#METABOLOMICS WORKBENCH BaiRui_20210404_082140_mwtab.txt DATATRACK_ID:2564 STUDY_ID:ST001781 ANALYSIS_ID:AN002892 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	May 11, 2021, 3:14 pm
#PROJECT
PR:PROJECT_TYPE                  	Original Research
PR:PROJECT_SUMMARY               	With the innovation of metabolite detection technology and the application of
PR:PROJECT_SUMMARY               	chemometrics in biomarker identification, metabolomics has been widely used to
PR:PROJECT_SUMMARY               	identify endogenous differential metabolites after drug poisoning. In this
PR:PROJECT_SUMMARY               	study, ultra-performance liquid chromatography-high resolution mass spectrometry
PR:PROJECT_SUMMARY               	(UPLC-HRMS) was combined with advanced chemometric approaches to identify
PR:PROJECT_SUMMARY               	differential metabolites that are associated with lethal chlorpromazine (CPZ)
PR:PROJECT_SUMMARY               	poisoning and associated perturbed metabolic pathways. Differential metabolite
PR:PROJECT_SUMMARY               	specificity and stability were assessed by comparing the CPZ samples to other
PR:PROJECT_SUMMARY               	antipsychotics, such as perphenazine (PER), clozapine (CLO) and olanzapine
PR:PROJECT_SUMMARY               	(OLA), that are associated with a high fatality frequency and by comparing them
PR:PROJECT_SUMMARY               	to non-drug related deaths (NDRDs) associated with hypoxia. The results
PR:PROJECT_SUMMARY               	implicated three candidate differential metabolites (acetyl-L-carnitine,
PR:PROJECT_SUMMARY               	propionyl-L-carnitine and succinic acid) with a high and relatively stable
PR:PROJECT_SUMMARY               	sensitivity (85.7–100%) following predictive analysis. Additionally, no
PR:PROJECT_SUMMARY               	differential metabolites were identified when comparing CPZ to PRE, OLA and CLO,
PR:PROJECT_SUMMARY               	but all of the drugs showed a similar pharmacodynamic receptor profile. Overall,
PR:PROJECT_SUMMARY               	this study provides a methodological and theoretical basis for biomarker
PR:PROJECT_SUMMARY               	identification in lethal CPZ poisoning (LCP) cases.
PR:INSTITUTE                     	new
PR:FIRST_NAME                    	rui
PR:ADDRESS                       	Hebei Province, Shijiazhuang 050018, P.R. China
PR:EMAIL                         	15822925144@163.com
PR:PHONE                         	18522889554
PR:PROJECT_TITLE                 	Examination of Candidate Differential Metabolites for Lethal Chlorpromazine
PR:PROJECT_TITLE                 	Poisoning Using a LC-MS-based Metabolomics Approach in Mice (part III)
PR:LAST_NAME                     	Bai
#STUDY
ST:STUDY_TITLE                   	Identifying Candidate Differential Metabolites in lethal chlorpromazine
ST:STUDY_TITLE                   	poisoning Relative to non-drug related deaths (part III)
ST:STUDY_SUMMARY                 	candidate differential metabolites in lethal chlorpromazine poisoning Relative
ST:STUDY_SUMMARY                 	to non-drug related deaths (cervical dislocation, drowning, mechanical asphyxia
ST:STUDY_SUMMARY                 	and acute hemorrhagic shock).
ST:INSTITUTE                     	Hebei medical university
ST:LAST_NAME                     	Bai
ST:FIRST_NAME                    	Rui
ST:ADDRESS                       	No.9 Tiyu North Street, Chang'an District
ST:EMAIL                         	15822925144@163.com
ST:STUDY_TYPE                    	original study
ST:PHONE                         	18522889554
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:AGE_OR_AGE_RANGE              	7-8 weeks
SU:GENDER                        	Male and female
SU:SPECIES_GROUP                 	Hsd:ICR(CD1) mice
#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           	-	F-N-1	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-N-1
SUBJECT_SAMPLE_FACTORS           	-	F-N-2	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-N-2
SUBJECT_SAMPLE_FACTORS           	-	F-N-3	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-N-3
SUBJECT_SAMPLE_FACTORS           	-	F-N-4	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-N-4
SUBJECT_SAMPLE_FACTORS           	-	F-N-5	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-N-5
SUBJECT_SAMPLE_FACTORS           	-	F-N-6	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-N-6
SUBJECT_SAMPLE_FACTORS           	-	M-N-1	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-N-1
SUBJECT_SAMPLE_FACTORS           	-	M-N-2	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-N-2
SUBJECT_SAMPLE_FACTORS           	-	M-N-3	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-N-3
SUBJECT_SAMPLE_FACTORS           	-	M-N-4	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-N-4
SUBJECT_SAMPLE_FACTORS           	-	M-N-5	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-N-5
SUBJECT_SAMPLE_FACTORS           	-	M-N-6	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-N-6
SUBJECT_SAMPLE_FACTORS           	-	M-S-1	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	RAW_FILE_NAME=M-S-1
SUBJECT_SAMPLE_FACTORS           	-	M-S-2	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	RAW_FILE_NAME=M-S-2
SUBJECT_SAMPLE_FACTORS           	-	M-S-3	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	RAW_FILE_NAME=M-S-3
SUBJECT_SAMPLE_FACTORS           	-	M-S-4	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	RAW_FILE_NAME=M-S-4
SUBJECT_SAMPLE_FACTORS           	-	M-S-5	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	RAW_FILE_NAME=M-S-5
SUBJECT_SAMPLE_FACTORS           	-	M-S-6	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	RAW_FILE_NAME=M-S-6
SUBJECT_SAMPLE_FACTORS           	-	F-S-1	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	RAW_FILE_NAME=F-S-1
SUBJECT_SAMPLE_FACTORS           	-	F-S-2	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	RAW_FILE_NAME=F-S-2
SUBJECT_SAMPLE_FACTORS           	-	F-S-3	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	RAW_FILE_NAME=F-S-3
