732378.96	7703641.429	7601790.214	11431745.72	9845145.108	5970575.264	4829141.37	6153100.251	7175184.622	8638962.773	10046306.15	8591731.115	7930660.765	16999569.59	12877639.65	7739171.641	15442560.17	15104225.11	5585109.183	10084417.91	12607100.77	7755986.522	13286633.13	12038202.68	19353201.04	12673355.54	21480363.61	13606636.88	11646099.42	15465378.79	19505815.98	15951612.63	20678088.34	8207630.237	13327271.45	12644556.4	9258205.206	9960226.022	8683418.3	9337203.622	9387800.562	7582160.756	9788138.027	9340293.263	11893617.33	12614731.23	10183808.01	13928995.82	6550266.529	8349835.141	8967533.893	8508663.631	11386262.06
N-Acetyl-L-phenylalanine	65924397.9	52585992.54	38098591.02	49422460.36	47278012.96	29848422.96	99940676.27	49600118.14	86601140.47	50497524.76	44444974.99	23995607.37	53409991.51	38990738.82	23645166.23	37733344.15	50952771.53	51194325.18	38723206.51	50876376.26	150366055.1	108900247.3	116915492.4	108107581.6	120270536.7	99081317.19	61308120.25	112039389	110562980.6	116764737.1	43799650.06	23451832.7	28001690.01	28873630.07	30244173.7	22289611.51	18195662.87	23482220.83	18673125.74	20281633.96	74793439.15	87403033.45	96713981.59	117168676.8	116294340.3	37440703.79	44093066.86	80538504.8	31702546.47	83181723.64	32253088.14	154855736	107122313.2	105977361.6	111260880.6	82021250.11	59296781.57	72594924.22	84103592.27	84448089.72	85988496.25	160745244.3	156611096.6	55602506.74	84176224.34	90475091.15	33858440.29	86853270.83	18773204.61	96684975.39	49649068.6	48811276.99	43969097.68	67198118.54	48138136.82	23667532.07	48821781.52	51816609.8	51541886.01	52957808.8
N-Acetyl-L-tyrosine	17328071.83	7298419.187	5511634.416	5467398.627	5492935.28	8432364.781	19943992.32	10420337.41	15769712.38	11342855.35	12530269.55	4892757.014	10087047.4	8934542.024	4154157.668	3857253.582	7536123.483	5932866.299	5154488.188	7359011.811	49981188.08	10847694.21	16997025.02	15348663.99	14937197.83	41901168.24	49585621.89	27036638.98	25228314.63	39174442.69	8120121.306	3149389.651	7248057.707	6661339.71	7739771.071	5159133.402	7152852.292	4877678.239	4652719.447	5290425.932	12020239.68	23569979.97	15215287.58	27723437.84	40786356.09	5560516.486	6209586.489	15470438.08	4233862.889	12316854.49	7229321.29	29448582.01	18488661.62	17925852.59	19236632.32	9222402.521	6877225.575	14481141.67	10219336.93	9481934.433	9416013.205	24883474.71	27958106.35	8868590.922	9649507.119	9596900.6	5438447.948	11044609.59	3484401.933	8635923.862	8567483.26	9693219.31	5492928.586	11174926.16	5695474.283	3241786.828	3822878.035	4722657.612	4339593.395	4437518.175
N-Acetylserine	97260251.2	84789279.88	88840466.05	72102252.54	68982572.2	123163011.2	152755496.3	121368824.3	102513546.3	113460784.7	129250257.3	206840349.8	156485772.7	147532452	231890826.8	123630788.6	175823875.4	174290529.9	137238116	138071576.7	113809629.3	94592094.57	109955526.3	162230917.2	143444304.7	138808614.8	110134596.7	120067427.1	106687519	119457253.1	99397897.4	69616999.34	104902853.9	92908347.74	86296975.19	71062886.28	73954713.36	117339672	70140934.82	71486468.01	157302210	111010385	120021599.1	167521946	118338502.6	171044457.5	111339199.2	179453729.4	261516389	162452207.7	73228497.04	82569021.04	64166343.95	71816681.64	62668585.36	101449457.2	58757908.55	103385560	105758936.3	99983484.69	46767343.9	63530058.04	69943380.16	73654022.91	67895938.77	53914877.5	55006991.93	67789762.78	91012296.53	61083201.33	69692926.77	73533408.31	62002560.5	88000656.57	79518752.94	61353632.2	60515647.34	66675172.09	68337581.53	60825594.07
N-Acetyltaurine	6895130.803	7458579.682	5391021.09	9890048.973	10230603.97	6214982.585	11230254.67	9581259.364	5259706.076	9295558.605	4904737.89	3447094.83	4828385.623	3302095.846	3843863.575	6502281.58	4747155.931	4757561.058	4695570.71	3815452.092	8192898.169	5004549.926	5499158.506	5774390.171	7007564.769	8074709.91	6234886.902	4550270.568	6193643.761	5679973.732	5427460.375	3617310.414	4998464.623	4402644.357	5701341.641	4888702.791	6862507.848	4978413.891	4150764.963	5344561.438	11957803.4	15633423.32	11673346.2	19064261.3	19842125.74	3529164.535	5364344.577	10140804.47	6283075.881	12034447.21	7633252.924	9674303.157	10758135.85	10881219.34	8795420.288	10891927.59	7657666.571	9547901.898	10166096.64	15274738.99	8061571.591	8041188.56	7292222.895	6457460.1	6893421.618	17867728.04	8096289.518	7012282.705	4891029.445	8602257.097	6955550.952	7066487.374	9998638.797	9856099.711	12069697.77	5220873.827	5530720.858	10253548.58	9349583.47	8444490.009
N-gamma-Glutamylglutamine	33673799.65	25136006.34	28931769.56	15733923.68	20485109.41	70730626.67	62315921.42	31947313.08	37136057.19	38666326.05	29947431.38	17530530.28	21789573.55	20749829.99	17538711.42	50031826.05	46442728.97	49128973.28	29357261.74	42230707.98	17854778.68	8542442.101	17323854.69	8709143.38	19011085.39	24359755.79	15198933.92	10835940.42	13507488.8	11869619.6	18307351.43	10970763.16	15825593.11	14511859.14	15208158.5	19895863.08	10066305.8	16768255.39	13945674.41	13528913.54	33744011.72	32385026.36	24752716.26	36119480.58	42387760.03	45779303.93	31952437.22	28761686.21	33304445.71	37758762.38	26488469.34	29129771.01	16415214.06	15622310.18	13719210.88	42244047.61	31009695.63	46633850.33	34824199.13	51571475.63	8708291.207	24559820.59	26592997.41	19205659.7	11316460.83	12536759.23	21352774.99	24455974.92	24223035.61	27613343.79	14438087.42	18572252.83	15685260.69	22623730.02	18758330.45	16838286.91	36333700.26	28028253.39	26909790.63	27269865.82
Nicotinic acid	1933895.224	3158624.551	1718040.657	2217338.165	2913707.043	2416772.883	2769851.472	1391279.115	3460342.638	1653039.121	1397389.829	1387108.008	2266766.47	2043358.261	2291404.73	868496.8419	1003161.2	1379685.247	1477102.406	766868.186	1674394.901	1711942.806	1105711.003	1177803.629	1208718.196	1657987.543	919140.8747	1055371.975	857557.0795	1822622.987	3839365.277	1739066.161	3209277.702	2583003.664	2138707.98	1408253.671	1703833.784	981904.4139	1816838.516	1610809.237	1830201.19	1798861.578	1509367.567	2003166.303	2600345.036	1661567.442	1040903.506	2151956.858	2042807.426	1740314.064	1654787.752	1673035.006	2158052.075	3467087.351	2569212.659	1434230.401	3200869.093	1441796.065	1231020.396	1249164.494	2795296.58	4356241.784	2230562.173	3168239.545	2517926.2	1639418.666	2787651.414	1602500.757	1288534.033	1982995.244	2180150.661	1741500.492	2135491.034	2020538.574	1677734.033	918404.9773	2205115.916	1497055.06	1297694.436	821860.2293
N-Isovalerylglycine	50344392.07	39993950.8	55821630.08	42831577.22	44415611.79	54954070.9	219505045.2	191700244.9	74278560.33	192799553.7	14996444.88	16717155.92	24234383.48	18344825.76	15198579.93	63142634.12	72072524.94	134258913.5	60147566.23	110466180.4	37319586.39	29962546.59	69611030.52	32442294.28	71318502.4	52202056.93	37903579.08	85875292.38	75569208.53	92017847.47	25780589.13	21332914.99	24922159.69	19825032.72	24946892.95	30216544.28	35196528.21	46981943.86	37105395.24	31077906.95	80060999.54	94024020.42	53966770.5	129574752.9	130919288.3	44876380.73	86128070.79	128735057.3	60883197.91	133107121	24176303.11	105966805.5	105554564.5	107647041.3	109312575.3	59170374.36	97076728.31	156328015.1	61744636.16	55778273.94	21795763.99	59616499.73	56469611.38	39062095.11	20858240.75	67795122.34	44998139.36	101869442.9	26209765.65	111181508.2	30469982.23	18661859.17	48787719.38	51696917.75	49488266.28	39040865.37	57183917.34	66748836.17	66030008.86	67946012.63
N-Stearoyl tyrosine	16264822.57	21726819.38	15238258.92	17031597.81	18005329.48	15700108.03	323090.4157	26507792.12	22431592.93	28198443.31	7488454.757	12950179.51	9509447.927	8763356.51	10039941.09	8560713.768	2904669.047	4744659.304	4451243.184	270255.8178	26772323.19	27562842.68	15035288.96	30176376.95	14106549.91	19860994.39	20281311.72	10021169.44	9486524.49	10999136.24	1384111.179	2773181.149	5438215.28	2637454.539	4909308.41	3286698.213	11903005.81	7858445.359	9608859.242	2763173.227	10725665.52	8888379.322	5974695.081	5662394.483	5903062.396	17374966.01	14567419.09	11802853.71	6527175.754	12788443.51	10517332.2	7343185.057	6225952.558	5737952.798	5961187.441	18449147.58	13439583.95	17531933.84	22932778.19	16833136.32	19148496.94	42211841.27	38224535.81	15387842.51	18438102.93	14612782.32	3738365.752	3706895.515	16796817.15	4282461.212	18263811.68	23258208.88	32161067.46	13210825.41	32556935.36	6133414.888	11450701.25	562199.7965	2477583.391	3985272.401
Octadecanamide	13783623.43	14202619.01	16477290.3	13563138.1	15060132.58	3076517.269	5036396.106	1607652.101	2704755.392	15676427.29	25471913.4	30602329.6	20507456.53	13800413.91	30230961.87	16307841.64	15687564.21	12842477.63	30634621.22	15870493.85	197359655.4	10181100.6	23862341.83	10008139.29	27998825.4	189057533.9	243983359.7	261468314.6	184605866.5	189136899.8	257244036.4	90406712.83	284831836.7	182403592.9	202798322.9	16372703.56	225267779.3	293551233.9	263653985.2	11842154.06	267585951.1	223183218.5	254570635.1	412522289.2	258085889.9	288131643.8	249490452.6	111351145.5	191984430.2	105269697.8	34281190.18	5747254.705	1916935.561	2683012.505	3534070.928	8394232.445	5394900.581	5910722.123	9049647.726	45420692.83	23203353.3	19532573.49	17264472.79	18766479.71	16721401.53	26741309.27	14331212.15	21724154.47	13646711.02	13809452.1	19032568.67	15531026.91	18357243.11	13243919.57	17668537.95	21525756.72	13533441.36	19294852.01	27245901.07	23241560.98
Octanoylglucuronide	29824753.23	23811230.37	15033779.14	32502365.36	33057845	16778820.45	41327567.69	45162207.85	22529712.7	43396997.86	45375396.04	29039313.78	65858794.62	27563164.66	29628219.65	58238404.01	68933548.6	43791204.33	41882226.71	41265770.25	24204681.34	26757348.3	19920510.69	25950548.87	20585559.85	46089341.41	44339873.94	25982557.65	41641948.34	26233203.99	22588874.4	36779543.67	46977918.26	48738143.43	50665352.16	40371170.44	43242926.46	53873541.86	30389802	49694500.92	28539179.45	38680143.19	52492007.85	51557400.72	55285562.07	27784079.2	60364601.23	39072450.41	38324984.36	39392332.11	27830985.88	41842442.15	30674241.66	14611340.25	31775805.47	46491576.66	40459673.34	40046395.61	27118097.95	45214746.62	87023628.52	40391259.71	29731319.42	38891824.68	80009457.3	19491971.91	39428375.9	17233428.94	37989050.76	17407536.49	59306664.21	34658446.65	28959169.72	65638973.71	28588353.68	64290905.36	44177862.59	44647706.59	67065569.21	44902391.75
Olanzapine	3850779.499	3309370.32	3642076.308	4173579.53	5610088.326	27340126.87	26251134.76	60548241.81	10070390.59	63584014.35	3834168.753	3143442.285	3005211.701	2925863.741	2867180.934	5627382.071	2570899.572	3169917.044	3020393.629	2931205.639	5193839.212	5301860.401	1361236.685	5188988.557	1359718.699	3703016.548	83538482.16	112082783.5	3708727.207	118026290.3	27276085.53	5963429.096	51562377.82	13036125.23	49315008.81	65623579.28	10265151.96	89460564.74	144213985	65253863.4	30668857.06	50611991.35	81609097.83	21215809.49	22967959.22	16845273.44	25707450.16	13439699.68	50034120.29	11655444.67	10430796.39	8215276.628	2400420.309	2562055.803	1905066.473	7407355.906	8648612.022	54748344.07	25676461.96	7456433.527	13251857.4	219874799.2	6217946.996	16318616.53	13064321.69	13940350.02	4318238.275	12885061.57	3238904.94	12950146.88	10605814730	9969047047	9127864400	10346584565	9183082659	7553552243	8312415728	7964861950	7704654782	8031267457
Oleamide	262632331.1	256366990.7	204171465.5	324638219.3	291713808.3	147842615.2	192694171.4	277569351.1	170800240	213365397	261018405.5	294879370.4	199168709.4	157078428.8	287860510.1	165344721.3	191798144.9	151250153.1	144043120	136441832.5	277202647.8	278343349.6	343526158.5	257871869.7	531449276.4	224691285.1	276736189.4	214732411.3	297676982	231300646.7	27489400.89	181379208.2	237992291.1	206589778.9	342165036	28699887.51	183531938.3	349780363.2	198505940.2	187791021.6	28553709.81	124912560.7	164778812.4	123744616.5	122420679	186490535.1	195256098.1	196975893.6	205366824.2	208538841.7	235561145.7	215974586.7	75183092.03	183967275.3	334517886.2	296423306.2	216296574.8	166412531.5	414533257.6	287756336.4	197813036.4	169195106.3	247761212.9	154657972.3	190438981.2	226937034.5	208875963.9	189570617.8	171837424.2	204959769.6	213465853	222924291.3	306403866	245029230.3	280403408.4	228540005.4	227566575	209325741.4	199280342.8	196866423.3
Oleandolide	681879.0801	788475.9486	1094849.349	692446.9408	733580.6901	138056877.6	211415578.5	377833262.7	125200515.9	352580034.6	200944.1305	45595.83627	319055.8773	178720.6766	56421.60791	168811876.2	84589155.42	169552426.4	169150175.7	157526482.5	488202.3918	411657.1754	767073.3821	334360.279	424416.8643	250557017.6	150208424.6	86688969.63	66392398.43	94694848.34	357709.4482	291099.0079	82617009.07	354512.7881	89953691.99	138483241.4	205372746.1	182934129.8	328547262.4	135724030.4	721106.4603	723397.2559	661635.3058	1105762.225	1091267.499	109980665	184159193.3	62092066.62	89517070.01	61977184.16	626419.8893	961125.4907	167789.5183	158758.9744	292355.0356	153865366.6	118864398.7	99228040.5	148120260.6	147845309.2	1207286.189	1290461.343	918412.0733	377050.0623	1133791.071	114510122.1	201361518.1	107585616	79725998.58	113646747.4	356015.3277	1993961.49	668881.6386	614338.2268	648350.8927	127418250.3	97321884.71	66054179.01	78928211.46	81090259.85
Oleic acid	893388.2387	1119048.787	2288114.711	1223702.97	1640082.596	1235339.212	1021851.535	2994148.482	2424372.586	2758193.871	757715.8962	613583.142	1001602.618	568953.5912	624888.7954	458558.6696	161489.298	394559.3386	452806.5968	422612.7453	6256230.629	1666768.1	1325399.749	2980522.766	1598923.764	7255555.63	6830766.527	3208892.799	2491871.604	3172092.476	67138.20501	424748.1372	169313.0443	274967.66	250304.7473	567560.309	1820684.967	1318053.97	541257.4854	194593.5184	1155809.412	1090097.483	952998.781	594133.5805	614941.943	1240127.132	1083118.96	919765.5454	1211584.749	390158.0371	2273765.338	678770.982	3022882.614	2412090.12	2632266.951	5320635.99	1488874.19	1285767.789	5168017.129	5022178.616	2516896.276	2588999.467	4967623.893	1492046.118	3004763.938	5771621.858	1325083.962	1568869.36	1733471.49	1522091.662	1525917.461	2658153.353	3153096.138	824783.4579	3773962.758	913315.0581	825221.6478	863047.4949	831097.0698	743551.7432
Oleoylethanolamide	3950274.616	2751486.523	2267432.536	5037339.64	5529406.646	3531741.579	6177790.873	7941691.487	3442351.036	10047918.61	9255669.622	5676190.074	9740569.121	5446419.889	5509435.559	8117953.185	10262739.59	7113457.614	9446982.356	6281888.847	170425606.4	5186324.485	3153501.703	3155860.094	2076947.162	67043656.7	164346545.6	167584372.6	183550495.5	50747285.33	229045669	132965192.2	181822286.5	204219337	204866575.7	4024470.308	230053531.9	160279574.7	181765261.2	4718098.216	172750156	232656043.7	233454570.3	234871347.5	249669783.5	228921301.6	224922557.2	152340830.5	190998327	156721140.5	1361139.116	1468629.948	998976.5055	1092355.398	1065908.103	1403967.663	1055756.121	1141218.334	1255915.909	2027192.803	16469264.46	9230508.116	4957229.227	5622729.267	18521736.37	4727286.392	6887057.867	3939160.826	8058125.073	3359992.179	7906218.864	7802222.871	3745253.743	7585450.319	3943377.081	10567754.84	8510480.687	9862961.492	12277186.87	8607744.189
Ophthalmic acid	2911621.259	2594196.031	1445699.098	3735291.542	3797267.391	9041755.806	9294421.719	34585420.75	4481635.837	36809179.76	3867404.611	2166369.653	3678359.19	3530797.1	2136160.829	9906637.862	9042543.117	11557553.76	6820494.519	13975380.22	2338871.208	1627251.95	2327045.923	1423431.576	2035820.367	980970.4323	831327.6496	1304140.885	1506265.316	1476143.332	2016606.432	675511.2519	1291523.653	1041438.224	1418274.416	2059813.243	3352779.284	11081921.14	2019457.206	2068789.494	3482001.815	3189237.903	1837832.076	2692246.453	2531992.717	7930883.739	3918110.443	3116209.932	20216412.71	3109667.808	2656896.017	4853380.753	1371091.504	1649302.406	1402471.975	45041353.2	29080685.23	28415687.78	42842102.67	43070894.53	1176132.9	7766396.388	8195033.66	2760524.606	1257023.12	7353488.477	2946354.767	21510151.53	1179376.957	26468825.06	4779920.328	4117099.635	2493038.034	2750675.232	2453545.574	3220936.252	17822711.43	7383402.259	7199909.329	6651352.608
Oxidized glutathione	265598290.6	250880925.4	228136839.7	426019877.2	420008811.4	417646566.9	962862196.3	689564191.4	661078593.4	712389116.1	170380746.7	157418310.4	137042696.9	157849896.4	149277271.7	524155088.9	371241761.2	579885794.1	307185429.9	651144291.5	137191314.2	97255269.43	160883284.4	89569264.94	160323806.4	223224143.2	149398845.6	150168062.3	160679079.9	150412120.5	49563300.08	81928885.41	81843547.35	58298788.22	85709018.85	174611716.4	109430821.3	249397112.7	153866395.1	190679674	366173682.1	443109278.9	307235836.9	301525322.8	274761629.7	315616225.6	248429599.9	256749130.4	504455436.3	244750625.2	152967934.3	266589571.1	187960454.1	212076071.7	210509485.8	1484275189	1308019303	869005728.1	1564948100	1565352405	64846726.8	316691514.2	318367969.1	156138593.5	51466663.28	279253219.1	266744580.1	735480595.2	57085375.72	704434743.7	231546794.2	96269941.96	105306498.2	211356166.6	102976931.4	280591101.3	906238825.9	495963356.6	458844265	458248075.2
Oxoadipic acid	3985538.478	3275956.038	5057869.505	6645684.643	3859261.471	6818915.159	4557667.07	5318355.15	5241370.091	7320595.509	6834956.709	9966061.066	6897458.936	14405316.43	13420669.48	6056899.088	10000811.66	7012977.967	5936611.937	5804139.952	9728778.326	3756524.468	3212168.84	3657915.882	4087904.905	17391929.7	13570223.57	11853758.78	12771467.94	10948073.04	13946845.12	16845417.38	21168965.62	27237638.91	21819299.28	3261505.252	14157010.98	15652900.4	14195346.61	3614347.389	11175542.42	13971002.02	15228127.1	20818408.83	15459133.4	12958398.83	16078091.98	12322703.71	9461729.232	13731478.94	41652416.62	15135999.67	8441854.642	2263257.089	7214846.717	8387835.912	37209741.38	8815332.012	1706849.326	10806942.12	7506832.731	8799126.013	7919692.306	9361518.852	7650786.552	5476523.205	5867299.488	5090959.145	7429172.546	4809694.934	11458795.18	5878791.293	24121049.33	6640554.847	30419182.13	11129518.17	7341878.549	6658940.787	11174685.28	6551650.531
Oxoglutaric acid	30052545.63	19133863.84	20416035.01	25198999.66	28288615.75	14033783.94	25487603.38	35327059.62	18742441.71	35346618.46	11112438.79	5398358.208	7071520.355	9688595.883	5632309.641	11461017.51	8520157.018	14852208.59	5031193.598	15553965.54	47759875.28	15094965.27	15086902.59	18080823.29	18991281.92	6551168.023	30446414.12	8337491.327	7726082.065	7961817.863	14439612.64	7541324.555	11458769.56	8752340.762	12265484.11	15427289.26	17258191.83	18740110.23	18409124.73	14596424.31	30092058.17	40659322.86	26739711.97	45302807.84	46715838.95	11879296.59	17591972.29	33042409.15	18237550.93	25337652.83	19823236.52	24495623.78	27847774.57	28633997.02	28097795.18	30402158.83	22158945.36	26549405.52	28947389.4	31986678.03	16621119.62	32658846.17	29205543.65	21098659.7	11524603.89	13937141.34	14455517.02	19872048.37	12032319.94	20494268.06	14943347.01	20260043.54	22249805.13	20417940.62	20462043.25	6975316.857	7443143.694	7540377.148	12719710.19	8516479.688