SUBJECT_SAMPLE_FACTORS           	-	F-S-4	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	RAW_FILE_NAME=F-S-4
SUBJECT_SAMPLE_FACTORS           	-	F-S-5	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	RAW_FILE_NAME=F-S-5
SUBJECT_SAMPLE_FACTORS           	-	F-S-6	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	RAW_FILE_NAME=F-S-6
SUBJECT_SAMPLE_FACTORS           	-	F-T-1	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-T-1
SUBJECT_SAMPLE_FACTORS           	-	F-T-2	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-T-2
SUBJECT_SAMPLE_FACTORS           	-	F-T-3	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-T-3
SUBJECT_SAMPLE_FACTORS           	-	F-T-4	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-T-4
SUBJECT_SAMPLE_FACTORS           	-	F-T-5	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-T-5
SUBJECT_SAMPLE_FACTORS           	-	F-T-6	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-T-6
SUBJECT_SAMPLE_FACTORS           	-	M-T-1	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-T-1
SUBJECT_SAMPLE_FACTORS           	-	M-T-2	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-T-2
SUBJECT_SAMPLE_FACTORS           	-	M-T-3	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-T-3
SUBJECT_SAMPLE_FACTORS           	-	M-T-4	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-T-4
SUBJECT_SAMPLE_FACTORS           	-	M-T-5	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-T-5
SUBJECT_SAMPLE_FACTORS           	-	M-T-6	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-T-6
SUBJECT_SAMPLE_FACTORS           	-	M-X-1	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-X-1
SUBJECT_SAMPLE_FACTORS           	-	M-X-2	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-X-2
SUBJECT_SAMPLE_FACTORS           	-	M-X-3	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-X-3
SUBJECT_SAMPLE_FACTORS           	-	M-X-4	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-X-4
SUBJECT_SAMPLE_FACTORS           	-	M-X-5	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-X-5
SUBJECT_SAMPLE_FACTORS           	-	M-X-6	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-X-6
SUBJECT_SAMPLE_FACTORS           	-	F-X-1	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-X-1
SUBJECT_SAMPLE_FACTORS           	-	F-X-2	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-X-2
SUBJECT_SAMPLE_FACTORS           	-	F-X-3	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-X-3
SUBJECT_SAMPLE_FACTORS           	-	F-X-4	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-X-4
SUBJECT_SAMPLE_FACTORS           	-	F-X-5	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-X-5
SUBJECT_SAMPLE_FACTORS           	-	F-X-6	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-X-6
SUBJECT_SAMPLE_FACTORS           	-	F-Z-1	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-Z-1
SUBJECT_SAMPLE_FACTORS           	-	F-Z-2	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-Z-2
SUBJECT_SAMPLE_FACTORS           	-	F-Z-3	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-Z-3
SUBJECT_SAMPLE_FACTORS           	-	F-Z-4	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-Z-4
SUBJECT_SAMPLE_FACTORS           	-	F-Z-5	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-Z-5
SUBJECT_SAMPLE_FACTORS           	-	F-Z-6	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	RAW_FILE_NAME=F-Z-6
SUBJECT_SAMPLE_FACTORS           	-	M-Z-1	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-Z-1
SUBJECT_SAMPLE_FACTORS           	-	M-Z-2	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-Z-2
SUBJECT_SAMPLE_FACTORS           	-	M-Z-3	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-Z-3
SUBJECT_SAMPLE_FACTORS           	-	M-Z-4	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-Z-4
SUBJECT_SAMPLE_FACTORS           	-	M-Z-5	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-Z-5
SUBJECT_SAMPLE_FACTORS           	-	M-Z-6	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	RAW_FILE_NAME=M-Z-6
#COLLECTION
CO:COLLECTION_SUMMARY            	plasma were isolated and then flash-frozen in liquid N2
CO:COLLECTION_PROTOCOL_FILENAME  	process protocol.pdf
CO:SAMPLE_TYPE                   	Blood (plasma)
#TREATMENT
TR:TREATMENT_SUMMARY             	Lethal poisoning animals were given chlorpromzine through gavage.Non-drug
TR:TREATMENT_SUMMARY             	related death animal models according to previous study.Abdominal aortic blood
TR:TREATMENT_SUMMARY             	was obtained after death.
TR:TREATMENT_PROTOCOL_FILENAME   	process protocol.pdf
TR:TREATMENT                     	drug
TR:TREATMENT_ROUTE               	gavage
TR:TREATMENT_DOSE                	150mg/100g
TR:TREATMENT_DOSEVOLUME          	300ul
TR:TREATMENT_DOSEDURATION        	once
TR:TREATMENT_VEHICLE             	Gavage needle
TR:ANIMAL_ACCLIMATION_DURATION   	one week
TR:ANIMAL_FASTING                	one night before experiment
TR:ANIMAL_ENDP_CLINICAL_SIGNS    	stop breathing
TR:TREATMENT_COMPOUND            	chlorpromazine
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	100 μL of plasma or 70 μL of whole blood were added to tubes with ice-cold
SP:SAMPLEPREP_SUMMARY            	methanol (Vsample: Vextraction = 1:3). Each sample was then vortexed for 30 s,
SP:SAMPLEPREP_SUMMARY            	sonicated for 10 min in an ice-water bath, and incubated for 20 min at −20°C
SP:SAMPLEPREP_SUMMARY            	to allow protein precipitation. The mixtures were then centrifuged at 12,000 g
SP:SAMPLEPREP_SUMMARY            	for 10 min at 4°C.
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:EXTRACT_STORAGE               	On ice
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Separation was performed using a reverse-phase (C18) column (HSS T3 column; 2.1
CH:CHROMATOGRAPHY_SUMMARY        	mm × 100 mm, 1.8 μm; Waters), with a gradient elution of solution A (0.1%
CH:CHROMATOGRAPHY_SUMMARY        	formic acid in water) and solution B (acetonitrile) of 0.3 mL/min and an
CH:CHROMATOGRAPHY_SUMMARY        	injection volume of 5 μL. The elution gradient was set as follows: 0 min, 98%
CH:CHROMATOGRAPHY_SUMMARY        	A; 1 min, 98% A; 12 min, 2% A; 16 min, 2% A; 16.1 min, 98% A; and 20 min, 98% A.
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)
CH:FLOW_RATE                     	300ul/min
CH:COLUMN_TEMPERATURE            	40
CH:SOLVENT_A                     	0.1% formic acid
CH:SOLVENT_B                     	100% Acetonitrile
CH:ANALYTICAL_TIME               	20min
#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                   	compound discovery 3.1
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	F-N-1	F-N-2	F-N-3	F-N-4	F-N-5	F-N-6	M-N-1	M-N-2	M-N-3	M-N-4	M-N-5	M-N-6	M-S-1	M-S-2	M-S-3	M-S-4	M-S-5	M-S-6	F-S-1	F-S-2	F-S-3	F-S-4	F-S-5	F-S-6	F-T-1	F-T-2	F-T-3	F-T-4	F-T-5	F-T-6	M-T-1	M-T-2	M-T-3	M-T-4	M-T-5	M-T-6	M-X-1	M-X-2	M-X-3	M-X-4	M-X-5	M-X-6	F-X-1	F-X-2	F-X-3	F-X-4	F-X-5	F-X-6	F-Z-1	F-Z-2	F-Z-3	F-Z-4	F-Z-5	F-Z-6	M-Z-1	M-Z-2	M-Z-3	M-Z-4	M-Z-5	M-Z-6
Factors	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	Phenotype 1:Drowning | Phenotype 2:Non-drug related death	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death	Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death
Phenotype 1	Drowning	Drowning	Drowning	Drowning	Drowning	Drowning	Drowning	Drowning	Drowning	Drowning	Drowning	Drowning	LCP	LCP	LCP	LCP	LCP	LCP	LCP	LCP	LCP	LCP	LCP	LCP	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Cervical dislocation	Hemorrhagic shock	Hemorrhagic shock	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	Mechanical asphyxia	Mechanical asphyxia
Phenotype 2	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	Lethal chlorpromazine poisoning	Lethal chlorpromazine poisoning	Lethal chlorpromazine poisoning	Lethal chlorpromazine poisoning	Lethal chlorpromazine poisoning	Lethal chlorpromazine poisoning	Lethal chlorpromazine poisoning	Lethal chlorpromazine poisoning	Lethal chlorpromazine poisoning	Lethal chlorpromazine poisoning	Lethal chlorpromazine poisoning	Lethal chlorpromazine 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
L-Acetylcarnitine	1201725420	1851091516	809938930.9	839200514.5	1956666890	978200950.9	1113196922	759710887.1	1610285400	711890974.5	747100031.1	1107186809	316909695.7	436651098	374542083.2	389210708.8	487717115.7	842350414.7	1053809114	666625310.3	941762406	577139789.8	634004362.9	373932051.6	798701419.9	708492340.5	1264407073	577860746.6	418361921	1493681435	1167075849	1512963596	1274058148	1075919106	776946072.7	986226421.4	597461871.3	1354598911	1440029747	635837728.7	1122019812	1051955734	1130654993	498953060.9	578572521.3	1060873827	672385111.7	524450429.3	1499125443	905941645.2	619176831.4	1036712289	1343338179	1553572136	960999445.4	848114668.8	507341879.6	1013780050	868350174.4	685554999
(+)-Calycanthine	14680956.88	16825136.08	25981425.23	21283203.54	11500511.67	12330892.81	16102975.18	9279108.495	19527219.44	18696964.64	10984697.78	52847255.02	42459387.96	37630194.35	40599121.25	43687795.1	48396681.27	57772155.12	75822409.66	66621795.14	81285067.96	34139898.85	55829328.68	49773196.81	27177698.9	23271486.13	13981329.63	5998345.935	4173278.104	19428927.38	8979892.481	15921406.42	14346888.42	25171985.38	17856418.54	16086652.12	51638002.73	56590583.28	36663241.42	43293203.56	23968148.27	23289466.52	45476291.98	66761303.67	22522986.97	32466155.27	350760.5657	15481079.2	34518643.58	38768613.58	12004982.5	65556399	56058258.8	62398810.05	27942580.49	30244684.9	17273064.41	36229496.87	25141488.72	53423178.72
(±)-Furaneol	6587176.049	6542264.907	7503409.333	7309738.203	9162323.505	7536217.61	7678386.283	6748007.785	5907943.774	6848208.937	7295008.954	397889.991	8371740.26	8260410.709	8001109.128	8798301.109	7494935.417	7294041.69	8192373.101	8562995.687	8373166.03	1096780.21	8166950.438	7266880.123	10822861.7	11738223.32	12319057.93	13351506.03	11026561.7	5809412.06	6327189.947	6969064.496	7218035.156	6297595.791	6521196.985	13684543.94	7108858.585	7326345.419	7659635.842	7291225.25	6386329.108	6983988.897	8553317.923	8004389.811	7296892.036	7178682.891	460772.7779	6679368.466	5836310.527	3634280.567	7113765.651	3761112.706	3383194.484	2992066.133	2727172.244	7296287.595	3505222.788	2533472.946	3548055.226	3306124.145
(2S)-2-[(2-Methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid	5931742.124	17186733.8	149007567.2	4906233.833	259776272.1	70261522.32	354502222.7	302015665.2	277969628.8	238683041.3	363545130.7	15430033.05	166303956.5	305998391.8	318493877	369172316.7	81628353.69	18236989.37	44126974.58	10980976.06	32966857.22	10894658.01	20497472.34	11601223.03	2351524.2	1773924.658	3138644.595	1757861.858	2382697.004	3856521.195	50128748.31	90979083.79	63964715.12	4111528.383	5451630.35	96462650.93	61023313.93	162868677.7	59635123.82	151029892	36926799.98	67427992.79	4677430.833	5971379.474	3042165.187	4670371.891	4315632.439	2056242.205	5770849.035	5259570.935	10502677.58	6258760.472	7560462.023	7740159.707	44899063.17	49610993.21	92427849.84	31531220.1	56339141.42	165912267.7
(9S,10S)-9,10-dihydroxyoctadecanoate	8770685.866	1876270.89	3139108.405	1121509.079	2706728.272	3394426.785	3160317.077	2864443.869	1881758.34	979795.0539	2724883.713	6196631.506	372129.4132	2222040.313	405009.2167	575061.5652	7991151.554	4561582.86	2837875.555	2756986.636	8292137.506	1660055.239	3191680.171	5044500.254	2554473.149	2635944.291	1585324.992	465910.3282	1180463.559	403592.3829	1404891.179	1520172.848	536342.3715	818563.7897	2608322.328	1713658.434	637710.9594	2554611.213	1979105.38	2644523.994	1619523.163	938102.0426	3491401.736	1257813.767	1066038.922	1363053.885	1753838.889	904179.3179	408687.4252	356834.0811	435165.3009	409889.2507	723465.8194	909713.8702	2733478.032	2299723.189	3439304.922	3053247.017	3290804.893	8102039.273
(Hydroxyethyl)methacrylate	133856156.2	217752771.1	274896888.3	108619547.4	269247255.3	201245134	138986715.7	93631838.23	90534524.37	51015105.15	115446706.1	121512984.3	115711003.9	151830616.2	328921368.8	367155494.1	111238130.7	190923509.5	109282326	143417286.4	177184806.4	95693270.97	148845592	128853067.8	194643162.6	171256637.7	366466739.6	94769478.37	43199022.85	199550559.9	144427283	139665104.4	229265489.9	174072876.9	203155517.7	155279257.8	282891859.8	257283691.7	173312275.5	370934733.2	153451824.4	150822842.3	353269798.5	376939002.3	185562824.4	310890377.6	341923217.7	91813300.8	401311244	157930408	127591622.5	230030893	229894640.4	283051061	245896111.7	200468616.2	152926255.9	180209423.3	162255322.1	385082568.7