Oxybuprocaine	988184.3549	1690016.817	722004.6519	1233593.322	1386030.116	809129.5325	5183864.654	2010629.28	2230148.506	1993983.957	1600784.13	1488359.957	1789893.82	1282174.269	1249362.375	1584733.834	1619853.877	1143842.899	814259.9128	1232654.318	1879134.539	4574597.662	5516665.952	4572507.676	5400402.136	1407572.528	658848.2721	1761431.124	2095613.93	1601730.628	2871847.122	1477771.169	1330818.579	1351446.805	1613610.874	1348307.217	625959.3386	1006547.076	1024212.221	1637126.837	2412511.03	1789336.246	1022310.718	2602337.452	1970675.488	867826.9719	3181058.043	6248341.046	1729477.097	8878322.239	690565.9947	2862116.866	939348.3145	926885.6634	1020017.252	2983148.287	1747404.449	989575.1795	2667538.465	3364555.554	1732272.008	868543.3551	745759.6045	1710423.4	1729512.237	408412.6498	1222548.907	438288.7128	711842.5556	682964.658	1218120.988	826757.4748	2073134.779	4989514.831	2518697.885	1268209.448	3094662.642	1839929.914	1721984.754	2164211.676
Palmitic acid	4323898901	4195661687	4189707741	4761684824	4226092063	2875931660	3023134457	4821713170	3292487514	5316810938	4578943095	3802622792	4709220061	3426022696	4020502710	5268679912	2955957339	3312702310	4770303531	3406418014	769785518.2	1658508770	1817144313	2576301905	1686439613	407695835.2	45947653.67	272346375.5	554936914.6	283083028.2	67955419.63	43648306.17	469710903.9	63773827.6	511647802.3	79046677.96	156720482.8	305954052.3	461882674.1	74753832.23	661495137.2	107661636.8	54322264.82	54514732.54	54158448.89	206615776.2	923430879.8	450473140.5	486639742.9	437122848	3388553714	4850125288	5965150397	5892349883	4697432986	4245681580	5550295366	3499339488	5233648914	4633760507	3342500264	3082472747	3903690945	2978951501	3518090723	3771793729	3795065238	4060126394	2964451470	4290528545	3827640709	4885783867	3156230793	3676214903	3596666736	2343688001	3787964041	3448192606	2984296589	4052720141
Palmitic amide	37834802.27	28603421.9	75231536.93	29209679.5	45138754.58	40290405.27	65373120.05	44571413	34868329.36	36206734.93	36909800.08	116081305.7	50582347.79	65355027.07	115620603.7	33382021.63	23710828.33	26790767.97	66866078.37	23764521.74	586574574.4	21593577.37	66263984.12	30441407.05	57641981.85	648630514.1	525614000.7	638131630.5	440741390.4	625422645.5	205419484.9	501088254.6	535920546.7	753835677.5	450525948.1	37263427	672303087	479633815.2	444935834.9	39021748.65	712796937.6	669934983.3	609897706.3	883498507.6	597063344.1	535656928.1	1213445207	756139793.9	531298483	343805223.9	89145191.38	68153228.76	39772445.24	32961629.48	29673823.91	71955806.92	72382251.5	73168915.28	115520300.9	95014044.8	33899498.63	27451149.51	34678277.32	44472549.15	46481488.39	55182158.78	28584827.76	42130463.74	27770673.28	61427692.48	43741458.76	58505334.52	39003073.64	34724391.75	38964775.84	100359858.5	40893741.28	60361107.41	49574455.07	39521232.76
Palmitoleic acid	43784555	32237121.11	39443690.21	29081497.33	35237217.17	28346642.7	29123590.53	39758013.14	44687234.2	41137068.55	35255125.05	32467256.04	37658774.65	34375546.39	29889455.43	35645336.26	30748821.31	31481489.85	45935247.45	34550496.76	84215710.25	85158899.27	46726624.77	84560761.91	81000685.2	46563623.87	78453495.97	43997304.55	43527127.19	34146537.84	35634818.41	34722148.82	46757469.94	41859979.47	49130968.72	54019084.17	55000724.88	65417238.66	64769379.54	54626103.03	43055024.12	53308406.04	43277877.42	31385797.84	35065116.05	66077917.7	62670801.38	53659040.87	45320777.52	72499693.76	48494823.33	49072598.44	38213447.08	31962049.53	35699104.14	69284025.61	41686990.07	45163674.15	62919850.17	62010173.87	53409829.7	68430552.78	90877292.85	56209858.57	66255186.58	118239419.2	51065476.83	63943072.22	64006820.86	72631924.86	63484160.07	97208425.11	61510014.82	53214276.56	66927264.65	113034933.2	66122378.18	101799750.6	96051738.57	113986610
Palmitoylethanolamide	163503886.2	201658726.7	203194154.9	200285264	197341586.6	88886086.79	148542962	182673093.9	159896510.7	201202937.9	134932147.7	143683067	188248524.4	118700508.2	139964765.9	166235045	120642925.6	113001718.7	165729462.9	113911305.3	23075309.77	72783142.13	66130957.73	81633622.12	68113677.11	13955317.98	2062245.247	8301336.997	17424030.11	8393583.577	1113193.217	1348843.354	12988715.13	2428150.068	15537846.52	308151.7075	3435837.336	8245011.19	12902060.56	288396.47	20947301.06	4309616.22	2271821.147	2851453.217	2679989.524	4423014.887	25747238.29	12391063.88	11709061.47	10555571.81	115014618.7	171342251.5	245440858.9	590000514.9	261806702.7	156609299.1	232817716.3	154550153.8	224160125.4	174138913.8	155998199.7	109382868	146717652.2	124728489.3	155929576.3	147815352.2	133885390.7	140820789.4	109118291.2	155566874.5	147102613.4	169552334.2	155585772.2	150279394.2	152078811.3	93219827.86	134073810	136710412.5	109303002.1	139321540.2
Paraldehyde	3345192.782	6389452.231	6518947.432	5326921.126	5863522.843	3524357.389	4449130.953	5561664.111	5780846.192	6629648.299	12024921.42	9068363.522	9218086.262	6706369.899	7634781.544	9171156.904	6301288.725	7007530.526	10220369.78	7411881.642	8653694.991	4547428.995	6908437.181	4649478.52	6242734.886	15479580.41	15698284.45	13037300.68	10649419.74	13283115.76	13237076.41	8702484.263	10343877.26	13029712.41	11218269.79	6283607.572	13405063.72	16189559.22	12246668.92	6683748.23	10161437.67	14019854.56	14958208.4	12571300.69	12073225.23	19866988.85	15023195.81	13897406.66	9820095.032	14243461.96	8102460.67	14416651.47	6320788.078	4669432.958	5861938.845	12026662	7158220.907	7364142.768	9167445.694	11700709.96	8678539.696	7139098.09	8140016.279	7653907.912	7810567.438	8187007.865	8105764.965	7648791.454	4406298.379	9116476.905	10453020.26	7682730.414	7890344.054	6273642.98	6739503.063	10319557.73	8069483.199	10094900.26	11666844.59	9807126.244
Paucine	1608444.94	947693.9883	1045828.427	1422458.035	1668341.179	906841.5537	1499457.58	1647651.955	1678304.613	1996073.087	2908339.295	1569454.787	3255431.997	1449133.335	1297829.039	3121003.314	2283281.012	2075940.529	3469756.526	2275219.474	6076305.188	1371966.593	895880.8015	715783.1588	585798.832	11785763.86	9389680.595	7832676.772	7811160.248	9240712.328	10538243.28	6536534.423	7766254.275	10065611.04	7533808.558	1781100.898	9622660.348	9298722.888	8704232.877	1644351.466	6887741.321	8954330.442	10850464.07	8829313.651	8500061.671	10979237.87	10311785.1	8870461.562	7234608.5	9455809.542	1552553.716	2474968.565	1598245.759	693376.3328	1608920.02	2614520.47	1602895.674	1889814.83	1773214.121	2655913.401	3342758.443	2242112.305	1994707.875	1894823.838	2953398.834	1133414.527	2193300.919	225576.0801	1526085.828	1356072.626	3492492.596	1796836.183	1401288.906	2859561.833	1223283.208	3696092.327	2158230.184	2972447.904	4127241.343	3504958.806
PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	25844821.3	25179885.03	36281969.45	27004461.97	26612929.35	19991217.52	24452394.07	32691538.17	24630618.26	30984697.76	30769969.93	32711645.35	32660364.81	33406605.8	36837703.52	27603843.63	23187958.67	26700924.93	41663668.91	25702387.39	16723925.54	18766391.25	34510489.79	21018375.95	31294718.48	28952577.84	35310631.28	25656033.7	26805451.2	25538291.16	30283097.36	15039300.88	22238320.3	21302730.55	23497456.98	35780720.46	29817756.94	41132152.74	23927242.04	35866512.78	20199536.52	31844192.29	29917306.26	26423747.18	26994999.29	27864529.4	30575163.06	24761437.3	18936834.31	27782437.76	34449464.81	55129932.28	26751686.42	21706867.12	26895104.57	63751736.44	28457655.77	27390609.18	42971254.56	71025774.74	42685669.1	31074870.96	21901816.84	24103034.15	38616158.98	35120755.72	30002219.95	32015700.85	15655124.41	31663017.89	38308830.67	33338542.78	39168030.5	21598723.38	40422209.23	37706485.63	24333796.53	41570426.81	31075895.72	41332671.87
Pentamidine	10195424.63	8108077.245	9069930.897	9109617.833	9802077.167	6076193.48	8973544.101	9349770.896	8010979.36	10746268.48	6479018.833	6083264.288	6339185.205	4092727.274	5300858.837	11695642.83	4628332.064	6401233.544	5153447.728	5561364.332	3963987.477	6636586.642	4378057.364	6674013.451	3181375.237	4585869.631	4571916.148	1029129.931	1984181.994	2789077.531	1827880.777	1394763.824	1052991.305	3158758.936	1099715.427	966603.2516	729765.49	1077227.736	2041849.08	539028.2663	2208724.494	2489934.095	3688488.415	3833891.977	3040607.796	1051084.676	2338836.862	1235297.518	1762009.695	3183013.312	4761902.125	8111611.041	8809165.394	14564816.19	13292556.83	8400190.675	9379291.501	10527901.85	7305645.73	8665578.325	8619086.801	6175699.476	7291119.89	6416557.499	9869822.604	7040001.023	4515610.452	5069127.532	5234864.515	6338969.235	7113944.983	7247145.853	6032390.501	5012144.223	7083634.197	8360323.774	5067146.51	4733910.21	8630785.92	6375630.728
Phenylacetaldehyde	23619974.91	26411887.95	28377195.85	31781790.21	30637662.49	7968319.765	48668856.14	17942616.97	27389467.1	18314371.07	15196328.31	11856579.91	22312653.76	15853132.55	11871609.86	36745958.02	23153706.73	18873722.75	11285960.61	19218924.86	20199584.77	34237218.72	25532146.28	37870338.34	26180747.74	15910852.39	17097126.58	24886519.99	23925453.63	26834007.34	15670831.66	15861066.12	39280949.2	38494682.1	39353364.56	18983499.95	13032666.69	16406736.12	40670187.7	18812890.88	50438121.64	57318605.18	30646238.52	84530899.67	77833640.83	14728975.86	21816394.73	42547895.6	17890690.75	42630015.2	22340219.26	33576360.24	41984073.47	42392344.43	44151355.3	38087450.51	29423797.05	45429233	36631127.36	36830703.1	30351516.14	61064315.87	58188382.42	28836820.39	29348620.72	25728390.47	26443688.91	46953494.95	11230630.75	48896438.76	20229102.51	26101626.91	15426861.82	29259712.94	15922079.41	21898427.97	19368091.41	21742932.07	22393851.74	22125177.39
Phenylacetylglycine	59270454.68	31981153.03	35404297.24	49715964.41	48673428.07	90623033.92	122250981	129295558.8	108656617.9	129047943.3	50121160.1	79727821.82	65159379.4	56446829.28	79013844.63	103770384.9	68674614.12	106741005.9	222307241.9	107709806.1	155512118.7	102281262.9	126067362.6	108990239	128634723.5	192335218.8	165681077.2	153482716.1	143214961.9	159476558.6	63517752.99	33701364.72	70707052.78	61667678.84	70462326.81	45012719.01	129566923.7	93161446.54	89322062.92	45194233.96	103654717.5	122568081.1	205761383.6	113674189.7	113526643.6	114244341.8	95221223.19	150621601.5	52028990.8	152966253.7	22179246.27	55177693.95	129318923.2	129164354.5	127996833.9	77399130.29	92231823.17	174026418.6	84100416.5	81217102.88	51414527.58	96863639.39	90470849.55	47035426.7	51792094.79	138131771.2	121039699.7	128081246.4	31779752.38	132812334.2	71994674.25	61609542.99	92834919.42	102721230.2	96736492.83	33748531.44	57231637.31	63968254.03	66284076.34	65541557.58
Phenylhydrazine	37616577.12	15434285.5	19718365.16	7648892.263	7230355.977	4645124.204	7818694.762	7559878.386	5515107.759	7172266.653	21801032.78	25062460.45	11904179.44	15745845.92	22980370.57	5229915.255	1760225.893	1751238.186	1787035.552	1748065.559	2827851.947	1547321.972	5273048.854	1314832.982	6721766.119	4829791.532	2034787.926	3868122.762	2968771.957	2614553.909	13873158.15	14172506.42	10333379.71	21755054.79	20081876.76	18217159.73	17319957.82	4823431	11540790.79	18701447.17	21399516.82	20020320.63	16473335.36	16514266.23	18375477.36	13845930.34	9816305.427	10821327.37	11960722.03	10527909.04	1969582.507	12268763.91	3460887.95	3286043.524	4831059.867	3892181.092	6896266.374	5960752.477	2589080.233	3637431.569	1597818.802	1994081.5	1693203.473	13296556.06	1722667.453	1862198.225	3401164.126	2836876.747	3575538.155	2819459.323	1891794.237	3819522.698	6385301.79	6712352.494	7031263.167	1556830.638	3380829.307	2407127.148	3524944.729	2542159.295
Phosphoric acid	222069750.9	213111342.4	151265006.1	197447533.6	228407278.4	105563515.4	245906782	218190999.7	157077297.6	226145452.3	118383931.3	233402430.2	184046162.4	192423391.3	215547434.4	129379704.7	115494231.1	150745716.5	136313117.1	184600256.1	249027331.4	296220275.7	244711663.9	365667333.6	247551971.3	150862692.1	235390821.5	382025615.2	344503575.2	363406492.9	47894828.92	36799348.57	69085990.79	65557849.91	67845998.75	90269448.52	92435819.32	153792172.7	71174884.13	86447092.03	219186614.7	264515521	314953457.5	264501894.4	264145688.7	254327140.2	229075364.6	265963419.9	275297129.3	266503765.3	190968479.4	132140407.5	437954700.8	425484798.4	417151301.1	308576618.6	117494151.2	272234411.4	231801071.7	260763591.2	166758331.7	154611662.6	165546606.1	209997537.2	163213991.9	199768100.4	166712474.7	191497488.7	274973827.5	190067298.3	135508601.9	141735411.4	156043863.7	142421612	149386287.1	141045784.9	53070709.12	38101228.53	43130835.25	40201055.07
Picrocrocin	393630.26	1251969.268	1051998.877	35613.83931	1081149.377	1057502.045	2143987.423	2332635.043	1647980.377	2991911.493	443671.7977	720294.7616	674574.4703	28707.91549	694947.5063	1323391.249	1691929.846	1192928.07	1031515.96	1400011.377	139545.9919	1327899.591	1398831.183	1600185.794	1173705.627	902416.8751	171454.2614	1550342.794	1434164.354	1675600.071	629227.4592	402866.3243	927419.5006	1049703.49	926350.4401	925542.3409	1805197.854	835425.7329	1553838.605	30176.04025	1210521.972	977820.0822	760889.8777	1099747.505	89752.10421	1000784.785	1489229.041	2267129.516	53838.05684	2356571.676	544842.3653	1142040.594	1697843.966	1685113.086	1080030.15	2153399.042	1333120.746	2247694.973	2334059.422	1344952.686	642196.2793	953318.2331	1262044.751	695592.9042	529517.8967	2532449.986	2370927.684	2216044.24	1009942.759	1753439.57	755344.7937	818144.6031	628642.6189	725307.3188	683577.7423	1418958.263	1726165.94	2128969.798	2098950.109	2063942.144
Pimilprost	4783633.125	5666907.025	10370584.05	3829888.854	4010366.747	6490162.306	6081661.751	7479610.516	5054782.795	5508071.183	4336976.956	8600825.315	3325204.695	5181605.853	7306702.914	2702810.706	2174116.325	2524983.969	3862414.532	3348198.074	58577685.6	2476641.378	7829902.968	3069977.512	6898830.36	63597942.52	77495922.75	61424830.93	57049556.45	66250183.14	55964608.19	63774648.75	54491662.33	77184388.05	54554325.36	11820802.13	70741096.89	71539706.97	75506073.32	8699495.743	36814157.04	80576518.96	75432341.48	66148255.91	72447465.46	80942864.14	44187074.96	79148399.43	52832617.54	75671995.72	13665496.47	5565480.431	5440751.422	8656155.134	3675920.725	9988098.73	5294769.163	5266815.944	9637231.234	7936364.037	3742054.204	5361039.175	4128241.261	2945034.269	3573437.796	7861957.405	2266225.84	38255793.66	2560039.469	40726569.63	2620487.995	2155570.732	4062235.915	2283280.121	4056906.9	3034584.416	3316240.222	2766159.311	2840983.044	2758537.808
Pipazethate	543165.2043	551863.0774	620501.0441	526991.8327	537818.0909	488610.9399	2369313.533	2756796.538	1835786.613	2630108.448	481814.6879	407923.6794	344108.358	374479.0862	406452.5686	342895.0244	315185.3983	354400.8549	398099.6848	315484.3939	391586.6771	360004.4274	475877.0049	331931.6764	415609.9785	535053.2416	621777.5513	538447.7378	465390.7871	508650.2346	518184.5675	352801.2602	411895.0452	443414.1778	440159.5854	1123122.148	2146579.095	2806337.138	1303492.461	428091.8271	394455.3461	477761.125	582286.6944	472597.8823	476204.756	535674.181	584260.622	498329.6716	391985.204	484327.9761	751093.355	892728.7113	597182.4974	544640.8915	583885.4603	1081820.979	719306.0662	733803.3912	743913.2366	967379.0745	476022.7921	536614.7115	354927.9013	365370.5849	414353.7679	8995385.23	383235.8875	382471.9493	272178.9766	554247.5353	407644.3076	353236.04	373707.1917	303297.7564	377123.1247	419746.828	354221.5925	421201.7725	437249.6817	439744.283
Pipecolic acid	11912152.38	29066759.74	33756924.75	135640577.6	40748418.13	24264567.83	39362957.19	32583588.09	38050159.12	27711992.34	18682157.87	25142346.09	31760660.37	24028077	26063398.34	32333314.42	22675003.45	36633547.18	26596310.85	31149789.27	32662194.87	23795321.95	25390254.36	24726156.89	20353533.83	26871551.15	21907030.22	26985453.05	15458879.06	25034816.07	28862801.49	16462133.76	19314011.49	24313557.37	24646973.29	31609269.78	21610742.48	24057902.27	30014599.69	26890736.37	24461385.71	28856141.31	32119654.5	29357718.35	33426224.97	23881770.47	29039954.59	24516155.63	15349993.53	26452524.78	23639188.48	30898186.75	34772571.59	31622168.77	32800506.07	29943444.35	33548038.04	23719897.76	30606332.9	26673721.01	25037666.19	33916699.32	25533069.72	25422914.72	28406680.49	19942843.42	24428471	28325994.65	24253881.79	26958778.22	29634991.98	23669496.03	25539343.42	19936154.68	26842174.69	18998574.48	27706781.97	25609435.62	24980695.46	25627463.1
Pivagabine	8288032.386	18873718.82	21622158.1	26517610	24368842.72	29958694.97	92345771.67	78788467.82	39544451.6	71105202.77	1319341.98	2473314.269	4026577.032	3231843.818	2553811.251	11545721.88	11518283.18	44310692.98	16733986.49	41365866.44	21449806.58	5995333.557	15172326.48	6581906.246	14839150.88	24908338.18	23996831.02	22787868.46	19785172.14	25193623.22	1488373.49	2159982.412	4467586.596	2112557.622	4762198.097	11378338.49	17336986.26	21498730.09	18182586.43	11171281.12	48389600.77	34506872.63	16259992.98	45368548.2	42458567.47	20616919.92	26212989.23	56086312.63	35626437.66	59583061.22	17805769.77	35246639.37	37815440.98	36274850.71	36910538.58	52381909.84	60096045.44	39611254.08	55354504.73	59473823.37	16522424.44	36063002.43	31353823.35	12461886.64	17865853.7	68920480.19	26710457.52	58402364.61	21470748.05	68864066.12	14323547.79	9457756.463	21376267.15	15909800.63	19598882.61	21358476.58	23850099.99	30544552.06	27544045.93	28436661.41
Platelet-activating factor	5719013674	5755745380	6380296536	6330877665	6744142692	3988089666	7651224661	4940303216	6906990846	5257085942	5742465746	6149589629	6388423075	5735561337	6062944353	5148258563	5414250186	6417501458	5598298907	6544022205	5391692947	5637000811	6138359189	5365309353	4982171519	6383697325	5425202389	6033769440	4590378192	5885766332	5611944798	3482057062	5916913920	5332155065	5632222977	4817644998	5459761199	4826266940	5019318640	4373398900	6346420865	5722383684	4591485539	4355532974	4428291890	5371235809	6477976674	4666676650	5943059346	4670415565	4426556622	6988724719	5806733178	5116701800	6285529090	5487421952	4654497373	5221411129	4716564764	5237657716	5203982104	5283532291	5204599164	4382998513	5243654333	4770671334	4827408361	4018618875	3733238307	3965312665	7876390847	6250839276	5708181770	6011534180	5903440266	4346464227	5360954843	5692464834	5336529150	5327323663
Plazomicin	11775597.66	25481380.77	44200432.88	19599952.47	22127128.87	24557342.06	23040965.31	18402055.22	29687122.91	22652361.55	38101055.59	36523581.57	31462812.35	43203116.41	35461251.46	25774163.2	14216757.51	22506100.47	27043365.08	22028212.57	8476029.562	15053091.28	34261264.43	17955101.12	34402203.28	25814337.39	36153974.82	25940376.94	18890675.86	24988165.54	19960370.19	13065960.59	12737336.97	21427699.99	14582066.31	30959617.71	22293770.61	34403890.48	25099707.21	27299956.26	16916378.02	26481837.96	25362632.32	16839299.42	20746541.32	33817251.46	37562840.39	37981551.34	15234662.09	35813449.12	41794532.59	46564768.8	25134943.85	33488505.55	20388322.34	40273798.01	24906296.95	23753432.5	30427761.43	40171641.17	25586777.86	29974724.55	30045821.87	31777438.08	20959629.85	37644703.79	28574709.12	46313066.36	18020377.04	48720244.47	34040371.4	24145823.99	11282874.34	18388685.95	10638258.19	36546102.22	27711879.59	29943060.11	49131178.96	27140255.95