(R)-3-Hydroxy myristic acid	35079753.25	8444887.982	7799302.703	9834591.801	3733851.402	12006703.9	6309431.285	7604552.591	790428.5273	627515.4147	8896181.459	12357365.87	874536.3343	3105566.31	707500.5069	970283.3408	6733839.077	12734981.76	13683239.71	4366846.353	22042155.47	2765257.187	13143707.01	8568597.19	408126.1586	238143.0676	708635.1553	231714.7511	209954.693	374376.8428	2200186.603	526423.9249	1166840.345	982408.466	2833560.856	736537.3583	1051867.393	3243919.055	1723798.846	1544575.143	2448851.804	850578.2333	302876.7913	2500382.74	540251.9259	792548.4343	611706.5849	303168.0533	605832.8459	991578.501	1562466.404	503618.7249	1704608.005	2025400.674	2073146.666	1610139.557	1732294.983	2584016.924	2908286.864	3915458.541
(R)-3-hydroxybutyrylcarnitine	185012604.3	180008790.8	116063408.3	77322388.96	59122362.7	142593890.4	80539549.25	63272270.96	45858359.18	33468342.22	52482783.58	71296744.84	21039092.42	16946932.36	17768195.12	33701905.15	51920061.92	135014431.4	96878768.3	42051874.78	120746078.8	64850578.3	79896284.11	13992787.45	16364433.06	24924560.38	13731625.82	12731852.15	4595854.013	19809482.61	80756294.58	50371350.33	115982044.9	64230423.07	52760794.19	55873783.03	53599198.67	47575177.87	57590695.9	56577159.6	40461724.11	44027142.44	9461497.391	26878859.38	9583083.163	12481446.74	12079120.56	8210673.312	73108439.01	91522734.05	25944282.66	105464429.6	85461295.57	91523868.5	61803733.98	53281505.47	36937956.85	39151961.31	78624099.97	46056363.92
(R)-3-Hydroxydecanoic acid	21469957.53	9192093.688	7194191.079	5381669.108	7467799.974	11843043.75	13665112.34	9326775.7	2344631.114	2022053.285	10236966.85	11829837.63	801081.2653	7828765.647	1077532.842	1086660.396	9094371.91	14649115.23	14192465.96	5081179.389	12032521.3	1984353.128	6590116.836	8177330.235	1088429.335	685690.6571	1005176.177	500066.6151	413865.3367	941166.482	7698112.421	1338912.742	4010267.511	1713220.882	6578772.392	1325918.982	1620700.918	7560167.977	4861856.383	1904652.856	3136029.377	1281340.939	836548.352	2711943.285	1124706.102	1647403.462	1379408.411	362959.1934	997097.8217	1044892.599	1554310.951	937185.0628	2580199.811	2774237.865	5654176.372	5345993	3313954.658	2139041.333	7567005.816	7292830.83
(S)-9-Hydroxy-10-undecenoic acid	3785300.628	6948880.948	2039362.636	1237785.406	99901.17451	2709780.692	2012254.414	1057534.545	1545368.212	1228706.944	1775714.669	841778.355	179168.4076	754158.8597	138345.8614	211791.3526	651531.2842	1890289.776	1912219.636	386834.9011	1531360.525	992081.9973	1778194.448	1211134.326	183096.5019	174845.1972	147264.6273	136638.4057	262838.6935	225263.1515	183674.6409	154578.4838	190174.8325	653059.7616	1016070.304	124696.841	91690.21445	238771.0943	97048.37605	149537.1322	153225.3319	129669.4627	220683.9789	509700.4939	97265.13182	216537.9848	372054.1096	171758.2538	151910.6879	357558.3932	894431.0533	108588.413	618359.1178	557474.6626	283400.8582	214115.9453	106709.2996	370815.8328	219203.253	302333.1906
[6]-Gingerdione	7062441.243	1619164.222	3017221.015	1195368.585	313870.8147	2257126.832	603155.2461	768501.6692	677705.4414	477298.1536	896429.3857	2921351.828	632451.5392	478407.8413	510272.0786	651262.1926	761074.1867	854641.9352	1099110.562	697734.7041	2109603.739	201823.4449	976647.2218	2627477.899	3273551.165	2523417.553	1615414.464	438353.1956	1667707.027	1998628.556	402564.762	342368.5264	487250.9767	1491254.499	1409551.032	348296.0718	327732.2138	356411.2746	431747.1597	278671.0468	291052.6869	211865.8908	1006136.739	766214.0972	217828.7848	622775.3455	339613.7865	202059.2691	545739.5957	792993.4333	1021776.026	1407006.024	1197819.932	1090828.181	239374.111	513939.3509	239307.3493	1210706.437	377719.6327	514873.1024
1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine	16751488.67	27395175.15	29924494.03	12289718.75	20691734.54	21204888.16	24997189.49	16298412.56	27025230.98	14872849.47	19974949.73	13975537.02	25854797.94	22346632.05	20668709.06	22518794.11	14694941.78	18877543.97	38159335.27	31803683.44	19275380.03	7348709.772	14233262.52	27979750.66	9811140.001	14697115.94	15596842.09	10766083.7	11781654.65	11189307.31	9136107.377	13309696.19	12519023.9	14956806.84	10959941.23	23979064.95	18035506.17	19984850.13	13005984	21781021.76	8675752.928	5410747.495	21858301.89	17674886.75	7943207.261	21066521.98	27067647.21	3366943.992	27769891.81	15094346.72	20674956.09	27210034.99	26156287.25	23073400.88	14592212.39	17067368.32	12237700.67	13207037.37	24672196.33	18530610.25
1,5-Anhydrosorbitol	97900803.18	66846447.47	75458763.73	74408251.85	123727587.3	85914541.78	118573897.9	58326427.48	74901088.18	75921012.42	106384689.7	98364114.54	79002958.56	90274362.55	90781511.3	100417801.6	114583756	102472986.8	109994774.4	94289701.44	91873102.26	69231002.76	70820640.87	78633079.35	157232321.3	69219933.1	41647606.55	26772484.94	14722243.95	108438287.3	95221467.05	91079426.27	127913445.7	97607181.86	122309855.8	97047490.08	8257296.08	122803549.6	64946729.35	121236393.8	63384516.08	55872786.99	137739839.2	122177700.7	69003502.94	97634802.39	95120696.96	38724147.45	93232723.29	63393725.05	122985782.5	114574897.1	73788347.58	107540300	112755733	142750068.3	87256983	88791155.76	97125424.02	126868454.7
10(S)-HPODE	832945774.5	146501202.3	244740254.1	50834166.24	5080997.805	163746307.3	58744575.64	40486002.56	3268473.22	2519795.634	43454584.9	107084740.9	4177098.455	9475031.369	7751745.075	7706412.636	41967122.48	62925745.15	17806603.86	13217430.52	185017454.6	8932168.621	49102293.89	111845561.6	25432976.25	26513454.08	10217652.24	4682243.431	12678446.93	9158364.665	2265785.473	1750771.506	5061059.636	9149404.123	25433093.63	6468869.05	3860707.838	4770651.225	4557427.506	4202801.574	2947040.207	6613807.117	15536693.56	7292312.429	3916822.927	7935769.254	11584860.5	8270990.597	13744461.24	17249700.67	4516800.771	24856754.14	25586438.27	27047121.54	6765046.01	10038042.03	7132802.717	28353645.88	10808514.68	17836740.54