Pregabalin	395306126.2	515912457.6	440810128.3	371648021.7	298149133.1	247301918.3	492870596.5	223477088.5	357556493.7	211244375.9	782811628.8	1196053206	753532505.9	772829680.4	1161525445	951083880.7	422652600.3	676261223.8	517606312.5	659358379.7	413673093.3	379726429.3	495409854.5	401265577.6	488580420	460580086.5	424914543.5	490012660.9	388029455.8	490346662.1	328690457	322410730	284551692	283711029.6	267936683.6	425187296.9	235435399.2	325123851.5	372929783.5	446335967.1	530486446.6	502624885.3	326753807.5	494627175.9	444258154.3	778795607.7	405783811.6	448385576.1	328145075.3	408125424.6	309091078.9	203428739.7	375828648	385471042.1	250715550.5	510672134.6	343796536.6	307107046.4	418576798.3	477842149.9	511237712	593393308.3	501420585.1	204242179.8	600869958	375491018.1	303316146.9	260623148.1	173953099.5	323443786.6	367510415.4	357781124.8	267933455.4	368172422.6	257535850.1	343171665.6	353495078.7	299086894.1	371288965.3	344609264.2
Probucol	12497929.29	21337500.95	24161690.88	11467726.66	14161343.03	14616577.78	15955078.56	20958093.65	25319498.08	13597918.93	35062032.81	31243540.08	29010629.34	31271046.01	24428506.2	25415590.28	13427016.18	21601204.37	26813236.98	22689246.23	28881951.29	12268501.19	20055367.51	16177034.19	22913207.2	42420740.46	50743268.2	40638723.46	37003796.01	38553011.03	36487868.4	26877829.3	28113368.53	36561183.42	30837126.98	17888243.53	40215769.4	43941723.11	38580396.6	22874557.13	27866173.3	41089625.31	41378323.38	33159012.54	33971313.15	43060284.34	46491203.52	47000584.48	31033926.1	48670311.07	33480203.73	33157733.04	18854905.38	18957225.79	19007253.05	41896967	18535343.9	24690414.87	25210514.43	35821308.02	24912086.14	24653582.13	28787854.08	25137636.46	24865476.65	28686540.77	28056888.14	33468536.98	19214593.85	40736930.78	33361429.81	17152020.42	13044142.4	8175296.312	11750567.45	29472456.34	26956030.86	29067978.93	37324938.84	23538949.25
Prohydrojasmon	633266.6308	856729.7663	1400078.299	898249.7113	1009225.484	14927446.95	23869460.62	66282369.71	26759334.59	60494164.12	418541.0524	485612.8289	631350.2767	657251.7164	493684.774	11780996.99	3864419.284	11212622.49	8675056.04	11043179.32	7563815.309	6300529.79	3849604.729	6629963.863	3148538.295	109889037.6	78413379.16	16480664.35	11610716.1	20496457.07	717038.3799	827571.1412	3290122.684	591162.3405	3536898.474	6202808.094	15323279.72	26437517.62	14609595.33	6865834.38	1346580.058	731632.8126	1262037.604	1055683.489	1269573.342	16300187	13784070.16	6111494.78	14831215.38	7220971.602	785101.7454	866814.077	1374934.421	1450288.064	1922873.917	38122296.35	14723152.03	22379514	39093724.49	35401498.27	2152068.636	4379245.988	4103097.524	1767230.899	2017541.479	44460226.68	37811379.57	63402798.13	17954292.75	74684811.05	752065.6682	2610711.427	1742902.776	1148276.045	1913196.379	14440373.72	13714472.18	22962721.91	21923409.04	21881963.98
Proline	57236125.04	60414033.37	53381471.36	36223191.94	36256386.59	31666500.1	114172004.2	63521608.14	75204251.7	58051440.13	83131992.2	53767028.88	71704485.04	64040435.32	60626851.33	68904855.01	82259133.78	71705827.81	76898346.49	62600774.48	74683763.82	53637458.51	89001076.58	53948576.54	80516272.02	47898456.6	59495900.26	63347206.4	61357399.78	64588661.05	90851265.42	33791626.4	74251760.92	75888729.9	77554033.49	29343566.6	24576199.9	39120626.45	57538909.19	30373640.67	91773012.86	72149240.46	24200336.67	53130615.08	52698349.99	52366860.99	52685368.43	42190263.83	39089035.46	46824921.37	18592360.34	72448589.11	38350986.98	43334129.62	34967618.11	33460799.73	55816642.99	48951966.28	36873129.43	32327887.35	35242513.54	40563135.17	29324460.89	38734598.9	36759593.4	21881002.3	26747782.11	25825509.53	31165905.21	31206191.16	27818423.31	26556231.31	27509701.87	37779948.23	24814876.54	27440465.79	45978917.51	33013500.14	27234770.24	31866131.02
Proline betaine	1508615.626	907363.875	614716.2651	631698.7407	1215520.033	1007301.82	1897132.271	1170643.493	615822.2097	1039490.647	1119252.379	1171873.885	1368846.124	141438.8981	1175667.181	1293310.598	182512.2163	925827.1277	141572.6891	756040.7955	216364.0777	1401658.207	1898192.919	1512225.254	1709897.006	2010536.849	1365676.236	1444246.101	1806147.95	1513350.843	1787378.827	313971.1623	1387460.411	1364394.48	1647878.524	352053.9658	568492.5171	1364419.547	1524283.583	1609209.518	1842101.214	1818915.937	1869722.113	2117283.866	2354636.121	1276077.37	656275.5489	1202949.058	866392.8719	1746315.882	1175495.608	1172093.825	880887.1302	1092853.075	1095243.855	1274646.827	674518.5806	1869152.407	1188637.616	1629106.109	1081466.787	1492589.531	1136830.428	746868.9284	1085415.676	1391120.678	692440.8769	1131774.31	612543.3509	1198123.87	854837.1342	259147.278	1553284.497	1050703.5	1445435.621	438501.7554	855375.4054	701665.1882	905667.454	581377.4777
Promazine 5-sulfoxide	115938788.3	79671688.61	87529062.41	61260425.44	63446152.11	23790079.17	24238749.86	10593168.22	28059862.26	9659741.731	388484.2811	440992.5903	360162.4427	331655.9448	399387.8503	306616.2118	256206.1898	245513.6216	305305.5272	274873.5464	205783.3771	205249.7153	310480.9561	261175.2835	311513.6023	263193.4806	310355.2804	203711.2536	262435.6455	250828.2196	271849.7831	193044.8615	232326.6124	279854.0865	247362.1189	286988.1707	268973.8371	354899.6254	249497.6966	292184.4748	254610.2859	281238.3064	367828.3044	272069.9786	260144.9869	305537.2875	397503.535	254814.1353	244835.4602	267414.191	493282.7878	492804.793	364883.6017	357911.8648	366572.976	509267.2146	441699.2738	395002.1308	482192.1215	494454.819	391871.6583	288258.0356	280678.962	281653.4688	347562.3839	327854.4734	287623.6009	334170.8503	245147.1001	344066.3532	336974.5955	276016.7506	247889.0067	250051.3592	236726.5948	329572.7026	285826.641	309149.9024	386085.0023	293465.791
Promethazine sulfoxide	11796066.2	15343162.28	10211738.67	13340776.11	13875467.62	10427288.85	12010677.63	8593362.146	12235631.64	8732119.982	159205.88	94031.24488	248438.8967	106424.2652	80107.22054	90405.72645	93117.38124	101633.0133	114763.9672	104375.2793	198102.2204	175892.8314	175136.2844	169296.5895	169781.8669	192466.2511	181361.7886	180788.9876	151371.78	169922.6967	186352.3222	157666.0181	177310.1544	166763.1026	171295.6816	168451.7709	227339.1906	246871.5882	176459.3046	184151.0384	159261.3958	186246.3789	222373.7447	191528.0027	188465.6256	219897.8738	196072.6696	183454.4375	159292.0879	176742.9182	213851.8692	973920.5689	225034.7063	204512.4874	199818.0343	259719.3997	220641.8585	223140.2682	259228.879	223328.4072	134744.0466	263112.9544	209793.3878	148994.2711	111673.5185	313240.2632	99782.00564	106209.6197	93534.85909	145261.5875	102553.2414	94548.61757	84796.73656	78868.57067	85586.52565	149713.8849	190944.4598	147338.7903	146659.1584	110174.4705
Propionylcarnitine	3096065.999	5529061.134	10581764.13	7114009.611	7706602.45	16997820.64	20536500.06	46196015.75	13260667.68	52365435.44	1892137.709	1211272.94	1753408.386	1707672.973	1795819.218	2057639.628	1920648.817	4172436.933	4048931.125	4126894.473	31694561.94	9888635.943	7135124.405	10092440.6	8217878.035	19528434.84	69644208.92	22755616.64	18216717.26	23321768.67	561175.433	1217821.289	2170922.872	1151908.457	1700424.923	4186170.62	13186492.61	12518233.25	4975889.862	4246613.73	4426823.877	3435899.646	3302450.809	2470949.188	2191326.037	12386002.41	9949940.072	6591939.645	19165621.23	6291928.981	6780396.972	2675063.623	14049280.07	12589846.42	11328812.81	26431684.24	18362410	31968243.39	27973543.73	26594982.55	10287916.98	17905783.9	20163047.2	7254655.318	10880173.95	83197204.23	22016421.39	38223716.15	13889519.08	40386497.37	7052544.796	10514274.79	13516049.94	4390277.202	13797831.35	9720091.761	8893087.397	11772306.88	11367456.43	11007863.05
Propofol	1502950.474	1996525.184	4451495.483	2688123.515	4357715.784	632177.6051	691630.495	914638.356	931959.5465	1364043.786	1019777.436	882818.1792	1334178.753	663998.858	677885.9278	217299.1563	175051.5479	348053.3109	530167.8756	248660.642	3572454.421	969737.4779	734083.0513	1732914.322	944773.9452	559079.8402	1835121.21	601214.7563	509902.3956	383742.616	433636.9861	360348.4653	280148.6201	532949.7138	279032.4226	319597.3271	574395.739	555502.0332	409154.7698	280539.0259	664416.1825	917427.2918	1118176.232	349947.1586	605788.2935	368207.7853	1193679.529	1113218.61	1031424.487	1344490.819	1567798.918	1526249.896	2530424.381	1769926.79	2639410.606	2320065.143	910258.1163	1030298.431	1779833.063	1443345.107	3271600.213	5510286.918	5660592.998	2032005.672	3118438.893	2461771.063	1064742.784	3138700.739	859883.5067	3018507.941	1554062.757	4116099.076	2512273.349	435561.3259	3508125.186	461955.6622	369446.0409	627482.8744	588788.7653	593711.8242
Prostaglandin G2 2-glyceryl Ester	65916614.28	78246185.62	85536809.74	92923223.09	80095413.64	50180161.72	62766204.63	83400985.19	80199117.53	92276587.16	59724523.42	57573854.44	73480750.73	44174401.7	50688006.38	57523166.32	43009234.12	53159809.36	70470270.91	50654468.96	8256388.335	26131871.1	27542630.63	27408383.15	23622279.13	5559650.262	136693.3873	3074247.046	7615171.337	3658241.625	165720.7173	231618.0871	6691370.279	116689.8303	6838188.487	118989.0015	1678699.366	4847197.612	6495067.784	123192.8045	6331565.751	829919.1012	204964.8139	152423.4107	148783.0032	2286127.298	10239223.94	3897688.691	4783137.786	5598080.707	60577796.33	65994492.88	117492475.7	107156064.2	104580420.4	74062132.67	92907466.63	74766085.44	90541665.6	89902046.85	54910418.69	39115857.91	52001942.47	53073369.08	39094448.54	62898782.88	51810032.36	46187304.05	38739703.73	49384305.85	62201054.59	70040652.52	48429640.87	63574352.19	55330374.2	37289203.95	51704909.73	51906572.82	36186459.21	51224685.52
Protodioscin	3046270.359	1209840.238	1684821.23	2186724.532	2619345.787	955693.6461	2775557.465	3106024.632	1123158.834	2234409.978	1176079.46	3351265.801	3581619.765	2634782.774	3576023.248	2827535.088	4047116.242	1795631.29	2771355.769	1467154.688	720323.7444	1708474.209	2793698.22	1245946.082	1564374.813	3629780.536	2156838.778	897048.2448	1427915.261	1054580.332	1015590.121	1382640.366	830841.6239	1210663.338	2735945.476	3933358.759	3156305.796	4966216.157	1383536.686	1644519.815	1178128.106	1401047.154	1517554.97	2723660.424	3635861.565	1224860.803	3903911.637	1436385.096	1602671.855	2011915.957	3449931.708	2278430.785	1983058.143	2344427.717	1719285.109	2611135.16	2992757.788	2468712.552	3317850.826	1828640.069	4617731.141	2760959.833	1742021.414	1866131.743	4785933.512	1717333.019	2579092.834	1879315.282	2195535.717	1934590.481	2184964.167	1899989.55	1378195.836	4345709.409	1608925.18	5344249.765	2528474.549	3456994.948	5153810.147	4483332.379
PS(16:0/16:1(9Z))	1278255.148	2516941.738	5188680.92	2364791.049	3116966.889	1926275.791	463390.3924	7792975.914	1600166.63	7646636.425	1342121.487	935513.9695	889783.213	600251.2582	568000.0617	374024.7891	274720.1552	840063.3907	346793.4272	680812.3711	49419203.04	30196332.41	13703840.44	30319044.46	14302388.75	26685004.28	29783850.63	3248823.667	4726037.263	2703490.663	131681.627	570884.5125	577061.3877	521927.3708	717344.8755	603651.211	2541010.681	1966731.476	1221046.209	472374.6668	1658117.953	994830.7961	1067712.929	522214.9465	301510.767	1980878.171	2045226.927	3028071.362	1594159.696	2980483.269	5769567.219	366632.1146	4914355.258	4799290.367	5153732.106	5518658.386	1656630.55	1017334.998	6244480.994	5291287.758	7814081.995	25509563.08	18508268.17	4416546.149	8585304.273	12435283.7	2658620.646	9481639.433	2285810.385	8909272.328	2205209.89	6944073.649	8682310.891	2055352.012	8778869.842	1477355.689	1637880.295	2633218.858	2723548.664	2277502.472
Purine	124223340.3	128793053	96708708.45	149953192.2	155039271	94553043.59	223590423	129287392.8	267737868.2	128719583.8	84462756.83	91178818.92	72944706.77	64388815.03	74744175.94	129993713.5	108909626.2	128594796.4	107194732.1	104133187.3	36328637.39	35930819.37	63306305.19	51091664.3	60229435.16	82328532.98	41857910.96	93499818.06	84268653.79	99074113.01	76021067.62	94613240.83	104165651.2	85568366.11	82938497.71	151189560.8	69730796.08	131048389.3	98825824.52	147708841.7	98191692.04	171566345.7	153303786	144286423.7	177348144.8	58427148.51	62569505.85	68340816.15	53205671.2	73363290.59	102817617.1	126151442.3	104479652.2	113048164.4	91322075.7	266269721.7	187072230.7	88909862.77	264829394	264491255.3	94150352.25	110820490.7	106787293	102978328.3	87907255.76	139253947.6	142053581	128339888.9	144345860.4	130932842.4	94591349.48	92344698.12	106152907.9	133920251.5	108075527.7	150226573.3	201665273.8	143134525	200125461.3	231414809.9
Putrescine	1001722.506	2192760.656	1069886.098	1561106.069	2008492.899	3568130.881	4589019.168	3712609.156	2880758.817	3081691.38	978369.2544	1779385.518	1205916.839	1391401.706	1884729.517	1961550.823	3499319.672	3343486.192	3176481.51	3076375.278	403342.1763	404150.6959	384030.7418	420325.3777	432243.0846	1416409.446	520066.143	6876543.053	4261155.145	5525672.067	1284100.743	474734.1376	739521.7936	463297.022	552671.4163	1752942.135	1726531.402	1971814.127	1767958.786	2804643.009	2616848.945	2211710.05	758371.9816	1958940.114	1721237.504	2696137.098	3424658.272	2265182.86	2876652.734	2851851.889	895139.0231	890737.3043	1487263.903	2001238.118	892080.5398	2088444.353	2949232.966	5674464.539	3233369.807	2798050.418	602751.0702	1099933.896	1816577.04	1058133.418	1223037.202	1519920.61	2432668.602	1511637.705	2793866.591	1382152.518	1904795.786	972574.2099	846916.843	997122.9415	1575841.002	1737660.808	1466573.647	1435724.504	878355.9262	1311916.699
Pyrogallol	18348089.4	24022756.27	18297954.5	22054284.71	29732128.91	12454242.51	40633745.85	22762711.06	48510992.47	18302294.69	12545066.7	13891606.09	15937142.64	13373766.48	14739279.02	15788223.11	16611902.44	22184743.29	18829119.05	20130242.07	6312918.394	3273397.764	13635318.68	9835349.172	13392567.48	16599503.16	7532039.303	19063604.06	20818951.22	15417812.86	11568267.41	33932057.05	17274281.8	19377516.12	23938328.59	44709277.25	13982126.81	16350259.51	41476498.99	59069704.79	15192073.19	28584001.11	37273606.3	22238141.91	20435677.51	6645628.445	9496143.522	9292545.261	9294539.181	8803099.158	17009409.49	20125009.83	21680478	19415170.75	20057190.71	38840454.81	26207255.15	17438106.32	37916679.51	40483869.37	7042478.541	12288710.03	14562395.9	10760969.85	8633453.021	15570203.26	14458923.64	23971101.39	9649893.333	13602184.86	15992095.86	9849857.885	15628222.29	12181887.19	16033765.56	18747326.91	23224467.61	25215807.89	22516399.22	22324745.34
Pyrogallol-2-O-sulphate	1544203.609	14877541.83	117578.2417	25169590.76	31657160.71	1360532.08	2700631.934	2005204.923	9751173.827	2916616.187	806186.9344	588173.1397	1373723.763	107126.9533	578167.8132	1306206.561	111834.9481	951689.8121	2081710.732	984046.1495	1519748.124	3619177.999	2008070.962	4662437.946	2638605.653	462468.2681	471559.675	591398.4292	1029515.864	657887.7515	3280159.764	708775.0826	1969872.488	1995965.396	1522625.651	474386.283	190142.832	143166.6011	2506283.614	571102.6797	5441445.611	3123137.793	149567.2986	3656530.855	3694340.231	151935.6739	725244.2026	7354883.311	155017.9179	7053355.19	131758.7095	1569319.869	136846.3875	143646.8895	136689.291	150110.8686	145237.3817	800287.4803	150850.5742	148727.4507	102094.2011	108863.4211	114254.0601	853279.1694	117995.3414	118853.6244	1170399.018	120607.8572	112546.9046	123060.1203	7357228.6	8257458.374	3684293.952	5184241.225	4239220.866	118206.2733	1497583.528	215152.1147	494157.7542	244314.1479
Quercitrin	968015.1069	1632390.605	865918.707	964315.2631	1221660.978	276725.0545	2895963.615	2118785.362	2035458.513	2269374.95	1309369.082	988955.8732	1999781.92	1442179.043	936724.6666	3119090.471	1044280.912	2084484.142	1362612.644	2174899.887	2595676.354	4432774.991	4806190.634	4481120.563	4991275.909	2483228.878	7315171.692	3014408.076	3019931.274	3543779.171	1215701.796	1085155.707	2233815.551	1556817.606	2644757.066	936476.1356	894174.5601	1385917.014	4161813.951	1081785.144	1102601.201	1047225.67	605697.7206	1234320.196	1436417.829	775150.9389	899861.4652	2714763.063	1081878.114	3092212.231	1134079.348	1612032.631	617730.5657	502678.4942	798275.4833	1010849.062	962363.5231	2270129.599	998713.428	929735.5148	2927090.412	2399732.337	2474671.72	1042136.136	2933096.493	276495.5608	2042807.162	1329847.991	492393.331	1275632.183	964113.1699	5217746.346	3462036.702	3200986.503	2630684.087	2387770	2314861.891	1917805.062	2083961.306	1976096.528
Quetiapine	16800156.33	20966487.87	20107442.11	16922583.1	17148330.45	32800873.12	49228794.81	30474118.62	48454915.3	31819584.03	11998841.16	9939706.112	13214470.74	12709214.01	7961067.459	6572855.305	4216313.444	8798458.592	4209671.826	9041307.724	4466310.696	3001668.002	2674329.08	3487136.285	2672026.527	7299805.358	33196090.66	101230005.8	4984187.381	102598927	119913390.8	386627338.1	735301888.4	320836622.1	726387536	832551521	703723922	4080188765	1917300907	763727101	14404642.09	9628605.952	32020392.8	12546124.46	11899935.76	20368640.9	48054745	24646480.96	10572446.04	24816649.64	21271232.1	22153954.37	16531588.61	17036807.69	15891653.09	14218042.84	17220990.71	16630588.14	56227024.03	13688395.62	3194233.499	4486077726	6593893.459	4489763.894	3158824.877	132850199.2	5652637.578	7605387.195	3449855.997	6504536.064	3644123.667	5989452.047	3062520.102	14041351.75	3169145.604	15185781.86	70122976.66	28121313.94	26128790.83	26701685.28
Ribothymidine	28520381.29	20289716.69	21344405.89	12122413.9	17430282.7	61298276.62	50218891.92	22972468.43	33172193.05	33076445.86	22784345.95	12112452.7	14168060.17	14996035.38	12891981.11	39411680.74	34017307	32188773.94	22835557.32	26866772.32	12370796.49	6635003.24	10426168.71	6207888.261	14363625.7	18393960.64	11870206.71	9086760.657	11469873.6	9230367.356	12971658.78	7817909.509	10541969.91	11481024.8	9175068.345	17407766.48	8377902.247	12266490.87	10345320.64	9785325.044	27670437.49	21952078.99	19833456.46	28449072.76	33485597.15	37599196.78	23225617.76	19837969.22	24276738.13	21614687.76	20827033.94	22590891.12	12191983.27	11362043.62	11608123.45	33527245.07	26348924.74	38137237.77	27089154.48	44956067.98	7189317.152	15262146.16	17777688.6	14204536.34	8703308.43	10003229.26	18444450.02	19858750.79	18813369.93	23239708.86	11021651.13	14360561.38	11316440.42	18026490.13	15380463.44	14225165.75	23209280.43	22401735.77	22283577.97	20588305.98
Ribulose-5-phosphate	8854635.371	10234392.85	11012919.3	6331886.568	6896840.426	10591950.27	15801484.56	13905826.2	12247207.66	7620471.184	20956594.65	13975525.99	12713924.82	11444788.47	13227709.42	13972255.72	12890838.95	14551936.59	7360895.912	11112111.71	10287607.34	4100533.495	10952317.25	3177619.465	10423887.51	9566639.833	10296374.73	9160081.53	6539159.362	7485068.124	15531288.13	13848858.39	18136851	4283554.1	18769249.55	17023231.65	15255484.65	18710764.13	18859468.56	11522763.68	6070818.221	8081472.315	7250556.552	5056381.926	9230146.166	6788290.361	14278430.45	9873642.464	8902886.839	11975509.33	7519127.747	10050844.83	11547250.39	11661461.14	12553091.45	17745905.44	14017499.62	16012950.86	23803393.07	18411350.46	9005559.668	12494838.8	10870753.38	6472733.445	9443533.086	10715883.6	8643797.294	12493278.53	8272381.78	13893173.08	5638795.569	12371916.46	6328470.986	6540019.932	5461469.534	4887623.48	8243603.496	6748320.016	6229830.208	6147656.785
Risperidone	5402845.443	5294986.249	6135325.397	5163689.233	5287474.951	5258040.24	6021203.498	5360707.907	6023533.467	5728551.867	9816149.186	9738288.555	10234222.3	6981786.214	8001197.583	8945194.467	8241562.166	5918688.53	8734774.972	6742500.382	5384220.513	5010251.12	6978101.708	5208945.866	6226166.254	9821893.964	8933362.168	8532519.574	8318848.65	7798420.288	8686247.171	6868946.669	8513775.81	10474792.3	7804545.028	5711445.358	10033185.11	14852309.14	8966488.831	6495662.24	8147211.354	8714259.136	11117801.98	11021829.93	11801155.68	10439474.5	12372559.04	11798937.51	8101162.65	10104687.51	8922124.051	11159848.56	6551853.817	4653026.654	5828537.721	10037995.57	6914636.129	8724356.684	10553426.38	10603599.51	10798365.6	8476319.626	9198834.354	9188235.393	9057427.872	7006123.13	9370930.677	8260002.3	6135234.376	9015889.249	11480890.88	5853527.064	8015331.123	7631897.359	6230110.87	10234988.92	7162289.093	7894128.142	8606327.165	7753168.131
S-2-Propenyl propanethioate	9999082.683	10281340.8	10445990.29	11610607.84	8200383.96	10577352.09	17745536.3	9985402.843	10027305.17	8943038.435	17892790.71	12665370.2	13433632.64	12395891.43	14014191.14	13303072.42	11836392.61	12759905.75	16853635.26	12060172.04	14762280.76	13476476.05	13068569.93	13396071.28	14753155.83	22239548.35	9351068.76	13578399.01	15421759.61	13466148.68	11057955.58	10843781.16	11063099.61	15875379.45	11952977.51	6141876.775	6923552.969	10536944.5	8949782.897	7531573.887	18732968.39	13373015.99	13799109.97	21421522.21	15050255.96	15875249.49	13728625.04	17227115.98	17585437.44	15919113.84	9688687.511	8714997.482	8695158.614	9086367.333	9483851.318	10615280.48	7078997.594	10264552.42	10992067.26	10954394.89	4749538.86	7462754.042	8499823.354	9048288.671	7725953.977	8463373.629	6497209.258	6593235.561	9327475.23	8077003.658	8132519.445	4521926.807	6493190.623	11617241.23	11904633.47	7151420.616	6854364.494	8076353.617	7514749.288	5176454.735
Salbutamol	1688475.724	2154727.541	3505984.539	3169032.104	3034691.83	5770063.265	4274576.431	28007282.95	9201388.253	25280703.01	1418635.077	1088875.609	1587487.57	1400013.662	1046105.282	6154297.567	4803460.127	7597106.728	9537736.649	7611129.372	2480991.353	5585645.689	3944589.732	7600151.064	3925449.724	7457441.993	11050532.37	2723287.092	2618145.557	2667136.967	1058941.362	868862.802	1685283.739	1231360.759	1651758.115	5712599.763	4236430.553	6300313.701	5614932.683	6087941.457	1299164.102	1544026.484	1765596.01	958969.7403	1113035.977	6482730.308	2831386.526	2239068.176	4420778.779	2584300.363	2701129.981	2457220.729	2528667.425	3270255.777	2876051.316	12922158.63	7793815.444	6734305.71	9557209.916	10310501.67	3619662.149	6981350.215	3535427.159	2890873.432	3726577.374	10211778.97	9816808.688	13326138.68	8437209.634	15975019.47	2981405.316	3094783.161	2504004.729	2528036.307	4114513.138	11111436.86	11573657.49	8291306.697	11515550.88	8782579.365
Salicylic acid	6645318.811	11599869.07	10478080.99	14638155.86	14625544.15	2796828.219	8915819.179	5827629.739	8654790.235	5919288.852	18699188.81	23479019.32	30022772.07	20966844.72	26901578.81	11137959.11	12249117.54	9654949.699	9731480.434	8548927.593	10062288.5	18405621.69	14780053.56	17835568.23	12862652.32	6832096.532	5646314.522	6333528.986	8470236.349	8271103.294	14282646.44	6451843.776	9198241.883	9226760.224	9623282.87	3383468.959	2496175.102	2988929.381	5725737.263	3781575.544	16989912.76	11188376.97	12040748.9	14182766.93	14563117.54	8915189.515	16540142.16	19032230.26	10750219.2	19216464.17	2927615.779	19288117.66	7913691.911	8173843.628	8266742.544	2069763.499	3862519.941	4244166.032	1777227.389	2025097.785	14755874.87	7919389.971	7085094.979	15239145.19	14667651.57	1280310.525	2912487.513	1586644.906	1869600.748	794881.2761	12600507.63	11462902.14	13823035.47	18772667.02	15947372.29	5194434.151	6652304.27	5796968.375	4144171.618	7391269.259
Salicyluric acid	2445340.103	3889130.709	1671158.37	5220579.003	4663449.357	6441497.257	15661052.8	4375703.507	3354551.317	4313851.985	2077810.301	1833785.59	2874877.913	3370078.455	1833672.153	2682162.243	2840272.056	2962277.579	2486617.41	3736078.557	5565798.274	1341268.957	2006196.134	1340944.327	2210370.566	1877431.033	1660520.519	2211874.215	1878776.712	2033326.363	2237702.031	1143724.624	1488057.077	1015285.952	1410023.094	1187325.964	1433764.405	1538519.257	2245458.831	1363278.277	8973687.896	9288039.637	8443564.253	12374431.26	12297609.71	3139384.422	6678387.075	8296451.337	2894733.707	9339396.408	1467578.269	3040006.696	1632440.768	1781038.396	1833097.36	2050038.727	3572964.069	7458586.264	1749532.501	1813681.505	1118514.318	3266931.901	3337438.634	1869609.98	1557285.227	1560542.598	1758227.144	1650587.973	1912396.574	1377132.231	5314422.748	5301080.298	3607038.542	2610893.033	4881447.941	1015288.259	1307034.795	1796427.084	1442701.881	2130037.789
S-Allylcysteine	17777887.01	10573257.96	6023535.355	8536499.143	8406676.382	5041647.133	27787344.66	8031718.152	12426388.26	7048792.055	4404370.506	7736074.838	5026852.917	2883739.715	7267454.259	3382224.198	7703881.543	8526605.095	4035105.757	8561582.212	6427620.738	4439775.083	6311661.64	4880554.17	6801636.06	3625170.892	3913426.149	5051682.282	3843286.339	5210694.515	2657016.27	1453937.584	2322091.057	2147338.038	2839070.7	2717668.877	2697186.944	1932112.737	2338179.569	2756097.749	9244492.845	9835243.848	6631077.485	6862641.422	6619962.556	5098446.555	3967736.156	5892571.676	5113178.729	5156557.809	1432034.692	10315383.68	6516340.782	4912381.358	6293801.988	18745375.54	13582207.35	25140566.31	28587600.16	20580629	6830592.375	7393245.43	9301019.004	12865978.17	6962058.633	5844451.735	9848906.36	7887661.192	5598007.312	8998923.191	11281208.71	9707578.293	6409087.38	14155495.74	6655479.497	10294953.13	8981590.895	7609944.864	6498185.514	7494758.07
Secobarbital	44865700.92	69344047.96	88957746.25	59584306.11	60153231.21	56501879.1	50070263.16	61594490.96	75516942	48832942.32	115619776.8	92523757.2	76747138.23	95014735.94	103846691.7	74402816.66	40213033.47	70245944.49	91588716.12	71205464.6	19915489.96	47986825.72	90532257.44	44771839.39	75265113.1	37409579.88	74827331.7	37149888.55	37823676.21	49579116.85	52944542.23	19789544.68	24029462.6	31255656.72	23500264.42	72837233.47	48903746.41	71153244.8	43829859.76	70202379.63	35731477.43	68661092.06	68674598.1	25900602.07	11720811.83	55818456.82	72989414.66	58564524.23	35342692.54	63033403.58	85788584.63	134111347.2	67348101.77	73737125.48	63988627.99	114032931	87113450.43	79826601.59	86501608.52	118049803.5	68185391.02	71648606.18	84864563.84	83243922.94	66649193.34	93280429.15	78732940.48	106283710	54867647.34	105399638.1	102270365.5	64698792.52	60613028.59	36988666.09	54882725.59	95759723.61	80718430.9	73254695.94	96010832.77	81343397.21
Secoisolariciresinol	3104946.593	1093516.306	1053381.219	736874.0689	551554.7118	1320529.879	995430.7685	1237319.036	1231257.602	1538640.066	1773488.753	1204296.997	2236705.162	1196081.343	1374444.103	1547240.967	1791401.531	1944041.855	2534403.969	1297355.711	6595774.75	1147271.33	1189391.009	1386456.309	1012885.181	10940246.73	8360931.933	7650029.305	6600718.237	7551237.408	11543825.13	5826400.52	9726728.434	10023655.29	6314535.354	1600977.332	9339313.187	8036754.774	7611912.326	1526223.486	6657893.263	8506389.42	7826196.538	9532486.642	8465281.151	9967289.579	8460942.528	7971355.176	7022605.512	7996456.293	1205384.876	2682078.288	922054.5254	973673.1033	976284.1247	2593638.396	1106726.973	978325.6589	1101239.394	2018873.341	2671146.637	1672320.827	1376584.906	1211620.457	1509991.686	1137563.713	1225742.284	1632674.683	1087521.105	1780169.924	2004408.709	1253857.462	1125630.559	2054537.512	940498.1592	1920551.512	1282289.616	2050059.73	2677063.194	1832712.351
Sorbitan laurate	1802500.823	4093619.725	2386551.349	2370389.113	2532101.651	2825330.347	36928732.24	6516126.089	14307317.28	5717328.527	2630637.778	2706547.718	2860369.237	2440852.752	2349780.728	2813457.854	1458142.497	1184884.534	1477783.54	1304615.756	374436291.6	152644729.8	46950251.41	162095055.7	48227815.32	15797683.21	11737459.15	7054446.595	13495557.87	8022866.599	7422144.5	1547680.868	3354190.581	3560216.531	3466252.757	1935639.5	2371117.464	1572890.178	1582907.929	1821321.973	48375347.34	34283631.45	2482755.604	52738505.17	52668884.18	3227717.695	12985624.98	58688037.23	5298843.865	58004557.89	2858245.459	13326976.12	5246293.758	4673209.469	4928677.1	3368371.321	4812492.685	4652458.094	3453180.616	3301993.29	5850255.087	7770825.833	7108492.137	5817836.942	5747910.676	2828638.77	2311084.894	7068140.556	1471151.199	7122086.987	1358390.13	1131801.469	2323829.845	4753726.329	2541385.791	2311548.728	4390031.058	3579528.653	2971277.046	3500054.566
Soyasaponin I	9896767.362	9650268.513	8118942.036	11047560.09	12048810.37	5992231.256	9887825.558	10576960.66	12535077.2	12031529.48	11687319.27	13158397.94	11496965.5	9763952.891	9480657.663	16390805.69	18252533.26	12201226.44	16089986.19	11341420.99	25728217.65	7676123.167	7449943.825	10446154.76	9169866.851	43731886.83	34975466.18	31450197.35	36285589.94	31792927.65	40593634.98	29988420.76	30455159.89	43498245.61	34774620.24	12222410.68	33291309.04	40054134.07	33692407.07	11215532.41	31783996.98	38141053.6	42532659.28	38181803.07	41374570.64	42921914.33	37753849.02	42463938.1	32433374.99	37765933.85	9601642.731	13967902.4	10047592.14	5730397.488	11003145.13	18068363.01	11219998.19	11607631.11	9808354.562	15171658.02	19079052.94	13966291.39	8878369.978	10055595.11	16398842.08	8427580.662	10936459.37	6350364.254	11305196.91	4192802.029	19092110.47	9006984.56	5682904.336	14463980.8	5535019.972	22899917.82	16029780.97	17610943.35	21313683.42	19432572.33
Spermidine	11393298.93	31117501.02	71136554.65	32673553.6	33528954.6	41548142.1	37217407.62	45853307.44	21364653.76	44275844.05	51791556.06	50327119.4	45629542.86	53684696.23	54774283.01	63050590.93	10265237.94	38185101.65	38734727.28	38559674.81	22238869.97	10827167.8	11226895.22	10911195.23	9922695.805	5729444.396	12452508.71	9838030.216	12944970.92	9469008.244	48038387.48	20947230.61	33540105.77	32930489	36791726.66	20219506.37	56539132.55	62529597.02	38118422.47	22994152.93	24836691.17	21375475.35	14076031.65	24329820.96	24165189.23	70381037.12	28057391.81	25853187.26	26650910.33	25331328.7	7057774.767	16566323.32	14436045.03	15785033.29	11883807.27	15596358.23	12934216.75	30462052.86	14242471.52	14593956.9	12839875.26	13082019.93	10876894.58	8495960.72	12524039.58	12269155.13	8898916.771	16364528.3	14955165.73	13887642.51	9473914.007	13175008.17	10984152.14	14264571.85	10667004.62	4837901.884	10740924.07	5412199.302	6354062.846	6598969.901
Sphinganine 1-phosphate	47250886.1	51191110.27	45634207.65	40531216.11	38594378.09	25483306.07	27784182.81	50287547.82	45996999.91	49672834.42	40879408.54	40578269.54	48327719.52	38931170.54	34639126.84	42077246.03	25272723.27	41564844.82	24502511.16	39317602.65	41573677.11	55443536.25	41971987.95	55066849.16	38242036.2	38509992.96	16152245.02	32595015.85	34929093.48	24946936.35	18005520.85	7198841.624	31686394.84	19474914	31468134.22	14882426.69	23677070.04	15528202.56	20717341.42	19485560.08	74668848.07	50936576.55	33421599.67	29599575.95	31496972.71	83465109.06	60643824.45	32521168.42	61365012.86	33648031.18	23949081.66	43023895.97	45301808.19	44418790.52	45535539.43	26861500.34	30446031.5	51601239.93	27996498.56	27417631.74	28272506.75	28508816.08	29773061.5	34680865.21	30109456.58	39416786.04	29803882.98	22098569.29	26802858.03	29367978.95	40282057.27	45197932.57	44019512.23	43121023.52	39974385.23	25710620.41	33219121.03	27992379.98	28205900.09	25103204.91
Sphingosine 1-phosphate	191979154.4	162870636.7	145023797.7	177848825.6	179546794.2	135574907.6	130143881.1	237797121.9	186325743.2	248218012.7	166872194.4	222339920.8	242784607.8	183303871.8	198174313.3	222051758.2	173989918.3	254547279.6	184237780.7	248524098.1	221701449.7	260303673.5	249865437.4	290806789.9	258683780.7	263080848	135301107.3	262907785.2	282629218.6	280420706.4	103214518.9	43570336.76	119372428.5	109349523.3	134569390.3	96989347.88	157240814.5	98785868.5	96871598.51	101221596.7	288900829.9	229268223.9	202320189.7	166600087.2	168398320.1	314014295.4	301886018.9	176506043.2	272602084	209121363.9	115954761.3	232868312.4	155809307.7	158264865.2	152669749.2	122380607.3	141420683.6	262675855.4	123240664	135828065.7	134252381.5	180373010.7	170508838.7	152594049	134492572.8	192058298.5	199506386	135633751.4	141231492.9	144720845.8	224077976.1	156555637	187608794.9	227644564.5	215054528.3	136485567.5	202906415.9	192479319.9	188054514	181612956.5
Stearoylcarnitine	14925581.24	18004024.94	37836899.15	25279478.05	26467583.18	19742750.06	36181459.53	41439599.07	74140438.72	44100541.6	13991595.61	17067117.03	14983285.08	10607761.56	16710173.74	14386148.98	9403920.785	15608678.96	10446261.4	16709270.38	54418501.71	33564302.14	21693179.47	32577873.69	18723171.01	67880045.18	29049558.34	17180368.09	23815338.4	19676770.85	6061435.844	4787935.05	13287573.98	7617667.06	14116619.46	8417434.716	32073664.09	16554236.48	13850555.1	8489764.967	24509888.14	13872068.82	13857787.74	8619407.819	8713580.604	19145760.65	19402139.97	9861730.014	19479668.87	10623896.88	19267946.28	14634708.21	38024156.29	34866875.96	47219053.72	46148254.89	18578986.21	17442054.05	48506447.22	51542941.75	34384403.75	64806774.15	65823330.8	24909375.77	34304286.34	70487336.5	17923185.2	43709261.04	19225911.06	50670856.84	25990130.16	27987202.8	30510238.07	14736056.63	29393794.21	7791518.712	16237427.74	14591947.43	12875648.23	13137357.69
Succinic acid	1061107732	2157368508	1524265177	1804194881	1664114485	718436724.3	2118387382	1619842896	1605470364	1603903014	212598481.4	600278404.5	450381838.7	734051019.1	549553496.1	429016690.3	525484705.2	973669341.4	476777155.2	980802416.2	406544149.2	238679933.9	354331232.9	247436592.9	375920915.6	843944253.7	346073548.4	523989269.7	483038407.8	650296588	117918348.2	51154565.72	63008384.3	51355901.44	61978186.92	78775375.68	148097264.5	202361842.5	82629085.1	77173779.97	1862698120	1599924915	659966717.1	1462224433	1367002009	1362766401	1216292244	1461994598	1502699569	1567510443	1226824928	2606874340	2360878901	2220060863	2332513414	3756570736	2782428038	3271556883	3953183910	3892223000	352025769.8	975876125	877987775.3	1482647085	332538694.4	994561882.6	1303750863	1567882539	2739250395	1541026627	1881725502	402842293.5	1334196100	1491778595	2207197375	649623430	2511045294	1028018177	1088187333	1062385980
Succinic anhydride	10211088.12	12567683.32	22693295.46	26368528.84	18931034.76	5826787.972	21128264.33	27947736.92	14643797.96	19980498.63	1039697.202	5125359.84	2671377.025	2817672.576	4054066.578	1282816.849	2939785.849	8478437.448	1912054.687	9514582.215	2122692.441	1344146.589	1411577.61	1109134.81	2368747.706	8422423.447	1830523.302	3638214.599	3386287.918	4416867.428	868433.4374	450788.0853	687426.2388	742534.7297	751536.3733	631872.9763	1223064.721	1646009.201	931132.1531	614640.0566	20622319.85	18729531.28	6455289.524	19627027.79	17127757.71	16016725.78	14945842.93	19953599.56	17982219.25	17311463.87	9848307.418	24457337.74	30981732.48	34470579.1	22212388.05	20399368.73	25293772.98	28226249.69	58040434.48	30290539.76	1361857.74	6329293.395	5191984.729	13096414.2	1355805.661	7149982.159	12863560.09	15307698.03	20199097.38	12995325.58	21104307	2149150.041	15684561.01	17032598.03	12873838.04	6531762.57	6174749.964	11198148.48	10892531.75	10850865.09
Sucrose	22924567.14	14216032.37	46579268.31	38815651.4	34101769.01	27029961.12	183568268.2	11651960	124143461.9	12641946.13	8578571.703	7318907.22	8643023.432	9535115.516	5555876.523	6216387.197	9963759.474	8022953.631	7533498.349	9267694.184	2274431.922	2643072.164	12641589.63	2728426.183	12085111.07	7093504.435	2696483.989	4441033.693	6694565.363	4932814.89	19769900.32	21179213.56	23239084.35	14995913.01	21637611.43	36415695.38	50603837.27	35709066.77	30299180.4	40377669.96	25245801.84	21319175.12	13838530.51	22038196.01	20585112.22	5506775.905	4123061.623	7262263.925	3453378.168	4988991.719	18183312.47	52578949.34	34705476.72	37393561.01	31742598.68	24990323.56	48725761.09	23870035.19	27473098.04	18870807.94	12756049.97	10666417.8	9255932.565	21525775.28	13000686.94	6028183.702	7687489.979	22208244.68	3813145.776	21638205.65	8810692.042	6301793.992	10182464.88	35212687.01	9863064.875	15166639.16	27154061.5	18576509.56	18703326.98	20411468.96
Sulfoglycolithocholate(2-)	4193395.191	2579961.559	2714216.509	5357020.991	5634434.174	2265844.623	4453010.948	6739650.326	2589088.837	6424165.279	1999390.946	2852225.799	4423934.635	4488542.532	5523181.622	6646060.117	8284662.283	4035545.393	1584289.84	633631.8726	4689906.623	4585786.955	14249150.25	3350730.031	17543905.64	11664207.83	13084150.49	5075914.567	10181081.33	6445290.426	3614368.131	4505838.638	7362751.355	6154375.852	3661784.068	4964945.509	7502879.085	2132796.814	6214288.364	3426960.305	10122463.98	10813184.98	4290322.133	11215919.78	6360948.757	16261261.87	10731277.19	35277997.25	6858817.907	41330132.84	3747563.144	2678463.456	2833748.786	2773802.121	3507644.072	6326474.715	4492663.657	4937662.259	5577157.204	5743137.438	9353878.365	4885048.416	2610057.456	3274824.011	9106239.535	2957908.665	3400537.898	2898218.051	2804642.368	2369775.821	4945327.539	2946316.589	3342905.523	9141364.721	3545969.714	5022644.519	1752512.594	3865209.438	6326643.037	4974011.318
Suprofen	3141019.734	1431389.403	2619914.45	10923184.57	12548478.17	2903271.07	1405699.131	11909835.14	6845212.569	5770761.573	3873577.397	5628398.005	5600173.176	2677839.322	4828547.728	4238631.909	3476854.589	5926442.128	5579505.614	5737660.781	2793324.678	2708368.399	3146906.456	3445638.91	3713420.54	10191680.52	5126494.356	6434156.469	3261805.302	4895850.17	3831102.685	617365.6805	2012817.737	3120082.641	2288241.872	4111168.362	3309834.378	3693646.126	6516275.011	4115302.403	12945929.72	8113724.443	3979808.805	4948182.697	5405486.037	16661949.17	9219076.425	17817939.01	18237054.03	18718867.08	1167951.306	4899752.799	7151979.752	7075160.936	4050739.321	4116862.41	8423407.647	3576274.481	3472471.5	2949239.536	3300653.586	3315246.064	3620741.249	5720689.659	2584801.872	4087812.022	8056076.906	6593214.012	1898323.603	8065437.188	3664594.725	2406675.531	3478770.542	7266752.442	3148909.24	3214791.771	6711054.033	4481684.554	5353579.584	2916691.99
Taurine	269433835.6	202674572.9	272558531.3	160925520.9	185791137	165864755.8	310668094.9	148584948	163528533.6	142468818.1	309585077.9	383033037.9	247173488.9	253074543.4	350052441.1	248301880.2	165297228.5	172567395.3	193727901.8	184584471.9	592396981.4	200729606.9	524373915.5	195072768.6	581171109.5	768339834.7	422450674.2	349421003.8	306232976.6	334471484	196974738.6	210813192.5	196597687.9	198725949.3	194087829.8	148779347.3	216907041.8	268161383.4	168636661.5	168005010.4	227135659.1	193506757.9	144747918.4	196485044.9	184769487	357618697.5	267750908.9	251829658.1	364346613.8	304800143.4	193914984.2	129861081.7	103824266.4	110062272.9	134247804.9	127114249	80442390.7	75145991.11	137913617.7	143506106.6	80282759.15	237334022.5	237345353.7	150861420.2	79250244.69	156703808.8	108676775.2	135018972.8	125390830.2	163102533.2	107574237.5	86071693.4	158382392.8	207837491.1	192642121.5	99266973.05	149095292.4	92262445.4	92909453.38	88485158.48