10-HDA	56776181.76	32088787.99	31148739.02	10555878.53	4198107.458	19147228.21	25670197.39	12880401.86	21584224.48	18783436.06	14612313.44	23488206.38	4367306.699	4523615.407	5486811.459	5849003.368	6097887.649	5229541.699	6144102.149	21017857.22	19205927.64	3290579.375	9172535.325	9413107.136	44640381.69	42340766.07	19129126.29	7640797.508	16400282.8	18700573.06	6055794.874	14587569.86	2814587.3	6554870.988	6483451.497	18211623.46	2919167.126	2795925.23	2652627.387	3578108.409	1661946.961	1885514.688	16635411.58	11008787.72	9891759.469	15557308.13	25654752.35	5426078.538	5121459.129	3877196.024	2956850.395	3309248.561	8402433.1	7484558.414	12939708.49	11699051.84	9622737.371	9339201.106	7819582.415	26510283.81
11,12-Epoxyeicosatrienoic acid	2133507.582	1044836.22	12274099.76	4806189.759	5841804.135	2490873.765	7935545.84	1088615.614	634353.8287	707244.5106	1651158.965	2533478.66	618043.6745	1774622.869	633514.0963	735475.0689	8367394.399	9082301.928	4110190.634	2690726.436	6716298.346	775506.9648	2007157.634	1278537.787	683835.8145	262773.4062	251775.0757	410573.7186	211191.4144	242834.5658	612657.3356	527707.9794	1039359.039	675917.0517	6415283.092	308972.978	77184492.35	150378842	61149132.98	52649926.06	114141446.6	27964004.59	4528141.254	26040039.53	7451927.554	11198529.35	4000069.93	1974662.235	5677940.625	2831341.174	2554887.445	7509940.596	1726832.907	1446401.375	4217754.446	2218034.984	2973754.413	4883271.951	3641078.895	4776909.706
11-Aminoundecanoic acid	16232773.04	25770115.61	14457982.93	13266710.76	21779947.69	14471900.14	25284206.23	15984658.99	14738805.27	16260718.89	20707939.27	17838792.21	15472083.34	14680514.63	19028680.73	20772530.46	25931050.22	21553118.61	19946421.1	20788063.38	18678545.69	14201129.21	15940625	17032061.2	42115947.56	27357139.68	15247551.93	10451633.89	3303230.603	16106770.92	11986279.72	17200190.45	24286356.96	21931299.57	16031388.42	20867361.85	11577500.48	15351255.01	10982025.06	22280783.95	15825506.2	13721336.03	24267507.64	20729200.73	16320865.6	19129560.49	17327137.24	12852654.69	12815839.91	13675432.76	19338775.78	18630275.86	12705017.9	17879807.89	21848960.47	18734718.39	18384941.52	18420065.71	17750614.87	16400912.34
11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol	3203593.048	4992371.997	3105398.243	1721677.613	3179063.445	3368662.147	305774.987	266048.6934	267542.1325	253903.4713	266058.25	4587095.781	1079563.557	197748.9885	945951.7962	1200238.143	381803.6018	213003.6395	670209.0128	273195.2963	230765.0561	161226.4619	265435.4254	2854477.833	16798958.24	23458073.08	15629414.67	5057405.244	8216219.042	6680828.762	238217.1088	261483.1089	321445.2411	2297208.672	768324.0095	310947.8068	1757861.85	270743.4771	270532.8197	1176444.438	342291.2086	231342.1041	9121853.255	4351450.214	1748506.705	3921453.175	10066233.02	1379964.309	8854588.435	5641345.291	3826840.68	14046116.99	8152241.562	9518978.733	302891.8211	289057.535	259097.2937	3938605.487	262506.8214	266387.7802
12-Hydroxydodecanoic acid	56428483.84	12804615.3	12946415.72	11205061.58	8537918.602	26164303.91	13170916.93	16011466.91	1808654.877	1402184.295	18391971	26075569.95	1239935.105	7461574.675	683192.0264	547015.6837	15186600.3	27594188.88	15896092.05	4535666.226	29297636.57	3522416.183	11684109.93	15943597.79	673586.0689	133858.4616	202335.2879	356375.3418	764538.109	153086.6347	4462246.406	908143.0254	2378802.666	1306644.374	7921355.929	833981.2455	1190917.39	7141281.069	4463987.063	3047738.746	5682575.99	2304738.169	339365.0125	3300208.576	610961.3135	1122602.67	771676.325	291537.8009	891321.854	1273051.345	2106751.075	464279.1967	2801869.223	3017867.213	4813612.166	3643614.491	3085255.051	3931281.874	4751493.209	6573104.532
12-Hydroxystearic acid	9638388.29	4459045.625	3344932.349	2876103.383	3756359.725	4664257.213	3898418.746	2685464.259	725796.1629	909902.4039	3107011.277	4110809.678	1809996.584	6309336.469	2380033.181	3406407.437	11015415.17	22822663.21	51597920.23	11892570.94	90508636.29	11767078.87	27358598.42	32889104.34	1921094.711	2637874.819	2198056.185	649763.997	75031.90053	1719489.597	1338037.628	800986.9821	1194038.455	1310095.704	2209074.802	572425.641	1900876.78	2839107.338	1488104.181	1059572.157	1878626.772	962438.1667	2405356.172	9571284.296	2939411.343	4348886.915	7820110.322	1568356.259	1891726.846	1704051.442	6664543.208	3194945.328	3051850.802	4130159.067	1432825.322	1322217.217	1413812.571	5642033.398	1903329.924	3683720.761
13-HODE	43858412.51	20426628.44	22250312.31	11109846.35	26523269.48	26944746.76	28085076.18	19819522.47	14800123.35	12769760.29	23311208.61	23913967.16	8885317.964	18888801.24	7592064.017	12579551.16	45902627.06	38974421.98	23212562.81	20525090.96	42527080.29	9001132.975	24265443	27154653.93	27330682.02	19648619.28	6623188.834	2627030.58	2902118.122	13594394.42	11665009.99	11791520	16523479.58	8140153.69	20376527.07	11715703.64	10346454.24	21276473	18251050.37	17144286.52	8790728.39	9089630.499	25788570.17	19590152.91	9949141.301	14993682.71	16337719.77	6431425.822	11699280.76	11641028.95	9745052.74	10891489.41	15379433.26	16594600.99	21700892.17	20478826.78	27404144.17	22662700.55	28895771.94	50560114.61
15-HETE	9242745.266	3913462.138	5904138.938	1912027.068	1038809.47	4784766.125	2414373.918	2588846.111	207127.2355	196110.1335	2277389.406	3712341.823	223949.7762	889040.6095	264447.1431	216029.6479	4569799.654	5457138.361	2527920.063	1241195.665	17815581.88	609334.1173	3771080.122	3544721.398	219834.1065	238848.6981	219895.3737	205917.454	163145.021	234269.1727	543430.7061	256063.7458	766057.392	406240.8688	1393716.522	187000.6668	7995297.418	10520998.69	3771666.398	4744096.226	6174138.68	2485355.117	753444.0381	2816174.489	628292.7329	728687.9804	608977.6202	166655.913	560990.651	475782.4127	327485.1379	864383.7109	415594.9863	548602.1736	920701.1108	793963.3396	616517.0543	1555337.803	929470.3663	1990409.68