Tentoxin	17318920.7	22437813.58	28743320.01	20495397.97	20271093.42	20147490.15	19979171.12	26208233.31	31122084.12	25389025.35	39834440.78	31862325.88	31032428.62	27343069.7	27020704.83	25366893.66	13997601.78	24643179.67	34058300.87	26110338.28	8551046.599	17595702.83	25225026.67	19872043.99	25078043.01	13312575.27	25318408.07	17546937.83	14490483.59	18645658.11	15679523.82	7035378.999	8744827.895	12094642.35	8297578.274	16832078.59	14035532.74	21979849.84	16073762.58	20090333.79	13740801.48	20561471.16	18373333.95	10518573.33	10494348.02	19492257.92	27283152.59	20209234.33	12405063.93	20320960.94	29873618.19	43724043.37	25753409.78	28469110.08	22942253.72	43233728.92	30170853.85	31709913.71	32224713.18	37927903	23261563.61	20669287.25	29967597.62	26527571.62	20653373.26	33173409.28	30815331.92	35693478.94	22212638.42	30735928.05	28435823.3	22705853.25	21512645.71	17532366.31	22119207.26	30114503.87	24812446.74	27447827.51	35130209.52	26142508.43
Tetraacetylethylenediamine	3037331.909	2416801.748	3658170.44	5722887.795	5918309.397	4976396.456	5772611.813	7316780.442	4037471.118	6602734.739	1193481.434	1287952.265	1397484.547	1715367.624	1295071.04	2328983.61	2603442.264	3044436.891	2526225.296	3628031.976	962914.1898	842392.8868	2186020.897	894640.4029	2627737.197	1204633.515	784364.7012	1977795.115	1871545.884	2154834.529	1360934.61	843338.0258	1430194.419	864999.0763	646088.9319	2644142.717	2298135.829	1963653.16	2145330.81	2291730.025	4762187.938	3649511.672	4537560.068	5121165.242	6216932.145	2989708.389	3639338.834	3789697.04	2994218.18	2795922.018	2252977.652	3459050.847	1823380.862	1394162.068	1406662.797	4645690.517	6628481.159	8252519.61	4524812.623	4064352.8	1001753.183	1638629.462	2032646.483	3425965.128	1315658.264	3648788.835	2491777.756	4114750.204	2124828.989	5060146.771	2280163.018	1749185.922	3236628.28	2731757.9	3062686.196	1001810.781	1769949.125	1742642.09	1647011.527	1514998.396
Tetradecanedioic acid	11372943.6	30142786.12	34109615.87	20399053.69	24810443.58	8234242.11	21260214.04	41043503.7	19868299.12	40796571.5	11218177.37	12365986.02	16229504.37	12327786.18	14600388.36	8052505.523	5331831.531	7962541.732	5254623.604	7883760.919	398272950	219848019	114190657.1	227995393.3	94922305.52	56527948.47	68996101.67	26626696.3	38626094.53	22808502.11	13519314.59	10433938.31	14147457.13	11011165.08	13032010.31	7428037.18	6883696.309	9074849.276	6081157.139	6850796.943	17954179.13	17431078.8	9438390.658	16971214.84	19505981.79	16767980.32	29163064.47	41058987.26	18245293.64	34356100.09	30775911.59	35018317.27	61606409.75	56979988.98	56386568.1	47110560.46	15783862.17	22403554.88	50420339.51	44180705.92	45151599.36	100149355.8	82573991.84	33837880.47	54874738.62	37641547.49	15667024.61	28685197.92	11791880.83	32215014.91	15349183.9	16955605.95	31238279.1	24362482.32	33659938.78	10085807.08	14471306.62	16145500.19	19464169.82	16599592.61
Tetrahydrocortisol	29311712.1	22235512.97	40324385.72	31424220.8	29338989.71	58273.94505	2302002.978	172463.4274	493282.9826	1257207.798	4405520.828	8614988.508	5678722.727	4835657.839	8686315.665	95643.88788	42454.04044	45058.51939	43960.72723	54236.98597	24201445.39	21944023.32	9225002.068	26715727.55	10266532.16	1943771.522	76149.93989	937137.8483	2574646.009	1099343.132	9679693.362	9313164.753	6024433.367	6061491.549	5640774.874	61947.37196	76850.28017	74581.74135	83550.99519	58216.38148	18851356.9	21443765.31	13160695.99	25696984.55	28340872.21	1035319.836	5404692.762	9169435.976	2305758.73	9892757.776	15503663.69	17945044.73	27423829.05	25804755.25	24344407	1189840.96	90716.202	751179.9929	918188.514	429395.3865	25964761.53	32743055.37	24194084.15	16061553.86	21375589.75	280524.4265	90757.99232	145592.0398	44082.20358	184372.7132	18738449.74	26760768.83	7865216.086	9953849.137	7897245.474	50952.26579	97462.57975	149000.7956	126259.1611	128108.9403
Theophylline	11174951.6	8109468.199	7031657.86	10804320.55	10473237.99	7203635.114	20290286.16	9944459.447	15939102.98	9748475.357	3757271.146	2995314.155	4543146.514	3400829.074	2917972.775	5062779.381	5479415.89	8230636.382	4156286.735	7732318.132	9367792.682	5039954.182	10593579.49	5117511.926	10937077.3	15116480.07	11617270.54	13114132.89	12236124.47	13761389.13	4094804.57	2797393.284	4161913.543	3364777.395	4291346.511	4927154.291	5950217.862	4995646.78	6679599.465	5201502.678	15805457.35	21158733.68	12980513.3	33749661.45	34564012.49	5089162.11	5943517.351	12944778.13	6035775.595	12139219.73	3377181.552	17861477.37	10104142.52	10833325.26	10588433.76	10494973.73	12775103.28	17227780.91	10373938.4	10643277.35	7781750.39	6970855.357	8717699.494	10803510.76	7914738.114	7965083.4	7478775.718	7935682.716	3044270.646	8311416.538	6858244.715	8184743.687	5993222.709	6171932.298	7674516.629	4385268.825	4808926.556	7693112.548	7827494.572	8061137.135
Thiomorpholine 3-carboxylate	12335648.24	6784920.921	13771619.39	6157138.093	10593076.82	17156683.8	18325688.83	5693479.492	10132285.7	8735484.333	5604532.092	5256784.132	3924873.062	4175088.023	4887699.979	4653855.924	5874326.717	4510960.428	5966504.475	8970535.753	6400408.158	4988474.606	7366097.712	3668453.502	8359380.501	6849055.72	4446230.45	7797201.389	6151827.345	6892854.565	5251417.016	10914285.51	5622832.195	8344420.073	5736468.803	6297967.929	3481464.761	4289691.854	8523467.974	8658112.691	6527912.12	6917498.297	4583138.468	5445217.652	4477334.509	6051158.69	5258278.446	4903920.128	4195359.782	5423815.028	14010930.61	7235513.739	6218673.446	3870362.053	3235667.511	5707962.909	5684693.89	8171746.549	8419883.204	8817884.884	7481814.01	7005181.507	6157858.092	8610977.002	7542847.916	6973361.796	8163159.128	8590946.79	14752336.46	5521415.921	7472373.281	7870428.167	7766572.932	9528154.316	12826021.22	8375712.233	6177422.572	7896205.646	6583643.836	7130661.544
Threonic acid	138094826.8	118234294.8	171864129.3	226544700.7	225976248.7	313319842.6	369035357.9	423059667.5	194426826.5	371178337.4	81079027.98	65231888.36	84514286.73	98204299.48	70435286.32	113647276.9	126948404.1	109189464	106721508.6	125831829.5	242166026.1	134308706.8	181731846.4	138256510.8	178360125.6	292383010.6	186614525.4	147255517.9	146779107.2	153462173	91945112.7	81616351.96	97253304.3	76040025.72	103725963	175074952.9	162645429	160268260.2	144534035.6	161992020.7	175389540.2	166484629.9	131946639.5	177955498.9	183139570.6	141105824.1	110577774.4	147017005.6	162887717	138116181.9	132934250.2	185178611.3	156230881	172371690.6	150098934.6	402163287.1	336610289	287675470.5	360707560.5	381661612.2	86175151.37	132976139.7	122444417.2	124095593	90258242.61	184129847.1	216524996.4	137607057.3	153626960.4	138310528.9	97574190.68	103903005.2	111061681.2	135710679.7	103507478.9	145024567.7	267309433	183118821.9	173250245.7	187249969
Thymidine	18657375.37	21682786.76	23945704.16	22677869.88	21503369.54	8516388.064	17375387.46	9711342.97	18288103.85	10950220.49	17836618.31	24613285.04	24414742.66	22153283.11	26856521.24	9629199.255	8974396.364	14661063.58	16143860.74	15708860.31	10482273.9	9855533.621	10994456.9	11001932.27	10881374.41	12276676.95	13676830.49	14691636.47	14534596.94	26172300.31	13049947.37	15286821.18	14805401.81	14119480.76	15809854.07	14385585.17	18281279.96	17202442.04	14014608.37	15046461.21	19700197.1	18730310.69	16546474.07	21826457.4	24681411.62	16580691.29	20064258.31	19515515.05	17425757.39	20456354.11	37505252.39	33701433.53	29483138.59	35467895.93	32382951.28	27010617.04	22756811.92	41462197.65	30002243.46	28453441.38	19089285.01	29966740.09	28562951.25	22577162.2	18344051.47	32407870.72	16455717.53	21896505.96	23660519.41	20998355.06	29375604.82	28393185.71	21938587.48	30255656.7	22333374.44	9638409.698	10585390.78	9699280.778	9015367.23	9349429.428
Thymine	15848032.96	15978569.7	23272832.16	18058898.71	19080999.66	5902440.096	10408706.79	7859696.026	14783971.51	4364364.937	10163320.62	12287778.55	9411601.7	11070888.77	13602864.68	7424666.157	3173114.09	12462025.52	11492878.96	8101878.51	6456673.595	5276382.941	6392577.76	5854565.071	7349897.566	8118905.858	8361377.125	10598249.67	8462156.452	9077575.851	8254708.36	7797738.138	5947128.796	9186183.782	10582516.08	10223288.33	14428480.29	11940564.23	9699808.617	10470761.42	12499803.65	13354333.67	12339409.92	13819261.08	13490235.72	11482992.72	14393642.21	13118043.48	9422552.662	12781889.55	15617508.12	12268327.53	12343931.82	13091712.65	14072616.65	9938266.642	12931955.84	17274264.65	10682646.55	14455348.1	8278122.004	13450512.93	13713801.06	10099933.44	8257095.825	14660960.37	13186138.69	10022466.06	12232928.99	9939296.248	10216876.79	9760281.726	9275554.663	10929124.3	7678740.554	6141321.318	6333402.803	6888923.55	2609020.866	5446210.108
Tiglylcarnitine	531934.1461	1107595.77	1399848.205	1850541.722	1378121.144	2349834.938	5647034.583	9478136.652	3691669.07	9228165.782	419854.5594	767353.951	672463.8109	646593.7788	914828.5089	2924005.791	5218373.104	1998740.068	4673418.939	1872593.976	3085216.358	739359.2417	857663.7331	651568.6381	420562.3114	9173637.015	9565222.37	3181143.094	1964033.113	2911118.996	472758.1926	317524.2456	1345934.065	334064.863	1442991.739	1702674.5	2311743.555	2725008.879	4163328.058	1840186.359	1109554.802	1767098.416	5432066.891	2438510.04	2064851.037	6354424.977	3645681.094	1876910.11	1253761.274	1878841.733	791878.4469	834792.2238	2467293.799	2648755.367	3029914.988	2971810.923	4955646.074	7634172.02	2654375.622	2680014.665	1217264.598	2291574.219	2072614.27	1778168.179	1299143.241	7673871.324	5589031.545	2975139.091	2315912.876	3803906.557	897230.4871	1610872.622	1707532.85	1598625.306	1477321.311	3548727.903	3675274.413	3128037.134	2963880.775	3164673.503
Toloxatone 	6737188.385	10231772.23	12306563.1	17245030.76	18443594.04	38075625.36	54116103.76	99333794.22	27623338.68	102625325.2	6078742.478	6758973.987	26229088.68	16684465.77	6243759.757	53773271.91	179782435.7	120259826.9	136198047.5	118280158.9	17836837.35	13139168.9	45827650.46	13143694.46	48113319.1	37800118.67	10436455.54	33863997.43	33535571.16	33959620.22	3507428.963	2441701.718	7360928.317	4993351.399	7309282.153	25487192.11	18137801.8	22369189.36	14264804.92	25852864.55	97079995.26	115362823.3	49690802.83	145825764.1	154478575.1	32996835.86	77133549.87	103790665.7	94098840.66	102294022.1	5444666.46	53132406.7	36424689.18	39058854.95	38856805.92	33592162.97	91209107.51	55794459.45	36305332.47	32190518.59	12558715.4	9068160.126	7832535.163	5308856.688	12242781.25	13788366.62	42201386.37	51632323.58	21847889.94	55745414.2	4718410.445	3898116.804	12006627.3	25127295.98	12616342.02	51436133.15	58286879.46	31496456.39	31504909.81	33375992.5
Tranexamic Acid	11953352.73	9103113.437	13303551.54	7537351.763	9246247.011	6836576.063	21189027.95	15623052.94	32896198.61	14616744.08	11063920.16	17252941	20196093.53	18101261.34	16283455.46	21194497.92	23895337.74	22211982.37	21332294.17	17946835.17	2194147.829	3975624.475	3782067.405	3252895.014	3611202.279	3917833.744	4694761.291	4515692.234	3888954.528	5442292.741	1122592.218	2378212.229	1904499.925	2440972.914	2141634.196	2892289.162	818479.8169	1197230.517	1549374.275	2920738.714	2543573.187	2935301.668	3066984.222	3538120.939	3669651.784	7138583.743	6253067.718	4209073.043	5620497.068	4770391.331	8137802.738	10780557.98	17609306.77	20729855.56	18356493.99	13969000.99	17538327.14	23904065.02	14177349.77	14746040.61	21780919.6	19528110.32	18472945.43	20980416.39	18993551.6	3165033.389	3220338.158	5388850.965	4977586.219	5533707.413	13269281.49	12364139.81	11586433.35	9662363.314	11066076.96	2570263.767	183845.8883	3429098.401	3629373.422	3185406.158
trans-2-Dodecenoylcarnitine	7560772.44	6255875.617	13035532.83	4501415.669	4655011.593	1587663.508	451527.513	6738784.878	4472523.145	9223757.939	3763134.273	2421716.303	3960074.456	3357628.799	3010745.505	1667575.204	1078336.349	1106328.343	1594739.552	1067048.713	16442810.85	15361718.51	10454302.55	19507753.29	9545381.365	6148481.288	7722828.474	2614249.859	3387955.399	2864578.664	690648.8261	1577152.689	1465080.125	1033698.77	2499013.759	844422.3572	3905636.001	3617392.755	1852617.391	1364874.281	7384584.736	3940080.444	4593134.458	1514807.644	3012375.111	3940726.146	3808261.188	4750252.336	4526413.199	5025165.512	6905198.131	1339945.559	5190749.275	6180930.943	5260374.849	5602224.723	513590.9146	1598712.031	5113979.201	4997026.893	21407132.83	25294088.99	15872568.77	4639441.78	15062150.77	20791603.97	2974280.017	5373627.865	1403437.147	7643636.112	2982815.108	9931800.463	14375952.74	1479221.583	17888623.83	3430923.054	2967818.835	1501568.295	1386675.08	2224877.327
trans-Hexadec-2-enoyl carnitine	19632314.67	39672804.93	71565152.95	43920208.29	38018201.95	40292978.5	34388115.46	218130844.4	104622855	208463392.2	9079990.757	7655149.908	14154218.38	9566816.995	9438340.183	4816335.881	1984054.122	6999083.582	7530131.795	7510985.708	199161314.2	161417941.2	69022167.29	165600691.6	69689259.11	101310328.3	196490898.6	43888576.07	45058213.51	42576732.16	1538838.408	7143864.696	7831246.499	5158727.435	9432103.493	12894801.86	39845834.97	24927781.95	15488027.56	13604225.48	32019918.24	24937320.41	28135252.28	14817447.44	13869617.47	32812837.19	24039445.2	34112867.84	28559414.95	33737799.06	73900407.53	21818744.66	114630834.2	108455778.9	105770985	95427708.11	26733858.26	43212089.97	121780163.8	104798416.3	93172227.56	214929780.4	173847506.8	49780884.25	101763003.1	243085536.5	43693755.1	72567914.52	61960100.67	75311317.28	41079606.35	78804616.71	139062127.8	27141946.84	133850175.3	40933578.45	31231153.5	39944093.08	39481415.69	41818958.55
trans-Piceid	545155.3423	356618.3804	396046.5053	430469.2504	511662.3884	353535.043	588553.2617	477430.1795	557759.7482	625576.2447	315642.2855	401131.2799	419248.2274	436691.4827	428075.3693	750884.8157	582123.9008	384354.8024	694658.1609	357392.8462	1164417.803	339327.672	303758.7798	445102.7077	495310.8385	1850958.401	1514186.901	1215494.94	1456391.276	1182120.19	1451804.926	1167809.015	1270839.119	1933283.11	1342486.248	434532.8881	1352021.555	1326753.908	1534881.815	482036.9933	824497.994	1150024.364	1543715.697	1084121.684	1040032.722	1228326.982	2067369.842	1215891.999	854835.2293	1281919.048	653972.0207	720613.0156	430334.0171	272039.6201	371313.4557	771343.8448	693700.1033	475073.3029	509120.1619	985724.0798	762030.2098	516694.844	470608.5351	279721.4877	598496.6448	304870.1854	374721.6846	314036.3789	243869.4671	239812.6356	597871.7245	383580.5808	282926.4882	417611.3748	426497.9101	736850.5923	531799.5893	638051.9392	838989.7742	723549.8329
Traumatic acid	5310427.137	9323097.529	13012272.29	11478327.61	11405681.58	8597550.105	24396681.43	32105234.64	28596761.29	33470631.47	6666265.175	6508999.675	6086628.998	5335455.658	7080337.797	11570073.32	11374269.7	11017429.68	11623203.52	12296663.3	114543945.1	51167968.39	16243731.5	46785664.62	16668790.53	59732732.98	68007322.42	13626701.75	9159780.688	15273727.88	6866596.176	2369903.625	5245739.608	3627255.023	4400708.142	6815777.616	9216665.277	11852812.89	6922854.738	8101734.096	12892856.46	14479186.65	10251228.1	16677164.67	16841049.28	17340555.74	17639232.12	24102415.68	13415416.85	22985122.66	7811227.021	12224877.18	11180789.38	9897152.642	10453833.73	31601741.24	10509438.93	23553151.4	30771196.23	30055476.71	14487815.05	34522567.5	32720117.85	11005945.62	16776840.75	58183878.57	17074513.47	56917494.28	11510958.17	60405333.77	7442624.078	7584598.172	9414814.378	12115460.35	10114649.74	11750338.61	17384864.32	16306108.96	17375695.64	17402695.75
Traumatin	4429018.624	4302507.028	6658903.683	5167238.216	5872026.075	4721022.379	4261685.841	6552423.644	7192260.53	6490015.609	11490387.89	12705371.76	9267851.148	6968749.519	12692032.65	5266793.773	3532994.603	5536950.156	8212092.597	7733535.809	8230481.944	8823393.379	8126079.479	9669047.964	11267570.02	10054556.69	9075134.148	8595993.122	9146168.648	9284628.45	8947471.563	5369076.184	4357475.197	6113283.464	4677038.555	8910696.699	7438711.15	11430456.44	7648329.549	7771459.389	8422278.805	10965648.87	11731328.95	6964176.931	8859539.602	8872447.834	11829778.81	7823033.31	7089177.126	9389715.376	6446608.212	10891664.65	6115789.693	7191136.215	4635705.155	8329719.96	7321466.837	6458313.924	8070651.459	10277038.87	7261973.035	6086226.452	8018716.589	6501509.296	6373349.543	5273800.454	6127930.818	7720746.432	4394314.933	8269645.366	8097257.738	5996187.331	7308346.592	5179223.525	8647769.902	6449007.137	5833050.329	7173704.379	10308206.52	6654136.886
Tridecanedioic acid	4210203.054	6116989.16	6456038.819	5660778.101	6465262.63	3767720.006	7726428.101	6582395.753	8040994.437	7938610.311	6687043.725	5694042.001	9393148.848	5910214.404	6966165.25	8088666.756	5024237.448	7073428.057	6536889.61	6722116.257	19304357.91	11507257.98	8494906.808	12155586.86	8912402.239	11082588.16	14766779.71	11961604.76	11080242.52	12241864.34	7191861.959	4879879.514	5562262.042	5705323.258	6395281.076	7588762.417	8923286.596	14576361.14	8866707.668	8204042.272	6852019.434	5918165.97	5766751.697	6639287.205	5734715.294	11477228.75	10696619.73	8926228.872	9703493.137	8329381.124	7025316.75	8280720.208	7980279.755	7740015.783	7733247.799	10550656.84	7004133.432	8522968.688	8769308.875	10784116.05	10401020.78	10255348.45	9073967.816	6821208.673	7142918.212	6351739.63	7784292.853	7784136.875	6682836.537	9322023.682	7342461.124	6404906.904	6844778.323	6706924.953	7672587.027	6374512.76	8867539.167	7128052.234	7469493.81	9079631.408
Trifluoroacetic acid	414718677.6	408149131.4	424224830	400962111.9	398953396.3	479478612.7	437931677.8	409938485.3	388454095.5	385626045.3	459464705.1	440948260	379312434.1	452977300.6	443254410.8	447096289.7	438970031.1	399060044.4	467641637.6	423346093.9	440497942.7	425172640.1	448263456.4	423796937.5	433524794.4	446116200.1	438918181.4	432759605.5	444204798	438630626	441898460.7	478487817.7	436191191.1	426044779.4	427682964	405568162.2	418244269.8	419986478.3	414502595.9	417981098.3	423538551.1	421975442.7	408350573.3	415667870.6	438899765.5	417994900.2	424590759.2	420304347.2	438692996.3	439812559.9	407400795.8	395646098.7	395278869.5	398336575.1	398794830.8	431465877.8	412662004.2	402434560	385625177.2	401373202.4	446445568.2	417269982.2	444031671.6	428312716.4	444120819.9	438035309.3	445754689.5	445455251.5	460678826.6	443614072.4	431203670.3	443492962.1	427199142.6	439010269.1	428623658	423799753.1	434311151.3	424017141.7	428301791.3	428144411.1
Trimethadione	15863213.55	20432908.4	16091327.71	20611773.42	29773712.28	11531550.25	38965454.03	15900842.16	47409683.56	15544536.9	8557494.437	12910466.82	15389942.67	12441628.25	14192909.04	14979613.51	11419959.2	22316845.62	16777175.76	19223282.33	3730780.756	2755496.957	12382397.23	4140889.585	12499872.65	12665077.87	4751736.706	15219611.46	21682223.69	14019265.7	9657241.874	27375223.39	15404937.39	17831970.51	22250183.3	39170442.17	11910950.96	16026664.06	37981905.57	51265347.04	13944830.14	25022834.39	33134138.95	20439949.8	22403357.57	5867654.592	6283041.801	5797523.99	8032590.754	5128796.022	16399850.86	10463176.16	15413489.84	18482030.8	16418733.91	34063361.27	26713346.28	13978257.75	36574790.74	41652203.91	5902559.431	12644989.16	11429139.81	8358615.878	7797768.041	16024056.27	11527623.01	20798969.13	5689852.781	15201127.1	13219637.47	9298431.918	16889327.99	11222863.4	14607083.07	17364881.87	21961491.01	23143081.49	26307559.9	19396144.99
Troleandomycin	4700092.108	5855677.007	9151665.628	8552921.883	5115160.887	7743708.887	6338860.442	5882684.868	6877423.279	5137748.93	14719110.94	11335636.46	9265204.316	7377251.819	11271432.58	7381297.029	6722077.05	10019617.32	15637827.61	9502985.844	4975511.35	7599000.448	12857757.29	6133699.824	9147961.139	7627753.546	6608333.958	8776959.158	5561677.066	8322691.912	7607886.435	7072178.209	7704070.816	7714894.661	5517835.481	7827659.68	7293957.493	6048017.686	9200446.633	7732359.609	7357307.758	7400591.97	8526281.507	7489504.235	6404432.815	8762347.083	7574279.299	9706060.768	7351720.724	7439632.745	5294094.731	12193867.4	7174395.711	9797156.571	5260125.717	21589609.38	6397461.073	8477398.734	5590615.492	20574777.99	7427017.491	5624278.755	12482733.49	11763406.4	8843531.557	22352644.28	9514929.704	17861800.09	5467989.291	11998660.25	9910371.738	9998473.679	4139072.549	1429192.318	6611419.9	10479240.32	8722947.248	4305146.464	12443740.97	9481732.303
Tylvalosin	53621308.94	68743040.7	87858802.89	59739072.58	58327748.25	56667282.55	60135633.45	59463897.22	76311156.8	61959196.08	115855141.5	105003352.4	89437209.71	97693687.35	98959785.71	74073948.7	49582957.07	68523018.41	92673073.23	62968106.56	37102928.07	43613226.7	76885883.41	49173513.31	78766555.21	56666262.89	81090929.55	61002293.1	61286427	63639025.26	68479891.5	40359015	47799786.61	56667118.81	33812942.76	77175294.56	66964301.22	94316226.96	64746963.17	66020915.31	49976764.26	75936800.16	73034773.46	54134457.25	52505075.92	81333589.98	88755298.09	69809585.66	44427664.39	78089877.65	100249327.8	139793435.9	71031213.83	73052396.94	64943080.02	122594053.9	81445308.51	78731175.89	105950829.1	120446391.9	80671926.6	70227171.15	89701551.71	82199614.61	71383522.05	97907634.33	81721479.61	110882247.2	58781407.72	109965086.7	93154570.36	70017064.98	57567862.7	53041717.82	58498040.86	103248973.9	80770983.51	81263246.92	113846600.4	88034381.71
Uracil	29900301.19	34982843.17	51840083.91	72324956.69	61740504.65	95745650.54	53885967.61	66588997.82	40113182.94	63900116.35	29735241.87	32263935.28	34754520.14	39704888.86	39795417.54	29787515.94	29919803.43	57308679.82	36088315.29	33634270.12	24064745.57	21138020.69	38946540.6	19788544.32	43634229.03	92403979.58	38012510.73	29741123.57	37286137.71	43501014.16	24805873.97	17521494.45	25190531.08	16569581.28	24380847.31	29201836.47	23007777.58	29214172.8	38148027.91	29778816.79	94527337.68	77344655.46	43001637.28	59898439.52	62683738.17	112813104.9	39872706.8	81695893.11	111753726.5	90747830.48	67436800.22	57148632.45	50083228.28	49671232.68	59785888.77	83801871.42	91381960.57	57780022.13	58740530.19	70494618.71	41945295.32	32661141.94	29661711.47	73105174.23	44855517.21	37344551.44	58984384.89	91521352.69	50855583.66	72708931.65	45362451.96	29097236.58	34944955.52	67227011.04	30866802.2	63497246.11	62894225.28	47446965.72	49040885.44	45912408.3
Uric acid	588353315.8	1158596081	992606007.7	1092361695	992127758.1	768107595.1	1639215680	1198702111	992063041.5	1239525770	471322582.3	450452370.6	424312698.4	421769970.3	433571505.5	350706595.3	329944913.7	876086938.4	477638691.5	930607332.2	379348391.3	459102646.1	693978269.4	468255038.7	737707833.9	1283073917	562029532.5	625115563.8	628984708.6	685200192.9	362624718.1	224848312	338736465.3	303965664.4	355784868.8	320180712.3	242765347.5	392359373.3	353632990.5	304238904.5	1476249737	1152861740	598346415.7	1318201954	1296402828	1167600563	1704347689	1835645408	1437075568	1860232088	789313395.1	1606754327	1207706355	1194009005	1181441575	1627628615	1211777629	1517908181	1606944245	1607937580	570257440.1	841212557.8	792989289.3	1124486638	535759692.4	664180342.3	1097130431	751218789.5	893958841.5	736959285.9	937769766.7	429987517	645045130	878244462.9	664669734.9	518393428.3	709510910.5	866328908.2	964668021.1	890221690.7
Valeroidine	92852.25581	262426.3217	279901.1098	282825.5281	256543.9653	1802446.224	1321744.426	6400401.373	2816384.261	6510091.429	41067.28655	96257.65553	137850.2548	115855.7833	105323.1397	751653.0841	634539.4123	1881123.331	1302898.681	1861260.088	142531.1458	65986.97976	148182.96	56911.06811	169867.6336	1396925.704	612188.6739	672899.137	343364.2404	410380.3	58144.38486	57227.84224	75320.1156	51755.91639	153305.8789	530564.9433	210740.4613	650301.7412	425207.2674	399439.405	279677.9216	164298.4843	59048.51953	82377.86468	63817.19113	1917610.254	1516288.967	724886.2785	1281049.725	565193.2479	203779.9356	187627.186	382979.269	390939.4724	391046.1294	3323993.629	2075353.366	2355947.108	4177855.608	3488823.898	315818.7708	298438.2214	336748.4386	247488.978	283394.7806	1715391.89	1110656.754	2082155.929	458298.4719	2392903.049	213350.2445	145418.6985	192123.0543	106616.3103	206819.0088	1186365.667	1058514.535	1017923.205	850236.6874	891529.6204
Valine	1229710981	754610580	899456200.2	366792956.7	613646600.3	808867045.1	435841783.6	852240860.3	991585116.4	835107956.2	820837413.6	727811411.3	921837638.7	681423677.7	677599948.4	918687161	933855223.5	872796125	839347183	873121060.1	1243620262	663350523.1	708805212.3	759152200.2	740430945.9	1032886791	850299545.3	995414628.5	955182119.8	845724717.5	942798361.6	540104988.3	728280054.4	721507574.8	717322718.1	651576468.5	488131766	673637908.8	847963670.5	593504336.5	722992922.3	878124069.5	530308670.9	760323722.4	761628844.7	945078415	659071876.3	803352122.6	624532243.1	852853304.9	541727184.5	357867369.1	733695786.2	850857028.3	707588288.3	703213105.9	593511592.5	958734737.9	708882144.3	770256499.7	527564242.7	632736318.1	526540231.8	531058343.8	517562823.7	484774179.6	463013235.8	454341963.2	411429505.6	487438816.9	531596035	433436780.7	564457703.6	596656778.1	781864012.2	393294802.2	514129167.4	471824577.9	468210923.1	414697252.6
Vanillin	1695276.269	3198285.928	2557091.425	2814803.328	2573489.826	1446688.957	2117139.689	2613969.504	2653853.203	2715048.705	4255465.695	3979710.965	4793166.819	4597875.843	4557065.218	2168903.687	1204546.938	2591798.246	3070866.221	2105167.843	1911174.768	954599.2739	3190430.879	1368397.205	3564884.846	3841390.05	6600190.133	3499895.917	4637241.46	4571184.264	3420100.673	2335524.768	2047394.126	4034826.475	2233959.436	1959195.484	4203001.894	6304209.509	3490662.444	1762892.371	2562289.414	4836417.853	4617137.619	3968203.422	2459780.304	4076860.625	5963290.634	4729804.511	2281201.652	3431389.381	2903411.601	4224821.528	3757848.473	2505664.83	2624990.891	5484670.908	3335013.101	2608397.701	4437199.227	5093578.771	2829881.797	2154304.448	2464166.376	2365154.604	4893478.868	4176860.408	3747627.108	3638478.468	1548315.12	3337398.565	4699848.568	3092782.484	2426549.952	1636706.871	2506879.033	3757204.944	1940073.38	2939882.006	4560413.374	2430502.75
Vigabatrin	778204710	605147987.6	493051582.4	447047006	450239431.1	268101717.6	880289737.8	395505640.8	714592975.8	382749893.6	778755537.5	536771129.1	625646329.1	606895446	556886946.9	411855916.5	347850251.3	457039288.9	488914878.8	427214407.3	985867511.7	538475975.7	817966597.8	567299617	758328112	718381315.6	622578203.5	794070836	696377383.7	803024975.3	774354089.7	411965332.1	596547522.4	609252061	610418558.2	287870505.9	226794188	249273615.2	270000490.5	275549250.2	753113714.9	724768677.1	482804116	783988062.2	772364523.7	366468177.8	523014028.7	616683729.7	437276441.9	586568480.8	209072871.8	681529996.6	336633317.4	350885529.9	449459592.9	365393193.1	365849538.9	485703848.4	364974086.6	344130335.5	257942157.7	392385155.3	356471897.5	401050258.4	256028456.1	246287091.4	390032214	229526275.3	306484826.5	266194842.5	359836472.8	315096491.6	421963538.1	422249358.6	391873344.5	175970724.9	320695433.9	280544371.7	285701282.7	258318410.1
Westiellamide	8530765.217	20544228.94	33548685.16	12386716.33	15013401.95	17438839.83	14135192.89	14210640.15	21859915.71	11898913.39	39612190.35	27832346.37	19811976.65	28975775.28	27212628.93	22030038.37	6283010.515	16001502.04	23914092.14	17311330.71	11798156.46	10159162.84	24516996.19	9866719.754	20912542.3	25206979.25	34310067.01	31524268.41	15504996.77	29714342.33	24088249.44	13581292.17	15636203.64	22985848.44	14189338.87	18662042.43	24079973.6	38779299.6	29142887.26	19429905.4	16996379.65	32012887.25	30405588.69	20156226.66	21613821.52	33379513.4	30142067.98	33579554.66	20121503.47	34777400.07	22254749.68	43266682.82	20693742.91	17820459.62	17503548.74	32106085.93	18750198.03	22034850.2	21840532.85	32985133.46	16762300.08	17686925.84	25857284.99	23063280.59	15132292.35	23680700.27	28406140.43	30497903.24	15065390.14	28041083.3	27897212.4	19212839.46	10933271.83	9761076.07	8386172.57	25392426.14	15984713.01	16616093.97	31388523.91	19669236.06
Xanthine	1627184.863	217715888.6	119181530	161032724.3	164949185	89224751.91	102765201.8	137836689.6	46647598.16	153761595.9	118851574.1	387978577.1	166497858.3	194267667.5	333908306.5	15616435.08	1598812.053	102235911.6	4198308.137	111784760	1879778.476	1340256.972	137332869.8	1360276.663	147779089.8	28962288.1	1941718.639	18235068.71	39133133.07	17223574.69	87044025.02	76175569.5	110112255.9	101005404.1	100712887.3	20536170.87	149394035	76471995.59	69231808.8	22447382.34	262046108.4	139041997.7	1309289.329	82923345.47	68503698.43	467484253.8	268339357.9	133445544.3	431871258.2	115546950.7	77471564.92	355426349.6	102722118.5	120655916.1	118295253.9	226947000.7	241155748.6	369841028.9	196651750	177729643.6	1340004.512	1546785.209	1435372.478	303735870.7	1338748.623	1401232.62	192239671.9	18499143.07	363032913.9	19254621.84	90398384.4	1226287.277	137512248.8	220352173.2	128364336.3	1091326.542	12941813.12	2812278.154	2385771.077	2090196.825
Zeranol	23824202.84	28589814.13	47674618.47	25885340.56	25780697.74	25305525.23	22000025.12	29774372.7	31468194.14	28939170.83	47328583.3	46021588.88	43420323.5	51400088.92	56140986.53	32303790.05	29011913.48	23583261.14	42006210.96	28667111.26	16383871.08	20889336.54	39622590.38	18756189.24	37009063.32	34306765.7	43275494.17	32895985.38	26802689.38	33221694.34	31051768.53	16981599.96	21166237.49	28222865.23	20111366.43	34511744.14	30817060.77	45678064.64	28136132.64	34839938.82	26406742.44	33752076.43	37856206.54	22213676.77	24734561.17	37925627.19	43709092.46	33930577.36	17994184.46	32423244.04	50911789.59	54692272.76	31516032.74	39111687.56	22587271.91	46628946.25	44191371.37	33663393.49	41156350.51	44169667.89	37486634.88	32713825.69	41639703.39	36915876.08	33819712.44	52649230.13	41881754.86	54967277.13	23849478.46	56854052.63	44419431.77	26573915.68	21885687.84	28162721.09	17798987.14	45207753.43	32347816.41	35206548.14	47921966.49	33432696.55
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Human Metabolome Database	KEGG	InChIKey	Formula	Molecular Weight	RT [min]	mzCloud Best Match	mzCloud Library Match: Autoprocessed	mzCloud Library Match: Reference	MS2
Phenotype 1	1	1	1	1	1	1	1	1	1	1
Phenotype 2	2	2	2	2	2	2	2	2	2	2
Phenotype 3	3	3	3	3	3	3	3	3	3	3
(+)-Calycanthine	HMDB0029561	C10573	XSYCDVWYEVUDKQ-UHFFFAOYSA-N	C22 H26 N4	346.21418	11.236		No matches found	No matches found	No MS2
(±)-2,6-Dimethyl-5-heptenal	HMDB0031834		YGFGZTXGYTUXBA-UHFFFAOYSA-N	C6 H14 S2	150.05422	1.421		No matches found	No matches found	No MS2
(±)-2-Hydroxy-4-(methylthio)butanoic acid	HMDB0037115		ONFOSYPQQXJWGS-UHFFFAOYSA-N	C5 H10 O3 S	150.03491	5.43	86.9	No matches found	Single match found	DDA for preferred ion
(±)-Camphoric acid	HMDB0034491		LSPHULWDVZXLIL-UHFFFAOYSA-N	C10 H14 O4	198.08918	9.857	69.3	No matches found	Single match found	DDA for preferred ion
(±)-Furaneol	HMDB0040594		INAXVXBDKKUCGI-UHFFFAOYSA-N	C6 H8 O3	128.0473	6.948		No matches found	No matches found	No MS2
(2S)-2-[(2-Methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid			VUAFHZCUKUDDBC-SCSAIBSYSA-N	C7 H13 N O3 S2	223.03362	7.777		No matches found	No matches found	DDA for preferred ion
(R)-3-Hydroxy myristic acid			ATRNZOYKSNPPBF-CYBMUJFWSA-N	C14 H28 O3	244.20369	13.145	92.5	No matches found	Multiple matches found	DDA for preferred ion
(R)-3-hydroxybutyrylcarnitine	HMDB0062735		UEFRDQSMQXDWTO-YGPZHTELSA-N	C11 H21 N O5	247.14173	1.792		No matches found	No matches found	No MS2
(R)-3-Hydroxydecanoic acid	HMDB0010725		FYSSBMZUBSBFJL-SECBINFHSA-N	C10 H20 O3	188.14122	11.839	89.2	No matches found	Multiple matches found	DDA for preferred ion
(S)-10,16-Dihydroxyhexadecanoic acid	HMDB0037798	C08285	VJZBXAQGWLMYMS-UHFFFAOYSA-N	C16 H32 O4	288.23023	12.004		No matches found	No matches found	DDA for preferred ion
(S)-9-Hydroxy-10-undecenoic acid	HMDB0032662		CJUFNYIRKDOQMC-UHFFFAOYSA-N	C11 H20 O3	200.14127	11.968		No matches found	No matches found	No MS2
1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol	HMDB0041091		UEKHBUNMFZUBFK-UHFFFAOYSA-N	C22 H30 O7	406.19889	11.462		No matches found	No matches found	No MS2
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose	HMDB0034879		ZAWLGBRDVQURAK-UHFFFAOYSA-N	C12 H24 N2 O7	308.15807	0.753		No matches found	No matches found	No MS2
10-HDA			QHBZHVUGQROELI-SOFGYWHQSA-N	C10 H18 O3	186.12554	11.499	79.4	No matches found	Single match found	DDA for preferred ion
10-Nitrolinoleic acid	HMDB0005049	C13800 	LELVHAQTWXTCLY-XYWKCAQWSA-N	C18 H31 N O4	325.22536	13.733	77.9	No matches found	Single match found	DDA for preferred ion
11,12-Epoxyeicosatrienoic acid	HMDB0004673		DXOYQVHGIODESM-KROJNAHFSA-N	C20 H32 O3	320.23504	13.202	90.7	Multiple matches found	Multiple matches found	DDA for preferred ion
11-Aminoundecanoic acid		C19325	GUOSQNAUYHMCRU-UHFFFAOYSA-N	C11 H23 N O2	201.17281	1.633		No matches found	No matches found	No MS2
11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol	HMDB0062770		YOVRGSHRZRJTLZ-UHFFFAOYSA-N	C21 H28 O4	344.19881	11.838		No matches found	No matches found	No MS2
12(S)-HPETE	HMDB0004243		ZIOZYRSDNLNNNJ-LQWMCKPYSA-N	C20 H32 O4	318.21938	12.873	82.2	Multiple matches found	Multiple matches found	DDA for preferred ion
12(S)-Leukotriene B4	HMDB0005089	C04853 	VNYSSYRCGWBHLG-CBBLYLIKSA-N	C20 H32 O4	336.23025	12.105	74.3	Multiple matches found	Multiple matches found	DDA for preferred ion
12,13-DiHODE	HMDB0010201		RGRKFKRAFZJQMS-OOHFSOINSA-N	C18 H34 O4	314.24589	12.292	91.4	Multiple matches found	Multiple matches found	DDA for preferred ion
12-Hydroxydodecanoic acid	HMDB0002059	C08317	ZDHCZVWCTKTBRY-UHFFFAOYSA-N	C12 H24 O3	216.17237	12.375		No matches found	No matches found	DDA for preferred ion
12-Hydroxystearic acid	HMDB0061706		ULQISTXYYBZJSJ-UHFFFAOYSA-N	C18 H36 O3	300.26648	13.559		No matches found	No matches found	DDA for preferred ion
13-HODE	HMDB0004667		HNICUWMFWZBIFP-IRQZEAMPSA-N	C18 H32 O3	296.23494	13.445	79	Multiple matches found	Multiple matches found	DDA for preferred ion
16-Hydroxy hexadecanoic acid	HMDB0006294	C18218	UGAGPNKCDRTDHP-UHFFFAOYSA-N	C16 H32 O3	272.2353	13.9	83.8	No matches found	Single match found	DDA for preferred ion
19,20-DiHDPA	HMDB0010214		FFXKPSNQCPNORO-MBYQGORISA-N	C22 H34 O4	362.24591	12.436	88.7	Multiple matches found	Multiple matches found	DDA for preferred ion
1-Aminocyclopropanecarboxylic acid	HMDB0036458	C01234	PAJPWUMXBYXFCZ-UHFFFAOYSA-N	C4 H7 N O2	101.04744	0.909		No matches found	No matches found	No MS2
1-Arachidonoyl-sn-glycero-3-phosphocholine	HMDB0010395		LAXQYRRMGGEGOH-JXRLJXCWSA-N	C28 H50 N O7 P	543.33185	12.669		No matches found	No matches found	DDA for preferred ion
1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine	HMDB0011503		YVYMBNSKXOXSKW-HXUWFJFHSA-N	C21 H44 N O7 P	453.28588	12.898		No matches found	No matches found	DDA for preferred ion
1-Methylhistamine	HMDB0000898	C05127	FHQDWPCFSJMNCT-UHFFFAOYSA-N	C6 H11 N3	125.09525	0.73		No matches found	No matches found	No MS2
1-Octadecanoyl-sn-glycero-3-phosphoethanolamine	HMDB0011130		BBYWOYAFBUOUFP-JOCHJYFZSA-N	C23 H48 N O7 P	481.31658	12.577		No matches found	No matches found	DDA for preferred ion
2,2'-Iminodipropanol		D08906	WCYGORCMAJDYJN-UHFFFAOYSA-N	C6 H15 N O2	133.11022	0.872		No matches found	No matches found	No MS2
2,4,6-Octatriyn-1-ol	HMDB0030968		CDDRQTICNABTAT-UHFFFAOYSA-N	C8 H6 O	118.04173	0.965		No matches found	No matches found	DDA for preferred ion
2,6-Di-tert-butyl-1,4-benzenediol	HMDB0040178		JFGVTUJBHHZRAB-UHFFFAOYSA-N	C14 H22 O2	222.16194	10.716		No matches found	No matches found	No MS2
20-Hydroxyeicosatetraenoic acid	HMDB0005998	C14748 	NNDIXBJHNLFJJP-DTLRTWKJSA-N	C20 H32 O3	320.23503	13.508	77.5	Multiple matches found	Multiple matches found	DDA for preferred ion
2-Acetyl-4-methylpyridine	HMDB0037071		HRVQMQWVGKYDCF-UHFFFAOYSA-N	C8 H9 N O	135.0683	0.979		No matches found	No matches found	DDA for preferred ion
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin	HMDB0012143	C05252 	XWORXFNMQCQKKK-UHFFFAOYSA-N	C9 H15 N5 O8	321.09298	10.342		No matches found	No matches found	DDA for preferred ion
2-Dodecylbenzenesulfonic acid	HMDB0031031		WBIQQQGBSDOWNP-UHFFFAOYSA-N	C18 H30 O3 S	326.19063	10.132		No matches found	No matches found	No MS2
2-Ethyl-4,5-dimethylthiazole	HMDB0040068		BVOKJOZBJOWZNJ-UHFFFAOYSA-N	C7 H11 N O	125.08402	1.461		No matches found	No matches found	No MS2
2-Furoic acid	HMDB0000617	C01546	SMNDYUVBFMFKNZ-UHFFFAOYSA-N	C5 H4 O3	112.01596	1.533	80	No matches found	Single match found	DDA for preferred ion
2-Hexenoylcarnitine	HMDB0013161		JUAQYRSUSCWTQK-BQYQJAHWSA-N	C13 H23 N O4	257.16279	10.423		No matches found	No matches found	No MS2
2-Keto-6-acetamidocaproate	HMDB0012150	C05548	NGCXIFFZXAZRAF-UHFFFAOYSA-N	C8 H13 N O4	187.08431	1.415		No matches found	No matches found	No MS2
2-Ketobutyric acid	HMDB0000005	C00109 	TYEYBOSBBBHJIV-UHFFFAOYSA-N	C4 H6 O3	102.03161	0.957		No matches found	No matches found	DDA for other ion
2-Methyl-5-nitroaniline			DSBIJCMXAIKKKI-UHFFFAOYSA-N	C7 H8 N2 O2	152.0585	2.692	64.4	No matches found	Single match found	DDA for preferred ion
2-Octanamidoacetic acid	HMDB0000832		SAVLIIGUQOSOEP-UHFFFAOYSA-N	C10 H19 N O3	201.13647	10.953		No matches found	No matches found	DDA for preferred ion
2-Oxoglutaric acid	HMDB0000005	C00109 	TYEYBOSBBBHJIV-UHFFFAOYSA-N	C5 H6 O5	146.02145	1.424	96.1	No matches found	Single match found	DDA for preferred ion
2-tert-Butyl-1,4-benzenediol	HMDB0032062		BGNXCDMCOKJUMV-UHFFFAOYSA-N	C10 H14 O2	166.0993	8.851		No matches found	No matches found	No MS2
2-Tetrahydrothiopheneacetic acid		C11072	YNFYCBDMMKUYKX-UHFFFAOYSA-N	C6 H10 O2 S	146.03998	2.461		No matches found	No matches found	No MS2
3, 5-Tetradecadiencarnitine	HMDB0013331		IXOHTRSFILEKHO-NKBLVAAJSA-N	C21 H37 N O4	367.27199	11.362		No matches found	No matches found	No MS2
3,5-Dihydroxybenzoic acid	HMDB0013677		UYEMGAFJOZZIFP-UHFFFAOYSA-N	C7 H6 O4	154.02657	8.111	88.2	No matches found	Multiple matches found	DDA for preferred ion
3-Carboxy-4-methyl-5-propyl-2-furanpropionate			WMCQWXZMVIETAO-UHFFFAOYSA-L	C12 H16 O5	240.0998	11.232	90.9	No matches found	Single match found	DDA for preferred ion
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid	HMDB0127615		PTBDIHRZYDMNKB-UHFFFAOYSA-N	C5 H10 O4	134.05789	1.6	61.7	No matches found	Single match found	DDA for preferred ion
3-Hydroxymethylglutaric acid	HMDB0000355	C03761 	NPOAOTPXWNWTSH-UHFFFAOYSA-N	C6 H10 O5	162.05278	2.226	64.6	No matches found	Single match found	DDA for preferred ion
3-Hydroxysebacic acid	HMDB0000350		OQYZCCKCJQWHIE-UHFFFAOYSA-N	C10 H18 O5	218.11521	9.751		No matches found	No matches found	DDA for other ion