19,20-DiHDPA	73687532.16	11808670.47	15892341.17	5347420.834	3999609.772	11371295.77	7712310.846	8108274.298	3089322.153	2616454.115	10971816.56	22975351.17	2350499.86	2453635.111	1917664.668	2179530.755	11863143.19	9195366.431	7045127.906	3128320.592	18504666.01	2791775.283	7283171.686	15735808.05	2975774.137	2963988.929	1524915.92	1356091.506	1711943.648	1301090.6	2401306.768	1828280.523	3425491.69	2434111.766	2846960.25	2540344.866	1688211.33	2176296.154	1822725.644	2583876.064	1618844.05	1401937.054	2768840.096	2090467.262	1088925.052	1745258.858	2224470.08	927783.2418	2431167.527	2465669.239	1986351.036	3039150.371	4474314.186	3662930.83	3221086.252	3137989.533	3425319.348	10968019.6	3037063.289	6678681.385
1-Arachidonoyl-sn-glycero-3-phosphocholine	4875829506	4343109257	3330319336	4181517930	4446847045	4650040982	6475578784	5353177807	7060711874	6046162488	5990617207	7862160092	3154375244	2613676085	2037261341	1983990737	2843486382	2505153830	2763608322	4810884650	3390984471	1672882785	2412010123	1781519410	1622642074	2273443611	3769970647	2672557954	4321357112	4085992699	3906337679	3944831096	6373202702	4506143386	3797169273	6333107122	4911655718	4522067523	3461502405	3078493351	3151051936	2394065893	3280532448	3690094660	2147726207	3164701602	3469904043	1290311447	5010068796	3475431478	3493950273	3946874576	5321190736	4839536891	6242376353	6277264974	3955185547	3573249609	4793360080	4958862302
1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine	445745620	583245432.4	784393663	409393734.9	530961757.1	508909698.3	799114161.9	477211292.9	576777244.4	542462932.5	531707960.6	529559991	837605140.5	563523279.2	697852760	732974623.9	610561898.8	631079255	1218803572	738330677.9	657490230.5	418266520.2	587670723.7	844155658.1	533688936.3	534893924.5	403049247.9	307354062.8	367000560.1	501632675.9	404558346.4	418900077.3	546241642.7	469634908.1	354640823.3	614456857.6	385838255.2	518424913.3	349635966.9	468603559.9	343067151.8	323393579.5	594001534.4	583812110.1	400957149.3	525189073.6	788403796.5	265118975.7	601956913.1	418105497.2	404810879.2	562716980.1	548086254.7	509255846.7	540940801.3	438596498	354278632.9	374626615	375351112.9	361109160.6
1-Methylhistamine	3271085.44	4895498.211	7789641.774	6954025.731	5050834.408	3782618.892	3619316.569	1580484.247	1892622.598	1234642.193	1888842.208	1570246.386	3098680.135	2447517.542	3013412.149	3411268.832	14378608.69	27980199.47	13708941.15	27912250.82	5691621.364	18572322.25	18094814.4	13319266.91	1042694.782	2318594.337	5291597.694	6052126.561	1575995.493	6484777.36	3058972.843	1294167.465	4014013.493	5738625.227	9451193.161	1526645.061	16501424.79	12216919.44	5306122.863	13107745.94	4963014.688	4562991.161	12867192.52	17859278.53	13456584.8	19210347.43	24869313.78	10880565.54	20044533.66	12382616.36	12988685.41	17348425.44	18388936.67	18200650.96	10625416.8	10280810.06	6967106.9	7579874.138	9954798.215	4517256.483
1-Octadecanoyl-sn-glycero-3-phosphoethanolamine	2478718334	2994057928	2999305672	2226430232	3171178230	2746500122	3118812946	2702813468	3197173478	3002469494	3015532151	2576144381	3458240594	2749264438	2797202212	2936771315	3078014120	3104161344	3878116827	3440063991	2728386932	2300183870	2962290990	2550788807	2761569545	2888454059	2744815550	2465741392	2170477077	2560871259	2981073797	2863540629	3215633684	2593354134	2727432027	3692698661	2609086371	2937396440	2443895888	3228754126	2137142886	2248090525	3396559217	3389659061	2398142172	2967729607	3387091589	1920572014	3196189076	2670468419	2856177065	3350179636	3014244136	3049423862	3179427572	3034246365	2681978398	2775789414	2994274786	2849226758
1-Phenyl-1-pentanone	40189103.31	24725154.21	28891028.82	21476570.02	18018077.53	17245229.68	24292089.5	14312739.67	26304818.5	14272583.79	16760960.41	23125814.96	10052422.43	11941556.62	12862712.47	14925426.69	11685738.3	14641847.71	13129623.07	15731658.9	11964911.63	5413919.632	21555202.33	10798512	12947280.86	8463352.091	7192756.894	5431753.087	4427628.265	12350717.66	11076921.19	12016741.44	14164273.43	11521436.03	11911664.05	11177909.05	18597250.45	29602161.41	16020143.81	15290061.29	15220531.2	14786481.09	16049915.57	15384933.03	14274351.26	19765071.76	25642328.47	8870227.683	7647796.869	11056322.45	10451629.62	15189139.09	11256711.8	13226259.74	21153526.57	11049684.99	10732851.93	12814037.08	8474209.065	13691118.5
2-((4-Nitrophenoxy)methyl)oxirane	5300126.916	1730912.028	2893608.682	1444567.353	4419765.394	3328288.658	1787389.509	1380823.752	2003152.489	1437409.217	1651235.464	832800.8635	3983455.452	3451343.795	4480672.763	4486724.498	1515454.826	709537.9475	2386341.228	2234935.225	1267129.432	1436241.404	2168162.787	355546.2022	407904.1307	190706.0299	925622.6276	242435.1382	669287.0769	2040393.82	703521.9649	3103519.753	764162.5197	1112589.393	2243225.767	2991431.214	1246963.695	1396171.462	1037085.245	2162215.661	496163.1959	603223.4784	2337471.417	1036981.431	644796.3084	1010840.961	1549812.974	841876.3429	4568831.433	7944554.75	6674514.502	13173216.3	7342004.794	9004292.578	1663372.743	2126246.464	2394675.087	5256049.626	1609285.289	3767746.653
2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid	98067551.6	50479071.15	53028090.18	67491103.33	66979297.94	59498206.25	36196819.92	20895335.57	60870945.51	49416041.07	25195463.63	29318548.29	50739713.2	27854711.38	57248344.87	56520889.76	22220361.01	18000059.14	27499328.58	37943232.64	13244286.19	10581513.82	15407873.45	25285733.88	74532174.57	67673961.07	22157464.44	6051081.16	8181394.2	18411249.79	17001539.35	49418882.61	24349121.99	22929596.85	14498043.22	36146698.26	21436068.93	28499739.16	24319432.62	19819193.34	20177294.13	8612497.812	48188350.95	28334471.65	12912788.22	17130190.51	40132416.09	17537307.55	153756970.5	135287788.8	72560021.9	263559591.7	146194222.9	185685660.5	26884912.28	43003913.23	27052943.74	85259594.85	47635299.51	82994510.46