3-Hydroxytetradecanedioic acid	HMDB0000394		CEDZIURHISELSQ-UHFFFAOYSA-N	C14 H26 O5	274.17829	10.569		No matches found	No matches found	DDA for preferred ion
3-Hydroxytetradecanoyl carnitine	HMDB0061640		GFAZJTUXMHGTOC-UHFFFAOYSA-N	C21 H41 N O5	387.29814	11.324		No matches found	No matches found	No MS2
3-Mercaptohexyl butyrate	HMDB0038948		TZNJKOLXWHXDAF-UHFFFAOYSA-N	C10 H20 O2 S	204.11893	0.932		No matches found	No matches found	No MS2
3-Methylcyclohexanethiol	HMDB0031537		PWHHTYJQSMSOEC-UHFFFAOYSA-N	C7 H14 S	130.08217	1.421		No matches found	No matches found	No MS2
3-Oxotetradecanoic acid	HMDB0010730		XLKOZYOVXNPWGT-UHFFFAOYSA-N	C14 H26 O3	242.18822	12.827		No matches found	No matches found	DDA for preferred ion
3-Pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile			DGMSKRCMDSDQKR-UHFFFAOYSA-N	C12 H8 N2 S	212.04062	6.665	82.1	Single match found	Single match found	DDA for preferred ion
3-Tert-Butyladipic acid			LHSCNQRBIIDZCB-UHFFFAOYSA-N	C10 H18 O4	202.12051	10.534	89.6	No matches found	Single match found	DDA for preferred ion
4-Guanidinobutanoic acid	HMDB0003464	C01035	TUHVEAJXIMEOSA-UHFFFAOYSA-N	C5 H11 N3 O2	145.08504	1.436		No matches found	No matches found	No MS2
4-Hydroxy-5-methyl-3(2H)-thiophenone	HMDB0033548		GIVVLEIYPVKDNV-UHFFFAOYSA-N	C5 H6 O2 S	130.00882	0.978		No matches found	No matches found	No MS2
4-Hydroxybenzenesulfonic acid			FEPBITJSIHRMRT-UHFFFAOYSA-N	C6 H6 O4 S	173.99857	5.923	86.8	No matches found	Multiple matches found	DDA for preferred ion
4-Hydroxycinnamic acid	HMDB0002035	C00811	NGSWKAQJJWESNS-ZZXKWVIFSA-N	C9 H8 O3	164.0473	0.96		No matches found	No matches found	DDA for preferred ion
4-Indolecarbaldehyde			JFDDFGLNZWNJTK-UHFFFAOYSA-N	C9 H7 N O	145.05267	9.986	85.1	No matches found	Single match found	DDA for preferred ion
4-Methylene-L-glutamine		C01109	CEVQXWMPODOBRM-BYPYZUCNSA-N	C6 H10 N2 O3	158.06905	0.987		No matches found	No matches found	DDA for preferred ion
4-Oxo-L-proline		C01877	HFXAFXVXPMUQCQ-BYPYZUCNSA-N	C5 H7 N O3	129.04257	1.623	95.7	No matches found	Single match found	DDA for preferred ion
4-Trimethylammoniobutanoic acid	HMDB0001161	C01181	JHPNVNIEXXLNTR-UHFFFAOYSA-N	C7 H15 N O2	145.11021	0.92		No matches found	No matches found	No MS2
4-Vinylphenol sulfate	HMDB0062775		IETVQHUKTKKBFF-UHFFFAOYSA-N	C8 H8 O4 S	200.01428	10.027		No matches found	No matches found	DDA for preferred ion
5-[4-hydroxy-3-(sulfooxy)phenyl]pentanoic acid	HMDB0127760		OUPGXCOAIUBOQD-UHFFFAOYSA-N	C11 H14 O7 S	290.04631	8.47		No matches found	No matches found	No MS2
5-Sulfosalicylic acid	HMDB0011725	C16199	YCPXWRQRBFJBPZ-UHFFFAOYSA-N	C7 H6 O6 S	217.98766	5.301		No matches found	No matches found	No MS2
6-Hydroxypseudooxynicotine	HMDB0240264	C01297 	UMLOUOBDBGOHHR-UHFFFAOYSA-N	C10 H14 N2 O2	194.10505	10.926		No matches found	No matches found	No MS2
9(S)-HPODE	HMDB0006940	C14827 	JGUNZIWGNMQSBM-ZJHFMPGASA-N	C18 H32 O4	312.23025	12.856	67	Single match found	Single match found	DDA for preferred ion
A-12(13)-EpODE	HMDB0010200		BKKGUKSHPCTUGE-OOHFSOINSA-N	C18 H30 O3	294.21953	12.738		No matches found	No matches found	No MS2
Acetyl tributyl citrate	HMDB0034159	C00777	QZCLKYGREBVARF-UHFFFAOYSA-N	C20 H34 O8	402.2257	11.027		No matches found	No matches found	No MS2
Acetylglycine	HMDB0000532		OKJIRPAQVSHGFK-UHFFFAOYSA-N	C4 H7 N O3	117.0425	0.932		No matches found	No matches found	DDA for preferred ion
Adenosine monophosphate	HMDB0000045	C00020 	UDMBCSSLTHHNCD-KQYNXXCUSA-N	C10 H14 N5 O7 P	347.06286	1.424	93.9	No matches found	Multiple matches found	DDA for preferred ion
Alanylglycine	HMDB0006899		CXISPYVYMQWFLE-VKHMYHEASA-N	C5 H10 N2 O3	146.06907	1.088		No matches found	No matches found	DDA for preferred ion
Allantoin	HMDB0000462	C01551 	POJWUDADGALRAB-UHFFFAOYSA-N	C4 H6 N4 O3	158.04388	0.921		No matches found	No matches found	DDA for preferred ion
all-trans-Retinoic acid	HMDB0001852	C00777	SHGAZHPCJJPHSC-YCNIQYBTSA-N	C20 H28 O2	300.20945	12.469		No matches found	No matches found	No MS2
Amidosulfonic acid	HMDB0034830		IIACRCGMVDHOTQ-UHFFFAOYSA-N	H3 N O3 S	96.9834	0.73		No matches found	No matches found	DDA for other ion
Anethole	HMDB0030837		RUVINXPYWBROJD-ARJAWSKDSA-N	C10 H12 O	148.08882	10.96		No matches found	No matches found	No MS2
Artemether	HMDB0015643		SXYIRMFQILZOAM-HVNFFKDJSA-N	C16 H26 O5	298.17818	10.927		No matches found	No matches found	No MS2
Ascorbic acid	HMDB0000044	C01041 	CIWBSHSKHKDKBQ-JLAZNSOCSA-N	C6 H8 O6	176.03202	1.402	89.3	No matches found	Single match found	DDA for preferred ion
Ascorbic acid 2-sulfate	HMDB0060649		XDBMXUKHMOFBPJ-ZAFYKAAXSA-N	C6 H8 O9 S	255.98905	0.938	88.3	No matches found	Single match found	DDA for preferred ion
Aspartyl-L-proline	HMDB0002335		UKGGPJNBONZZCM-WDSKDSINSA-N	C9 H14 N2 O5	230.09009	1.437		No matches found	No matches found	No MS2
Astilbin	HMDB0033850	C17449 	ZROGCCBNZBKLEL-MPRHSVQHSA-N	C21 H22 O11	450.11668	10.167		No matches found	No matches found	No MS2
Avocadene 1-acetate	HMDB0031043		NLBYRERHXBTBBR-UHFFFAOYSA-N	C6 H4 O5	156.00583	1.53		No matches found	No matches found	No MS2
Azelnidipine		D01145	ZKFQEACEUNWPMT-UHFFFAOYSA-N	C33 H34 N4 O6	582.24788	16.69		No matches found	No matches found	DDA for preferred ion
Bevenopran		D10349	ZGCYVRNZWGUXNQ-UHFFFAOYSA-N	C20 H26 N4 O4	386.19422	10.067		No matches found	No matches found	DDA for preferred ion
Bilirubin	HMDB0000054	C00486	BPYKTIZUTYGOLE-IFADSCNNSA-N	C33 H36 N4 O6	584.26274	16.685	82.4	No matches found	Single match found	DDA for preferred ion
Bisoprolol	HMDB0014750	C06852 	VHYCDWMUTMEGQY-UHFFFAOYSA-N	C18 H31 N O4	325.2249	10.747		No matches found	No matches found	No MS2
Butopyronoxyl			OKIJSNGRQAOIGZ-UHFFFAOYSA-N	C12 H18 O4	226.12053	10.852		No matches found	No matches found	DDA for preferred ion
Cascarillin	HMDB0036836	C09071	ZOWKQQIGQBVKSV-UHFFFAOYSA-N	C22 H32 O7	408.21457	11.317		No matches found	No matches found	No MS2
Cedefingol		D03419	CRJGESKKUOMBCT-PMACEKPBSA-N	C20 H41 N O3	343.30818	12.251		No matches found	No matches found	No MS2
Chenodeoxycholic acid	HMDB0000518	C02528	RUDATBOHQWOJDD-BSWAIDMHSA-N	C24 H40 O4	438.29841	11.831	83.2	Multiple matches found	No matches found	DDA for preferred ion
Chlorpromazine	HMDB0014620	C06906	ZPEIMTDSQAKGNT-UHFFFAOYSA-N	C17 H19 Cl N2 S	318.09555	10.888	93.3	No matches found	Multiple matches found	DDA for preferred ion
Cholic acid	HMDB0000619	C00695 	BHQCQFFYRZLCQQ-OELDTZBJSA-N	C24 H40 O5	408.28784	11.728	91	Single match found	Multiple matches found	DDA for preferred ion
Choline	HMDB0000097	C00114	OEYIOHPDSNJKLS-UHFFFAOYSA-N	C5 H13 N O	103.09959	0.868	88	No matches found	Single match found	DDA for preferred ion
Ciclesonide	HMDB0015480		LUKZNWIVRBCLON-FOMURGDPSA-N	C32 H44 O7	540.30929	12.319		No matches found	No matches found	No MS2
CID 12910457			GYHHZMUNWLCUAH-UHFFFAOYSA-N	C12 H9 N S	199.04542	10.644		No matches found	No matches found	DDA for preferred ion
CID 134693179			KYBOHGVERHWSSV-QSBRPZMVSA-N	C23 H38 O5	394.27231	11.288		No matches found	No matches found	DDA for preferred ion
Cinnamoylglycine	HMDB0011621		YAADMLWHGMUGQL-VOTSOKGWSA-N	C11 H11 N O3	205.0738	9.989	90.3	Single match found	Multiple matches found	DDA for preferred ion
cis-4-Decenedioic acid	HMDB0000603		CXGDCGIPEJKSCK-IWQZZHSRSA-N	C10 H16 O4	200.10486	10.346		No matches found	No matches found	DDA for preferred ion
cis-5-Tetradecenoylcarnitine	HMDB0002014		NNCBVXBBLABOCB-SEYXRHQNSA-N	C21 H39 N O4	369.28765	11.604		No matches found	No matches found	DDA for preferred ion
Citric acid	HMDB0000094	C00158	KRKNYBCHXYNGOX-UHFFFAOYSA-N	C6 H8 O7	192.02698	1.526	96.7	Single match found	Multiple matches found	DDA for preferred ion
Citrulline	HMDB0000904	C00327 	RHGKLRLOHDJJDR-UHFFFAOYSA-N	C6 H13 N3 O3	175.09564	0.888		No matches found	No matches found	DDA for other ion
Clozapine	HMDB0014507	C06924	QZUDBNBUXVUHMW-UHFFFAOYSA-N	C18 H19 Cl N4	326.1295	10.063	89.1	No matches found	Single match found	DDA for preferred ion
Clozapine N-oxide	HMDB0060900		OGUCZBIQSYYWEF-UHFFFAOYSA-N	C18 H19 Cl N4 O	342.12438	10.24	92.7	No matches found	Single match found	DDA for preferred ion
Creatine	HMDB0000064	C00300	CVSVTCORWBXHQV-UHFFFAOYSA-N	C4 H9 N3 O2	131.06938	0.918	92.2	No matches found	Single match found	DDA for preferred ion
Creatinine	HMDB0000562	C00791	DDRJAANPRJIHGJ-UHFFFAOYSA-N	C4 H7 N3 O	113.05884	0.886		No matches found	No matches found	No MS2
Cytosine	HMDB0000630	C00380	OPTASPLRGRRNAP-UHFFFAOYSA-N	C4 H5 N3 O	111.04352	1.419		No matches found	No matches found	No MS2
D-​Xylonic acid	HMDB0059750	C00502 	QXKAIJAYHKCRRA-FLRLBIABSA-N	C5 H10 O6	166.04766	0.91		No matches found	No matches found	DDA for preferred ion
dacisteine			HSPYGHDTVQJUDE-LURJTMIESA-N	C7 H11 N O4 S	205.04069	1.79		No matches found	No matches found	DDA for preferred ion
Daidzein	HMDB0003312	C10208 	ZQSIJRDFPHDXIC-UHFFFAOYSA-N	C15 H10 O4	254.05791	10.471	84	No matches found	Multiple matches found	DDA for preferred ion
Deoxyuridine	HMDB0000012	C00526	MXHRCPNRJAMMIM-SHYZEUOFSA-N	C9 H12 N2 O5	228.07484	2.611		No matches found	No matches found	DDA for other ion
D-Glucuronic acid	HMDB0000127	C00191 	AEMOLEFTQBMNLQ-WAXACMCWSA-N	C6 H10 O7	194.04261	0.892		No matches found	No matches found	No MS2
DIBOA-Glc	HMDB0033734		OUSLYTBGQGKTME-UHFFFAOYSA-N	C14 H17 N O9	343.09056	7.255		No matches found	No matches found	No MS2
Dibutyl malate	HMDB0031696		PDSCSYLDRHAHOX-UHFFFAOYSA-N	C12 H22 O5	246.14664	10.358		No matches found	No matches found	No MS2
Dibutyl phthalate	HMDB0033244	C14214	DOIRQSBPFJWKBE-UHFFFAOYSA-N	C16 H22 O4	278.15183	12.117		No matches found	No matches found	DDA for preferred ion
Diethyl pyrocarbonate	HMDB0032873	C11592	FFYPMLJYZAEMQB-UHFFFAOYSA-N	C6 H10 O5	162.05266	0.905		No matches found	No matches found	DDA for preferred ion
Dihexyverine		D07821	MNSQDVCVWNXBFQ-UHFFFAOYSA-N	C20 H35 N O2	321.26631	13.334		No matches found	No matches found	No MS2
Dihydromethysticin	HMDB0030791	C09926	RSIWXFIBHXYNFM-UHFFFAOYSA-N	C15 H16 O5	276.10008	10.741		No matches found	No matches found	No MS2
Dihydroroseoside	HMDB0040614		QFTPTUOKFIIFJH-AATRIKPKSA-N	C19 H32 O8	388.21003	10.481	60.2	No matches found	Single match found	DDA for preferred ion
Diphenol glucuronide	HMDB0059998		ICPYZFZFSLTYID-GPTQDWHKSA-N	C12 H14 O8	286.06902	2.008		No matches found	No matches found	No MS2
DL-Glutamate	HMDB0060475	C00302	WHUUTDBJXJRKMK-UHFFFAOYSA-N	C5 H9 N O4	147.05305	1.403		No matches found	No matches found	No MS2
D-Mannose	HMDB0000169	C00936 	WQZGKKKJIJFFOK-PQMKYFCFSA-N	C6 H12 O6	180.06346	0.893	90.1	Multiple matches found	Multiple matches found	DDA for preferred ion
Docosahexaenoic acid	HMDB0002183	C06429 	MBMBGCFOFBJSGT-KUBAVDMBSA-N	C22 H32 O2	328.24034	14.245	89.5	Single match found	Single match found	DDA for preferred ion
Dodecanedioic acid	HMDB0000623	C02678	TVIDDXQYHWJXFK-UHFFFAOYSA-N	C12 H22 O4	230.1517	11.235	91.8	No matches found	Single match found	DDA for preferred ion
Dolichol phosphate	HMDB0006353	C00110 	DZHSRPJGCZHWOM-NTEUORMPSA-N	C25 H45 O4 P	440.30388	12.409		No matches found	No matches found	No MS2
D-Phenyllactic acid	HMDB0000563		VOXXWSYKYCBWHO-UHFFFAOYSA-N	C9 H10 O3	166.06286	9.223	92.7	No matches found	Multiple matches found	DDA for preferred ion
D-Proline	HMDB0003411	C00763 	ONIBWKKTOPOVIA-SCSAIBSYSA-N	C5 H9 N O2	115.06326	0.932	92.9	No matches found	Multiple matches found	DDA for preferred ion
Ecgonine	HMDB0006548	C10858	PHMBVCPLDPDESM-RLXKETGRSA-N	C9 H15 N O3	185.10514	9.896		No matches found	No matches found	DDA for preferred ion
Ectoine	HMDB0240650	C06231 	WQXNXVUDBPYKBA-YFKPBYRVSA-N	C6 H10 N2 O2	142.0742	0.935		Single match found	No matches found	DDA for other ion
Enviradene		D04010	BFPYUXIFGJJYHU-AYSLTRBKSA-N	C19 H21 N3 O2 S	355.13496	9.531		No matches found	No matches found	DDA for preferred ion
Ethyl glucuronide	HMDB0010325		IWJBVMJWSPZNJH-UQGZVRACSA-N	C8 H14 O7	222.07386	5.165		No matches found	No matches found	DDA for preferred ion
Ethyl vanillin isobutyrate	HMDB0037683		BTCQMCOBMIXUCG-UHFFFAOYSA-N	C13 H16 O4	236.10481	10.822		No matches found	No matches found	No MS2
Fagomine	HMDB0033453	C10144 	YZNNBIPIQWYLDM-HSUXUTPPSA-N	C6 H13 N O3	147.08954	1.421		No matches found	No matches found	DDA for other ion
Fenethazine	HMDB0240228		PFAXACNYGZVKMX-UHFFFAOYSA-N	C16 H18 N2 S	270.11882	10.414		No matches found	No matches found	DDA for preferred ion
Floionolic acid	HMDB0034295	C19621 	OISFHODBOQNZAG-UHFFFAOYSA-N	C18 H36 O5	332.25662	11.001		No matches found	No matches found	No MS2
Formiminoglutamic acid	HMDB0000854	C00439	NRXIKWMTVXPVEF-BYPYZUCNSA-N	C6 H10 N2 O4	174.06398	1.585		No matches found	No matches found	DDA for preferred ion
Fumaric acid	HMDB0000134	C00122	VZCYOOQTPOCHFL-OWOJBTEDSA-N	C4 H4 O4	116.01088	1.803	93.3	No matches found	Multiple matches found	DDA for preferred ion
Galactitol	HMDB0000107	C01697	FBPFZTCFMRRESA-UHFFFAOYSA-N	C6 H14 O6	182.07882	0.89		No matches found	No matches found	DDA for preferred ion
Genistein	HMDB0003217	C06563	TZBJGXHYKVUXJN-UHFFFAOYSA-N	C15 H10 O5	270.05303	10.965	76.4	Single match found	Multiple matches found	DDA for preferred ion
Gluconic acid	HMDB0000625	C00257	RGHNJXZEOKUKBD-SQOUGZDYSA-N	C6 H12 O7	196.05826	0.888	70.6	No matches found	Multiple matches found	DDA for preferred ion
Glu-Gly	HMDB0028819		LSPKYLAFTPBWIL-BYPYZUCNSA-N	C7 H12 N2 O5	204.07446	0.92		No matches found	No matches found	No MS2
Glutamylglutamic acid	HMDB0028818	C01425 	KOSRFJWDECSPRO-WDSKDSINSA-N	C10 H16 N2 O7	276.09553	1.403		No matches found	No matches found	No MS2
Glutamylmethionine	HMDB0028825		SXGAGTVDWKQYCX-BQBZGAKWSA-N	C10 H18 N2 O5 S	278.09351	4.012		No matches found	No matches found	DDA for preferred ion
Glutamylserine	HMDB0028828		UQHGAYSULGRWRG-WHFBIAKZSA-N	C8 H14 N2 O6	234.08527	0.935		No matches found	No matches found	DDA for other ion
Glutamylthreonine	HMDB0028829		JSIQVRIXMINMTA-ZDLURKLDSA-N	C9 H16 N2 O6	248.10059	1.351		No matches found	No matches found	No MS2
Glutaric acid	HMDB0000661	C00489	JFCQEDHGNNZCLN-UHFFFAOYSA-N	C5 H8 O4	132.04246	1.426		No matches found	No matches found	No MS2
Glycerol	HMDB0000131	C00116	PEDCQBHIVMGVHV-UHFFFAOYSA-N	C3 H8 O3	92.04727	0.938		No matches found	No matches found	DDA for other ion
Glycerol tributanoate	HMDB0031094	C13870	UYXTWWCETRIEDR-UHFFFAOYSA-N	C15 H26 O6	302.17304	10.325		No matches found	No matches found	No MS2
Glycocholic acid	HMDB0000138	C01921 	RFDAIACWWDREDC-FRVQLJSFSA-N	C26 H43 N O6	465.30898	11.711		No matches found	No matches found	No MS2
Glycyl-L-leucine	HMDB0000759	C02155	DKEXFJVMVGETOO-LURJTMIESA-N	C8 H16 N2 O3	188.11601	1.426		No matches found	No matches found	No MS2
Glycylproline	HMDB0000721		KZNQNBZMBZJQJO-YFKPBYRVSA-N	C7 H12 N2 O3	172.08473	1.422		No matches found	No matches found	No MS2
Hexadecanedioic acid	HMDB0000672	C19615	QQHJDPROMQRDLA-UHFFFAOYSA-N	C16 H30 O4	286.21451	12.576	95.7	Single match found	Single match found	DDA for preferred ion
Hexanamide			ALBYIUDWACNRRB-UHFFFAOYSA-N	C6 H13 N O	115.09964	0.918		No matches found	No matches found	No MS2
Hexanoylglycine	HMDB0000701		UPCKIPHSXMXJOX-UHFFFAOYSA-N	C8 H15 N O3	173.10518	9.391	91.3	No matches found	Single match found	DDA for preferred ion
Hippuric acid	HMDB0000714	C01586	QIAFMBKCNZACKA-UHFFFAOYSA-N	C9 H9 N O3	179.0582	7.288	88.4	No matches found	Multiple matches found	DDA for preferred ion
Histamine	HMDB0000870	C00388 	NTYJJOPFIAHURM-UHFFFAOYSA-N	C5 H9 N3	111.07952	0.736	94.4	No matches found	Single match found	DDA for preferred ion
Hypoxanthine	HMDB0000157	C00262	FDGQSTZJBFJUBT-UHFFFAOYSA-N	C5 H4 N4 O	136.03842	0.956	95.5	No matches found	Multiple matches found	DDA for preferred ion
Indole	HMDB0000738	C00463	SIKJAQJRHWYJAI-UHFFFAOYSA-N	C8 H7 N	117.05774	7.29		No matches found	No matches found	DDA for preferred ion
Indoleacrylic acid	HMDB0000734		PLVPPLCLBIEYEA-AATRIKPKSA-N	C11 H9 N O2	187.06323	9.745	88.4	No matches found	Multiple matches found	DDA for preferred ion
Indolelactic acid	HMDB0000671	C02043	XGILAAMKEQUXLS-JTQLQIEISA-N	C11 H11 N O3	205.07378	9.693	91.6	No matches found	Multiple matches found	DDA for preferred ion
Indoxyl sulfate	HMDB0000682		BXFFHSIDQOFMLE-UHFFFAOYSA-N	C8 H7 N O4 S	213.00958	6.979	93.9	No matches found	Multiple matches found	DDA for preferred ion
Isobutyrylglycine	HMDB0000730		DCICDMMXFIELDF-UHFFFAOYSA-N	C6 H11 N O3	145.07382	4.13	88.4	No matches found	Single match found	DDA for preferred ion
Itaconic acid	HMDB0002092	C00490	LVHBHZANLOWSRM-UHFFFAOYSA-N	C5 H6 O4	130.02654	0.94		No matches found	No matches found	DDA for preferred ion
Kyotorphin	HMDB0005768	C02993	JXNRXNCCROJZFB-RYUDHWBXSA-N	C15 H23 N5 O4	337.1733	8.263		No matches found	No matches found	No MS2
L-Acetylcarnitine	HMDB0000201	C02571 	RDHQFKQIGNGIED-MRVPVSSYSA-N	C9 H17 N O4	203.11564	1.423	95.4	No matches found	Single match found	DDA for preferred ion
L-Arginine	HMDB0000517	C00062 	ODKSFYDXXFIFQN-UHFFFAOYSA-N	C6 H14 N4 O2	174.11162	0.867	96.2	Single match found	Multiple matches found	DDA for preferred ion
L-Asparagine	HMDB0000168	C00152	DCXYFEDJOCDNAF-REOHCLBHSA-N	C4 H8 N2 O3	132.05342	0.932		No matches found	No matches found	DDA for preferred ion
L-Carnitine	HMDB0000062		PHIQHXFUZVPYII-ZCFIWIBFSA-N	C7 H15 N O3	161.10506	0.886	96.1	No matches found	Multiple matches found	DDA for preferred ion
Leucyl-Glutamate	HMDB0028928		NFNVDJGXRFEYTK-UHFFFAOYSA-N	C11 H20 N2 O5	260.13706	5.911		No matches found	No matches found	DDA for preferred ion
Leucylproline	HMDB0011175		VTJUNIYRYIAIHF-IUCAKERBSA-N	C11 H20 N2 O3	228.1473	6.184		No matches found	No matches found	No MS2
Levulinic acid	HMDB0000720		JOOXCMJARBKPKM-UHFFFAOYSA-N	C5 H8 O3	116.04731	7.699		No matches found	No matches found	No MS2
L-Glutamine	HMDB0000641	C00064 	ZDXPYRJPNDTMRX-VKHMYHEASA-N	C5 H10 N2 O3	146.06906	0.874	86.6	No matches found	Multiple matches found	DDA for preferred ion
L-Histidine	HMDB0000177	C00135	HNDVDQJCIGZPNO-YFKPBYRVSA-N	C6 H9 N3 O2	155.06943	0.832		No matches found	No matches found	No MS2
L-Lysine	HMDB0000182	C00047 	KDXKERNSBIXSRK-YFKPBYRVSA-N	C6 H14 N2 O2	146.10547	0.755	90.1	No matches found	Multiple matches found	DDA for preferred ion
L-Methionine	HMDB0000696	C00073 	FFEARJCKVFRZRR-BYPYZUCNSA-N	C5 H11 N O2 S	149.05098	1.43	96.2	No matches found	Multiple matches found	DDA for preferred ion
Lopinavir	HMDB0015539	C12871	KJHKTHWMRKYKJE-SUGCFTRWSA-N	C37 H48 N4 O5	628.36125	12.584		No matches found	No matches found	No MS2
Loxoprofen	HMDB0041920	D08149	YMBXTVYHTMGZDW-UHFFFAOYSA-N	C15 H18 O3	246.12541	11.924		No matches found	No matches found	No MS2
L-Phenylalanine	HMDB0000159	C00079 	COLNVLDHVKWLRT-QMMMGPOBSA-N	C9 H11 N O2	165.07892	9.427		No matches found	No matches found	No MS2
L-Prolinamide		C19781	VLJNHYLEOZPXFW-BYPYZUCNSA-N	C5 H10 N2 O	114.07921	0.762		No matches found	No matches found	DDA for preferred ion
L-Serine	HMDB0000187	C00065 	MTCFGRXMJLQNBG-REOHCLBHSA-N	C3 H7 N O3	105.0425	0.877		No matches found	No matches found	DDA for other ion
L-Threonine	HMDB0000167	C00188	AYFVYJQAPQTCCC-GBXIJSLDSA-N	C4 H9 N O3	119.05813	0.877		No matches found	No matches found	DDA for other ion
L-Tyrosine	HMDB0000158	C00082	OUYCCCASQSFEME-QMMMGPOBSA-N	C9 H11 N O3	181.07386	0.967	91.2	No matches found	Multiple matches found	DDA for preferred ion
Lunacalcipol		D09928	RFQHCLMGLJGZNV-UXXOMSPDSA-N	C28 H42 O4 S	474.28066	10.924		No matches found	No matches found	No MS2
Lusitanicoside	HMDB0034120	C10474 	DAELTTGCCPRYTP-UHFFFAOYSA-N	C21 H30 O10	442.18425	10.417		No matches found	No matches found	No MS2
L-Valine	HMDB0000883	C00183 	KZSNJWFQEVHDMF-BYPYZUCNSA-N	C5 H11 N O2	117.07885	0.926	93.9	No matches found	Multiple matches found	DDA for preferred ion
LysoPC(0:0/18:1(9Z))	HMDB0062651		SULIDBRAXVDKBU-PTGWMXDISA-N	C26 H52 N O7 P	521.3479	13.017		No matches found	No matches found	DDA for preferred ion
LysoPC(16:1(9Z)/0:0)	HMDB0010383	C04230 	LFUDDCMNKWEORN-ZXEGGCGDSA-N	C24 H48 N O7 P	493.31663	12.438		No matches found	No matches found	DDA for preferred ion
LysoPC(18:2(9Z,12Z)/0:0)	HMDB0010386		SPJFYYJXNPEZDW-FTJOPAKQSA-N	C26 H50 N O7 P	519.3322	12.668		No matches found	No matches found	DDA for preferred ion
LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	HMDB0010397	C04230 	PDIGSOAOQOXRDU-WJPZTBRDSA-N	C28 H48 N O7 P	541.31669	12.317		No matches found	No matches found	DDA for preferred ion
LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	HMDB0010403	C04230 	BIEOSECQPGGZMF-NAIWXXGBSA-N	C30 H52 N O7 P	569.34774	13.003		No matches found	No matches found	DDA for preferred ion
LysoPC(P-16:0/0:0)	HMDB0010407		HTZINLFNXLXRBC-CQLBIITFSA-N	C24 H50 N O6 P	479.33709	13.174		No matches found	No matches found	DDA for preferred ion
LysoPC(P-18:0/0:0)	HMDB0013122		WBOMIOWRFSPZMC-AYICAFKVSA-N	C26 H54 N O6 P	507.36864	13.406		No matches found	No matches found	DDA for preferred ion
LysoPE(18:1(9Z)/0:0)	HMDB0011506		PYVRVRFVLRNJLY-MZMPXXGTSA-N	C23 H46 N O7 P	479.30112	13.098		No matches found	No matches found	DDA for preferred ion
LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)	HMDB0011517		ROPRRXYVXLDXQO-XSQXPFHXSA-N	C25 H44 N O7 P	501.28565	12.636		No matches found	No matches found	DDA for preferred ion
Menadiol		C07126	ZJTLZYDQJHKRMQ-UHFFFAOYSA-N	C11 H10 O2	174.06803	10.922		No matches found	No matches found	No MS2
Menadione	HMDB0001892	C05377	MJVAVZPDRWSRRC-UHFFFAOYSA-N	C11 H8 O2	172.05238	10.767		No matches found	No matches found	No MS2
Meprobamate	HMDB0014515		NPPQSCRMBWNHMW-UHFFFAOYSA-N	C9 H18 N2 O4	218.12654	1.432		No matches found	No matches found	No MS2
Methacholine	HMDB0015654	C07471 	NZWOPGCLSHLLPA-UHFFFAOYSA-N	C8 H17 N O2	159.12582	1.417	87.3	No matches found	Single match found	DDA for preferred ion
Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate	HMDB0032796		ABFHVQPVDSMGNR-UHFFFAOYSA-N	C13 H18 O5	254.11553	10.891		Multiple matches found	No matches found	DDA for preferred ion
Methyl jasmonate	HMDB0036583	C11512 	GEWDNTWNSAZUDX-WQMVXFAESA-N	C13 H20 O3	224.14105	11.827		No matches found	No matches found	No MS2
Mexiletine	HMDB0014523	C07220 	VLPIATFUUWWMKC-UHFFFAOYSA-N	C11 H17 N O	179.13105	11.45		No matches found	No matches found	No MS2
Minaprine	HMDB0014943		LDMWSLGGVTVJPG-UHFFFAOYSA-N	C17 H22 N4 O	298.17815	11.782		No matches found	No matches found	No MS2
Muscimol		C08311	ZJQHPWUVQPJPQT-UHFFFAOYSA-N	C4 H6 N2 O2	114.04284	0.928		No matches found	No matches found	DDA for preferred ion
N1-Acetylspermidine	HMDB0001276	C00612 	MQTAVJHICJWXBR-UHFFFAOYSA-N	C9 H21 N3 O	187.16847	0.822		No matches found	No matches found	No MS2
N2-Acetylornithine	HMDB0003357	C00437	JRLGPAXAGHMNOL-LURJTMIESA-N	C7 H14 N2 O3	174.10041	0.945		Single match found	No matches found	DDA for preferred ion
N-a-Acetyl-L-arginine	HMDB0004620		SNEIUMQYRCDYCH-LURJTMIESA-N	C8 H16 N4 O3	216.12209	0.916		No matches found	No matches found	No MS2
Nabilone	HMDB0014629		GECBBEABIDMGGL-RTBURBONSA-N	C24 H36 O3	372.26611	11.727		No matches found	No matches found	No MS2
N-Acetylglutamine	HMDB0006029		KSMRODHGGIIXDV-YFKPBYRVSA-N	C7 H12 N2 O4	188.07963	1.421		No matches found	No matches found	No MS2
N-Acetyl-L-alanine	HMDB0000766		KTHDTJVBEPMMGL-VKHMYHEASA-N	C5 H9 N O3	131.05818	2.068	61.7	No matches found	Single match found	DDA for preferred ion
N-Acetyl-L-phenylalanine	HMDB0000512	C03519	CBQJSKKFNMDLON-JTQLQIEISA-N	C11 H13 N O3	207.08945	9.443	94.2	Single match found	Single match found	DDA for preferred ion
N-Acetyl-L-tyrosine	HMDB0000866	C01657	CAHKINHBCWCHCF-JTQLQIEISA-N	C11 H13 N O4	223.08437	6.343	95.8	Single match found	Single match found	DDA for preferred ion
N-Acetylserine	HMDB0002931		JJIHLJJYMXLCOY-BYPYZUCNSA-N	C5 H9 N O4	147.05306	0.886		No matches found	No matches found	DDA for preferred ion
N-Acetyltaurine	HMDB0240253		CXJAAWRLVGAKDV-UHFFFAOYSA-N	C4 H9 N O4 S	167.02523	0.951		No matches found	No matches found	No MS2
N-gamma-Glutamylglutamine	HMDB0029147		FCWNOQOVMGNKNG-WDSKDSINSA-N	C10 H17 N3 O6	275.1115	0.93		No matches found	No matches found	No MS2
Nicotinic acid	HMDB0001488	C00253	PVNIIMVLHYAWGP-UHFFFAOYSA-N	C6 H5 N O2	123.03197	1.433	96.1	No matches found	Multiple matches found	DDA for preferred ion
N-Isovalerylglycine	HMDB0000678		DCICDMMXFIELDF-UHFFFAOYSA-N	C7 H13 N O3	159.08944	6.235	84.6	No matches found	Multiple matches found	DDA for preferred ion
N-Stearoyl tyrosine	HMDB0062343		YKWCFTGLODSOSB-VWLOTQADSA-N	C27 H45 N O4	447.33455	12.087		No matches found	No matches found	No MS2
Octadecanamide	HMDB0034146	C13846 	LYRFLYHAGKPMFH-UHFFFAOYSA-N	C18 H37 N O	283.28725	11.772		No matches found	No matches found	No MS2
Octanoylglucuronide	HMDB0010347	C03033	ASFORWUCPCKFPY-BYNIDDHOSA-N	C14 H24 O8	320.14694	10.302		No matches found	No matches found	DDA for preferred ion
Olanzapine	HMDB0005012	C07322	KVWDHTXUZHCGIO-UHFFFAOYSA-N	C17 H20 N4 S	312.14057	6.67	90.9	No matches found	Single match found	DDA for preferred ion
Oleamide	HMDB0002117	C19670	FATBGEAMYMYZAF-KTKRTIGZSA-N	C18 H35 N O	264.24501	14.558	95.7	Single match found	Single match found	DDA for other ion
Oleandolide		C11990	PFDLUBNRHMFBGI-HRVFELILSA-N	C20 H34 O7	386.23067	12.128		No matches found	No matches found	DDA for preferred ion
Oleic acid	HMDB0000207	C00712	ZQPPMHVWECSIRJ-KTKRTIGZSA-N	C18 H34 O2	282.25598	12.294		No matches found	No matches found	DDA for preferred ion
Oleoylethanolamide	HMDB0002088			C20 H39 N O2	331.30834	11.802	71.8	No matches found	Single match found	DDA for preferred ion
Ophthalmic acid	HMDB0005765		JCMUOFQHZLPHQP-BQBZGAKWSA-N	C11 H19 N3 O6	289.12715	1.59		No matches found	No matches found	No MS2
Oxidized glutathione	HMDB0003337	C00127 	YPZRWBKMTBYPTK-BJDJZHNGSA-N	C20 H32 N6 O12 S2	612.15149	1.932	76.4	No matches found	Single match found	DDA for preferred ion
Oxoadipic acid	HMDB0000225	C00322	FGSBNBBHOZHUBO-UHFFFAOYSA-N	C6 H8 O5	160.03711	1.741		No matches found	No matches found	No MS2
Oxoglutaric acid	HMDB0000208	C00026	KPGXRSRHYNQIFN-UHFFFAOYSA-N	C5 H6 O5	146.02148	1.526		No matches found	No matches found	No MS2
Oxybuprocaine	HMDB0015029		CMHHMUWAYWTMGS-UHFFFAOYSA-N	C17 H28 N2 O3	308.21004	11.974		No matches found	No matches found	No MS2
Palmitic acid	HMDB0000220	C00249 	IPCSVZSSVZVIGE-UHFFFAOYSA-N	C16 H32 O2	273.26646	11.137	74.5	Single match found	No matches found	DDA for preferred ion
Palmitic amide	HMDB0012273		HSEMFIZWXHQJAE-UHFFFAOYSA-N	C16 H33 N O	255.25594	11.374		No matches found	No matches found	No MS2
Palmitoleic acid	HMDB0003229	C08362 	SECPZKHBENQXJG-FPLPWBNLSA-N	C16 H30 O2	254.22449	14.37	89.2	Single match found	Multiple matches found	DDA for preferred ion
Palmitoylethanolamide	HMDB0002100	C16512	HXYVTAGFYLMHSO-UHFFFAOYSA-N	C18 H37 N O2	299.28217	11.258	77.1	No matches found	Single match found	DDA for preferred ion
Paraldehyde	HMDB0032456	C07834 	SQYNKIJPMDEDEG-UHFFFAOYSA-N	C6 H12 O3	132.07851	6.094		No matches found	No matches found	No MS2
Paucine	HMDB0029876	C03002 	KTZNZCYTXQYEHT-XQRVVYSFSA-N	C23 H32 O10	468.19974	10.918		No matches found	No matches found	DDA for preferred ion
PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB0009012		XYYHNDVKALDFHQ-OXHZBIAZSA-N	C45 H78 N O8 P	791.55026	13.447		No matches found	No matches found	No MS2
Pentamidine	HMDB0014876	C07420 	XDRYMKDFEDOLFX-UHFFFAOYSA-N	C19 H24 N4 O2	340.18881	10.967		No matches found	No matches found	DDA for other ion
Phenylacetaldehyde	HMDB0006236	C00601	DTUQWGWMVIHBKE-UHFFFAOYSA-N	C8 H8 O	120.05739	9.215	77.8	No matches found	Single match found	DDA for preferred ion
Phenylacetylglycine	HMDB0000821	C05598 	UTYVDVLMYQPLQB-UHFFFAOYSA-N	C10 H11 N O3	193.0739	8.193	90.8	No matches found	Multiple matches found	DDA for preferred ion
Phenylhydrazine		C02304	HKOOXMFOFWEVGF-UHFFFAOYSA-N	C6 H8 N2	108.0687	0.742		No matches found	No matches found	No MS2
Phosphoric acid	HMDB0002142	C00009	NBIIXXVUZAFLBC-UHFFFAOYSA-N	H3 O4 P	97.97679	0.962		No matches found	No matches found	DDA for preferred ion
Picrocrocin	HMDB0005796		WMHJCSAICLADIN-VKSCUUAMSA-N	C16 H26 O7	330.16796	10.718		No matches found	No matches found	DDA for preferred ion
Pimilprost		D01188	SLDLSMFNGFIPNI-RXYUHBJGSA-N	C23 H40 O5	396.28719	13.755		Single match found	No matches found	DDA for other ion
Pipazethate	HMDB0015686		DTVJXCOMJLLMAK-UHFFFAOYSA-N	C21 H25 N3 O3 S	399.1614	9.616		No matches found	No matches found	DDA for preferred ion
Pipecolic acid	HMDB0000070	C00408	HXEACLLIILLPRG-UHFFFAOYSA-N	C6 H11 N O2	129.079	1.425	63.4	No matches found	Multiple matches found	DDA for preferred ion
Pivagabine		D07342	SRPNQDXRVRCTNK-UHFFFAOYSA-N	C9 H17 N O3	187.12083	10.242		No matches found	No matches found	DDA for preferred ion
Platelet-activating factor	HMDB0062195		HVAUUPRFYPCOCA-AREMUKBSSA-N	C26 H54 N O7 P	523.36352	13.826		No matches found	No matches found	DDA for preferred ion
Plazomicin			YDYFVUFSPQPPV-PEXOCOHZSA-N	C25 H48 N6 O10	592.34355	11.074		No matches found	No matches found	No MS2
Pregabalin	HMDB0014375		AYXYPKUFHZROOJ-ZETCQYMHSA-N	C8 H17 N O2	159.12583	0.935		No matches found	No matches found	No MS2
Probucol	HMDB0015537	C07373	FYPMFJGVHOHGLL-UHFFFAOYSA-N	C31 H48 O2 S2	516.30947	11.194		No matches found	No matches found	No MS2
Prohydrojasmon		C18538	IPDFPNNPBMREIF-CHWSQXEVSA-N	C15 H26 O3	254.18821	12.795		No matches found	No matches found	DDA for preferred ion
Proline	HMDB0000162	C00148	ONIBWKKTOPOVIA-BYPYZUCNSA-N	C5 H9 N O2	115.06322	0.759		No matches found	No matches found	No MS2
Proline betaine	HMDB0004827	C10172 	CMUNUTVVOOHQPW-LURJTMIESA-N	C7 H13 N O2	143.09454	7.161		No matches found	No matches found	No MS2
Promazine 5-sulfoxide	HMDB0013938		KSHDHDWHIWBNHA-UHFFFAOYSA-N	C17 H20 N2 O S	300.12927	10.604		No matches found	No matches found	No MS2
Promethazine sulfoxide			OWTCLFIFAFHQIX-UHFFFAOYSA-N	C17 H20 N2 O S	300.12929	9.406	93	No matches found	Multiple matches found	DDA for preferred ion
Propionylcarnitine	HMDB0000824		UFAHZIUFPNSHSL-MRVPVSSYSA-N	C10 H19 N O4	217.13124	9.878		No matches found	No matches found	DDA for preferred ion
Propofol	HMDB0014956		OLBCVFGFOZPWHH-UHFFFAOYSA-N	C12 H18 O	178.13559	10.761		No matches found	No matches found	No MS2
Prostaglandin G2 2-glyceryl Ester	HMDB0062591		CSMKZOGJSGGURC-PKBBWAGBSA-N	C23 H38 O8	442.25679	12.041		No matches found	Single match found	DDA for preferred ion
Protodioscin	HMDB0034062	C08907 	LVTJOONKWUXEFR-UHFFFAOYSA-N	C51 H84 O22	1048.54599	11.888		No matches found	No matches found	No MS2
PS(16:0/16:1(9Z))	HMDB0012355		SQYNOJCBJMSMAA-DPQCVDONSA-N	C38 H72 N O10 P	733.49003	12.437		No matches found	No matches found	No MS2
Purine	HMDB0001366	C15587	KDCGOANMDULRCW-UHFFFAOYSA-N	C5 H4 N4	120.04219	0.965	62.6	No matches found	Single match found	DDA for preferred ion
Putrescine	HMDB0001414	C00134	KIDHWZJUCRJVML-UHFFFAOYSA-N	C4 H12 N2	88.09993	0.73		No matches found	No matches found	No MS2
Pyrogallol		C01108	WQGWDDDVZFFDIG-UHFFFAOYSA-N	C6 H6 O3	126.03165	0.888		No matches found	No matches found	No MS2
Pyrogallol-2-O-sulphate	HMDB0060018		XADBYTWTQXSBAF-UHFFFAOYSA-N	C6 H6 O6 S	205.98848	4.399		No matches found	No matches found	DDA for preferred ion
Quercitrin	HMDB0033751	C01750	OXGUCUVFOIWWQJ-HQBVPOQASA-N	C21 H20 O11	448.10124	9.959		No matches found	No matches found	No MS2
Quetiapine	HMDB0005021	C07397	URKOMYMAXPYINW-UHFFFAOYSA-N	C21 H25 N3 O2 S	383.16636	10.197	92	No matches found	Single match found	DDA for preferred ion
Ribothymidine	HMDB0000884		DWRXFEITVBNRMK-JXOAFFINSA-N	C10 H14 N2 O6	258.08499	0.935		No matches found	No matches found	No MS2
Ribulose-5-phosphate		C00199	FNZLKVNUWIIPSJ-UHNVWZDZSA-N	C5 H11 O8 P	230.01873	0.931		No matches found	No matches found	No MS2
Risperidone	HMDB0005020	C06861 	RAPZEAPATHNIPO-UHFFFAOYSA-N	C23 H27 F N4 O2	410.21288	9.574		No matches found	No matches found	DDA for preferred ion
S-2-Propenyl propanethioate	HMDB0037493		GKRISGLFPMFKSX-UHFFFAOYSA-N	C6 H10 O S	130.04587	0.855		No matches found	No matches found	No MS2
Salbutamol	HMDB0001937	C11770 	NDAUXUAQIAJITI-UHFFFAOYSA-N	C13 H21 N O3	239.15217	11.453		No matches found	No matches found	DDA for preferred ion
Salicylic acid	HMDB0001895	C00805 	YGSDEFSMJLZEOE-UHFFFAOYSA-N	C7 H6 O3	138.03164	10.164	70.8	No matches found	Multiple matches found	DDA for preferred ion
Salicyluric acid	HMDB0000840	C07588 	ONJSZLXSECQROL-UHFFFAOYSA-N	C9 H9 N O4	195.05305	5.346	89.1	No matches found	Single match found	DDA for preferred ion
S-Allylcysteine	HMDB0034323		ZFAHNWWNDFHPOH-UHFFFAOYSA-N	C6 H11 N O2 S	161.05088	2.71		No matches found	No matches found	No MS2
Secobarbital	HMDB0014562		KQPKPCNLIDLUMF-UHFFFAOYSA-N	C12 H18 N2 O3	238.13105	11.747		No matches found	No matches found	No MS2
Secoisolariciresinol	HMDB0013692	C18167 	PUETUDUXMCLALY-HOTGVXAUSA-N	C20 H26 O6	362.17265	11.699		No matches found	No matches found	No MS2
Sorbitan laurate	HMDB0029885		LWZFANDGMFTDAV-UHFFFAOYSA-N	C18 H34 O6	346.23557	10.905		No matches found	No matches found	DDA for preferred ion
Soyasaponin I	HMDB0034649	C08983	PTDAHAWQAGSZDD-IOVCITQVSA-N	C48 H78 O18	942.51476	11.1		No matches found	No matches found	No MS2
Spermidine	HMDB0001257	C00315	ATHGHQPFGPMSJY-UHFFFAOYSA-N	C7 H19 N3	128.13124	0.729	75.1	No matches found	Single match found	DDA for other ion
Sphinganine 1-phosphate	HMDB0001383	C01120	YHEDRJPUIRMZMP-ZWKOTPCHSA-N	C18 H40 N O5 P	381.26436	12.296		No matches found	No matches found	DDA for preferred ion
Sphingosine 1-phosphate	HMDB0000277	C06124	DUYSYHSSBDVJSM-KRWOKUGFSA-N	C18 H38 N O5 P	379.2487	12.148	87.2	No matches found	Single match found	DDA for preferred ion
Stearoylcarnitine	HMDB0000848		FNPHNLNTJNMAEE-HSZRJFAPSA-N	C25 H49 N O4	427.3658	12.568		No matches found	No matches found	DDA for preferred ion
Succinic acid	HMDB0000254	C00042	KDYFGRWQOYBRFD-UHFFFAOYSA-N	C4 H6 O4	118.02653	1.939	91.6	No matches found	Multiple matches found	DDA for preferred ion
Succinic anhydride	HMDB0032523	C19524	RINCXYDBBGOEEQ-UHFFFAOYSA-N	C4 H4 O3	100.016	1.863		No matches found	No matches found	No MS2
Sucrose	HMDB0000258	C00089	CZMRCDWAGMRECN-UGDNZRGBSA-N	C12 H22 O11	342.11599	0.908		No matches found	No matches found	No MS2
Sulfoglycolithocholate(2-)	HMDB0062801		FHXBAFXQVZOILS-UHFFFAOYSA-N	C26 H43 N O7 S	513.27641	10.797		No matches found	No matches found	DDA for preferred ion
Suprofen	HMDB0015008	C07320	MDKGKXOCJGEUJW-UHFFFAOYSA-N	C14 H12 O3 S	260.05054	1.5		No matches found	No matches found	No MS2
Taurine	HMDB0000251	C00245 	XOAAWQZATWQOTB-UHFFFAOYSA-N	C2 H7 N O3 S	125.01455	0.875	88.2	No matches found	Single match found	DDA for preferred ion
Tentoxin		C08441	SIIRBDOFKDACOK-LFXZBHHUSA-N	C22 H30 N4 O4	414.22522	11.778		No matches found	No matches found	No MS2
Tetraacetylethylenediamine	HMDB0040573		BGRWYDHXPHLNKA-UHFFFAOYSA-N	C10 H16 N2 O4	228.11087	1.357		No matches found	No matches found	No MS2
Tetradecanedioic acid	HMDB0000872		HQHCYKULIHKCEB-UHFFFAOYSA-N	C14 H26 O4	258.18327	11.94	90.5	No matches found	Single match found	DDA for preferred ion
Tetrahydrocortisol	HMDB0000949	C05465 	AODPIQQILQLWGS-OBRSLYEHSA-N	C21 H34 O5	366.24064	10.816		No matches found	No matches found	DDA for preferred ion
Theophylline	HMDB0001889	C07130	ZFXYFBGIUFBOJW-UHFFFAOYSA-N	C7 H8 N4 O2	180.06464	6.026	83.2	No matches found	Multiple matches found	DDA for preferred ion
Thiomorpholine 3-carboxylate	HMDB0059611	C03901	JOKIQGQOKXGHDV-UHFFFAOYSA-N	C5 H9 N O2 S	147.03538	0.94		No matches found	No matches found	DDA for preferred ion
Threonic acid	HMDB0062620	C01620	JPIJQSOTBSSVTP-STHAYSLISA-N	C4 H8 O5	136.03716	0.911	74.2	No matches found	Single match found	DDA for preferred ion
Thymidine	HMDB0000273	C00214	IQFYYKKMVGJFEH-XLPZGREQSA-N	C10 H14 N2 O5	242.09045	4.624	78.8	No matches found	Single match found	DDA for preferred ion
Thymine	HMDB0000262	C00178	RWQNBRDOKXIBIV-UHFFFAOYSA-N	C5 H6 N2 O2	126.04301	4.464		No matches found	No matches found	No MS2
Tiglylcarnitine	HMDB0002366		WURBQCVBQNMUQT-OLKPEBQYSA-N	C12 H21 N O4	243.14715	9.426		No matches found	No matches found	DDA for preferred ion
Toloxatone 		D02559	MXUNKHLAEDCYJL-UHFFFAOYSA-N	C11 H13 N O3	207.08946	9.75		No matches found	No matches found	DDA for preferred ion
Tranexamic Acid	HMDB0014447	C12535	GYDJEQRTZSCIOI-UHFFFAOYSA-N	C8 H15 N O2	157.11023	1.423		No matches found	No matches found	No MS2
trans-2-Dodecenoylcarnitine	HMDB0013326		JEOZLTJHDSKQIT-CLVCIHKQSA-N	C19 H35 N O4	341.25609	11.151		No matches found	No matches found	No MS2
trans-Hexadec-2-enoyl carnitine	HMDB0006317		SOYNLLDADLOGAM-ISLYRVAYSA-N	C23 H43 N O4	397.31899	11.955		No matches found	No matches found	DDA for preferred ion
trans-Piceid	HMDB0030564	C10275	HSTZMXCBWJGKHG-CUYWLFDKSA-N	C20 H22 O8	390.13173	10.418		No matches found	No matches found	No MS2
Traumatic acid	HMDB0000933	C16308	MAZWDMBCPDUFDJ-VQHVLOKHSA-N	C12 H20 O4	228.13619	11.012		No matches found	No matches found	DDA for preferred ion
Traumatin	HMDB0037326	C16309 	INMKWUNQKOWGEZ-VQHVLOKHSA-N	C12 H20 O3	212.14108	11.128		No matches found	No matches found	No MS2
Tridecanedioic acid	HMDB0002327		DXNCZXXFRKPEPY-UHFFFAOYSA-N	C13 H24 O4	244.16738	11.617		No matches found	No matches found	DDA for preferred ion
Trifluoroacetic acid	HMDB0014118		DTQVDTLACAAQTR-UHFFFAOYSA-N	C2 H F3 O2	113.99282	0.798		No matches found	No matches found	DDA for preferred ion
Trimethadione	HMDB0014491		IRYJRGCIQBGHIV-UHFFFAOYSA-N	C6 H9 N O3	143.05823	0.897		No matches found	No matches found	No MS2
Troleandomycin	HMDB0015448	C12753	LQCLVBQBTUVCEQ-QTFUVMRISA-N	C41 H67 N O15	813.44972	12.157		No matches found	No matches found	No MS2
Tylvalosin		D10032	KCJJINQANFZSAM-HZDSEHBESA-N	C53 H87 N O19	1041.59116	11.603		No matches found	No matches found	No MS2
Uracil	HMDB0000300	C00106 	ISAKRJDGNUQOIC-UHFFFAOYSA-N	C4 H4 N2 O2	112.02697	0.949		No matches found	No matches found	DDA for preferred ion
Uric acid	HMDB0000289	C00366	LEHOTFFKMJEONL-UHFFFAOYSA-N	C5 H4 N4 O3	168.02824	1.445	92.1	No matches found	Single match found	DDA for preferred ion
Valeroidine			APLLVFVOTXZBFO-RUJICJSRSA-N	C13 H23 N O3	241.1678	11.637		No matches found	No matches found	No MS2
Valine	HMDB0000883	C00183	KZSNJWFQEVHDMF-BYPYZUCNSA-N	C5 H11 N O2	117.07885	1.379	96.2	No matches found	Multiple matches found	DDA for preferred ion
Vanillin	HMDB0012308	C00755 	MWOOGOJBHIARFG-UHFFFAOYSA-N	C8 H8 O3	152.04728	8.949		No matches found	No matches found	No MS2
Vigabatrin	HMDB0015212	C07500	PJDFLNIOAUIZSL-UHFFFAOYSA-N	C6 H11 N O2	129.07892	0.757		No matches found	No matches found	DDA for preferred ion
Westiellamide		C15739	MIDTUAMKJJDHAR-YAWPOEEYSA-N	C27 H42 N6 O6	546.31582	11.078		No matches found	No matches found	No MS2
Xanthine	HMDB0000292	C00385	LRFVTYWOQMYALW-UHFFFAOYSA-N	C5 H4 N4 O2	152.03329	1.757	86.6	No matches found	Single match found	DDA for preferred ion
Zeranol	HMDB0032702	C14752	DWTTZBARDOXEAM-UHFFFAOYSA-N	C18 H26 O5	322.17783	11.352		No matches found	No matches found	No MS2
METABOLITES_END
#END