2,2'-Iminodipropanol	107416075	83252208.97	58519387.26	62228893.77	36538615.18	79620531.04	31513965.47	23895752.76	44268967.85	31437361.56	22711134.78	292853736.7	43665732.71	63022121.21	36266080.67	55805700.2	53186765.19	32122352.44	97682681.49	322462542.1	39623172.14	57066266.78	57963531.19	180340736.1	211663742.8	150507026.8	802019382.2	296472572.2	149441772.7	365021898.8	10735397.07	21575704.32	17539592.06	282028803.8	374591768.6	14813605.75	25752278.24	42450334.88	16952816.57	44516314.11	38612300.2	17516887.55	690117407.2	161262348	194114437.8	383040156.6	665926865	375328012.7	284852565.1	268954859	113251466.7	499893680.2	281340347	292035891.4	24820366.07	22002474.63	23801884.36	429335148.2	15491546.67	33809154.62
2,4,6-Octatriyn-1-ol	606406842.1	204962099	526356300.6	303777727.8	389351377.7	338392973.1	517570074.5	519389005.1	530645443	483911338.3	629817340.6	305857016.2	395332237.1	239670041.2	779902133.7	818106083.8	226478083.6	218210928.2	301640988.9	378785450.3	264623847.3	167838559.1	255549020	201623003.8	752372258.2	634355414.8	214185283	107363372.3	78574945.45	324961866.1	219218080.2	383229965.8	259214359.9	190398962.4	166115452.2	307266476.4	339350677.4	332393447.1	234544280.5	292031745.4	220239389.3	153784219.4	482984034.5	262005186.6	248399072.6	326601541.6	399465784.3	137127843.9	605234736.3	456544998.2	261235081.5	543281521.1	557725509.6	547142503.2	251779706.6	352454223	278446124.9	383750288.4	249827526.9	343915960.2
2,5-Furandicarboxylic acid	68647671.01	49784987.44	25062659.03	18656736.86	33803073.81	44667503.26	6132954.946	24482314.47	9982989.256	5891632.462	33695213.26	11356624.51	20320603.57	17716471.75	22746110.92	21740508.23	19951592.62	27467073.76	22626787.04	18949580.58	29949416.56	21272826.24	28308653.46	10019358.6	6243155.94	2697199.599	1492713.888	766174.3176	699322.1001	6810366.608	4237607.627	8579659.578	13734622.76	8095735.547	7605714.514	5530208.778	15579725.34	21182369.44	17509995.29	16104929.05	13949466.41	8450412.509	15917680.39	11582320.47	7511045.114	12380998.64	12603781.72	3888148.128	31688937.49	41185398.23	27367388.57	51946630.74	31324380.82	53711269.07	12427748.97	12162406.96	8823082.625	27870599.86	13160020.86	26421056.92
2,6-Di-tert-butyl-1,4-benzenediol	7987666.938	15898340.7	3541211.924	1004676.536	4339397.247	3618167.164	17966899.07	8073123.367	2303830.212	2366645.014	10129421.66	2003180.389	960063.5784	1676843.36	1708488.2	1577432.237	5120200.533	3184718.95	992377.3797	1729169.071	3406050.01	1470996.818	2964552.147	2467470.717	2400998.515	1746817.312	1245594.744	638052.6288	795080.7973	2015275.898	3195487.727	646162.8304	3730758.776	1776574.458	1172472.606	1658860.801	815648.8938	3165357.694	3814881.399	2654985.51	1261157.236	3182009.488	1177931.412	1055575.195	894917.9927	1074644.46	1362605.548	598617.3912	757042.1669	536849.0194	1084960.401	1285345.138	1892907.016	864330.9415	2055200.222	3418182.767	1265654.616	2294495.598	2224227.624	1643343.88
2,7-Oxepanedione	1601097.943	2395660.391	1174918.959	343327.9874	1492672.255	1051960.653	1075512.566	569824.1901	1556336.104	988974.6432	877852.5502	537765.7717	809025.3335	2532739.274	591163.7903	879267.3081	3235004.379	1062876.386	1392813.767	565653.2387	1186689.872	1051947.405	1640899.413	435674.6278	511361.9771	807584.1109	1462896.336	1362384.291	1211400.637	835142.4631	306202.0616	634271.4313	415899.9623	542128.7664	803547.2177	560166.9508	677378.7124	518269.6635	674276.7875	479474.2748	650550.1712	107773.7813	642026.8736	299039.9153	214668.094	830223.3498	880057.358	495076.7935	503366.973	720962.4995	946499.4588	890265.3534	428175.227	503516.2178	393070.3724	362527.3527	374266.9316	294053.4326	347220.0645	1990361.811
235BBF3K97	6852310.639	11349794.18	9880488.806	9467363.944	18007195.43	10220023.54	8647559.699	10719273.38	19752476.18	12979480.66	12004401.73	8232512.548	21606988.32	13903523.76	16113364.92	18559451.42	21167223.81	18412094	14892566.95	13785943.37	16420023.25	7887678.903	8943476.406	6280067.493	4701006.398	4232793.387	7338528.719	722106.3253	2219822.519	9888794.17	15034388.44	15233550.03	19443375.81	9689115.24	2834436.145	14923158.71	14986470.66	17339519.8	13696272.41	14974851.3	11456562.51	5074471.764	13089415.23	11686364.82	4333693.391	7415944.403	11105517.47	1143810.234	12272346.29	9572729.488	10129635.14	13765045.81	15723165.79	15808154.43	17103746.36	21934169.78	10784582.31	17163761.88	13429036.56	22950602.93
2-Aminonaphthalene	27902902.42	34014445.08	35881598.18	31704975.84	35551180.3	28254564.69	27630689.54	17330859.74	30498255.42	25949778.65	24108453.37	39206248.74	19828625.58	14753979.74	34783523.65	38039389.21	17536985.34	19477477.94	34649249.44	39631690.82	25620302.41	18117840.05	25198765.88	15547330.47	70860228.75	62447719.08	29918192.66	16852814.05	17990067.97	40370194.37	26377941.77	40750737.97	32515488.1	46119185.18	32314270.95	30626341.77	37733214.24	27174987.32	23542694.14	29113775.08	17494863.35	13734348.63	107872895.2	52359155.69	41598751.77	60091341.53	82257874.52	31603355.87	50708482.15	45429115	42010030.16	64819533.81	66184313.98	70193167.2	34072469.1	37246625.18	19340171.39	34080458.71	32275921.39	46199617.76
2-Deoxyhexopyranose	291642.5415	348501.0566	274930.0324	261314.0201	289630.8048	262552.4337	291059.3159	315251.8292	290623.7058	276150.6439	995909.7112	261422.2594	269242.4659	252931.2274	299904.5541	321627.3905	267585.9447	3198785.019	888702.3928	388110.9717	273592.7185	1125945.659	1145567.407	253505.6547	320262.5344	323159.4118	275309.0287	297899.1127	324467.3311	253991.6565	207603.3522	232101.3169	235605.6583	216140.2149	230496.0315	232476.8941	397553.4575	257484.5924	658472.3272	277586.2637	371143.0371	393598.4458	307120.6115	228568.1256	270680.4517	261080.9647	254989.8274	206999.5154	265585.9436	251240.4222	269188.5151	289102.5811	280624.157	275971.1807	247447.4107	254786.3405	230211.5026	255467.6562	745293.5641	301247.0583
2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid	83342976.24	55668160.2	78087729.73	53079429.88	84731107.16	67130148.28	113098592.8	63517858.59	98911984.34	82166882.59	76205773.06	24165855.4	118232283.1	57719269.95	120990930.5	131912871.9	41788824.22	38511881.25	58029620.18	115188472.6	31394551.85	29178446.39	41351097.67	35707258.12	22699794.27	19388959.34	16923483.5	4753086.226	3363891.88	25935307.85	15447063.09	49106571.08	23691225.61	14040752.85	13563937.44	20410152.52	37437527.65	41460230.42	26218904.23	47131782.67	18187462.49	15003254.13	34980105.77	32250512.1	15424477.99	23775321.95	25529168.11	7842316.584	148504029.2	122862893.8	82085591.22	257310244.7	133201516.8	148064210.3	24030285.59	30367238.14	22523699.68	73084576.18	37069357.11	65376014.31
2-Hydroxycaproic acid	23797255.5	105164526.6	31702180.54	15272228.33	76652095.48	41340525.78	58356627.72	29098530.49	38082224.49	39538968.66	37466406.75	28559840.29	73354168.41	79418246.26	52977027.55	59381607.43	42700555.62	24653539.12	21601507.31	49669843.74	30852373.17	13999678.74	25769397.98	15625754.06	20182405.56	16310743.89	15998546.16	33405921.72	2673820.029	36009162.91	26054565.41	32669110.76	45807464.8	14849103.27	14202661.98	35913029.31	52283509.81	54827620.99	35181898.57	96652988.02	21940768.13	33656391.09	24030248.29	36104949.44	36027001.68	45612660.27	40597189.16	11708320.44	59619903.11	46769605.19	28981698.03	86061996.65	50028434.87	61073782	32275619.14	31605874.91	37912018.05	41095516.44	56659997.18	60256425.87
2-Hydroxycinnamic acid	3651579002	1261673447	3387991545	1812781867	2474060970	2097648351	3309204732	3273455003	3807421255	3161309462	3714084591	1966914222	2637855968	1532676191	4854218796	5313418056	1425281802	1471589968	1934708388	2310298540	1706050344	1140932389	1633229765	1278960891	5293773635	4734472843	1757705807	1005495123	701666740.6	2397315389	1435389455	2366085547	1602639255	1439273642	1083366172	2058991175	2183410419	2119956928	1535686554	1928774311	1405424920	1016666760	2990423271	1649660034	1600865992	2319562084	2694085444	867428673.1	3748671544	2972763816	1760248650	3540447851	3536604095	3634099246	1578728496	2158437944	1735211401	2620414566	2112436937	2243757027
2-Hydroxyvaleric acid	39056311.77	36412885.12	79863855.08	25291523.38	138068540.1	64363250.91	147185289.7	65847900.89	60495801.56	46729449.62	87564273.02	27404908.72	141253345.2	100718710	157440047.7	115773558.2	97661957.64	46560711.13	36378522.58	64350966.91	40011989.07	20373332.07	31687875.69	33879570.3	33339687.35	30895781.13	19210439.37	5217377.224	21346586.41	47561267.04	59214403.8	87759655.57	99974502.22	22101479.85	27152302.43	58436504.68	134231617.7	133126260.5	70321877.29	291967922.9	64137645.73	90935232.12	44915234.13	66825179.86	40933873.3	64953255.12	44985575.79	22163195.24	50416551.08	54938624.16	48447462.96	108094436.9	49064450.94	62885153.45	57880577.4	59380099.04	77832131.08	43865024.92	96486366.94	109216216.2
2-Ketobutyric acid	122553908.8	179913676.2	130568958.8	67648552.6	202721370.5	91404859.79	88295844.63	70240355.33	117543443.6	105580134.8	81126200.07	62664491.81	109580302.9	251326649.1	162454966.2	143471744.1	73742150.14	76423731.19	96347317.9	203236590.6	65410651.67	55690118.2	46247128.73	109113094.7	107567860.8	84894904.92	106540534.8	65547644.53	84529821.01	80781974.5	38534657.28	102772007.5	62380499	74045777.5	61312212.58	84338999.65	193694150.2	70647271.8	99809536.29	128515530.7	66151462.97	63128278.19	103062637.6	199765457.6	92842724.26	103529538.8	107216563.3	62085697.18	154617445.9	162296079.5	178732557.9	122624733.9	133055595.7	174264251.8	47312131.18	71753321.89	46982536.81	60473968.3	68209236.13	59766353.8
2-Methyl-5-nitroaniline	320534947.8	414255282.2	190380420.7	94900419.9	122985939.4	200300616.6	639442738.6	77549121.91	103533672.3	89978503.89	110945345.9	81418389.97	77146588.32	127435391.8	60182494.66	67234820.48	146916239.4	286396708.6	214293947.8	125393217.5	251898227.8	154670493.3	241588121	158421364.2	106619271.8	101443881.7	75106502.83	22136744.65	20549571.85	51011584.87	46055410.26	50622967.88	51505904.87	56988845.97	45013347.49	76966544.46	94876672.37	86849636.04	56346145.07	86843020.78	54894675.68	32484575.06	58406822.31	130370891	43445744.42	70352395.63	58401679.67	42116604.77	129105528.3	164946160.8	212505292	234288700.5	166464121.1	144229123.5	41286582.69	49673171.82	93512221.32	161605657.9	38622604.41	144439682.3
2-Methylcitric acid	17588198.91	10519794.92	11255152.51	4758214.136	4811367.779	9543063.485	11013488.72	6308412.697	14446419.17	10836907	7260718.839	7321553.402	7819345.158	3649299.22	9398677.947	9008524.903	4933561.508	4081335.839	10611224.72	9560283.898	8441640.877	5848915.019	8818922.538	5972700.3	4871791.978	3941706.555	5391599.148	3164658.781	2176499.916	5600325.041	2589822.315	3263252.29	3166687.949	4095523.753	3063940.217	4168734.249	1669154.118	2106599.9	2109907.37	3103902.812	1055154.971	935523.6224	11160978.66	4909064.765	5596308.365	7365399.245	10828490.64	3676766.034	11536907.64	7778241.453	4572217.101	8975626.435	11860816.93	11892762.39	6275117.058	6054837.194	5405996.087	6975199.898	6787512.419	4191156.87
2-Methylthiazolidine	21333059.63	19350257.17	29369916.53	15363845.14	28855511.98	15454740.39	32195385.99	21478423	35175949.56	24840353.49	24192165.42	21686050.35	24234982.63	19350484.28	31487700.89	35796090.86	9103926.946	6811025.553	13765981.45	28967840.66	10746928.56	7169103.095	9841678.115	10580304.18	20121138.56	19528600.33	12062525.27	7485118.793	3780070.405	17641130.52	17735623.15	26156816.84	14189256.44	9759914.773	7312532.725	27060466.89	18684330.43	14083766.79	16154402.77	20579314.99	9449462.126	13248793.23	31249437.27	15739426.02	14751473.61	21397072.65	24791327.85	13245497.24	26010161.49	19807176.18	19789905.44	28226994.96	28224104.93	35832800.81	21032950.17	23268099.35	20940214.73	23992719.39	20660937.65	18472432.7
2-Octanamidoacetic acid	47323720.9	14065424.35	21970931.88	9271528.621	13423069.16	18141283.41	31725624.23	40928676.43	19354897.66	13976386.1	49422193.85	13460061.23	15007526.18	32524218.04	17335838.06	21573085.43	46560765	37595330.97	15741994.35	5656199.951	43682704.14	9402314.289	20291687.17	13127122.82	1149221.221	1607024.253	2000266.224	900716.0234	1064656.971	1638043.467	39848816.63	6309850.287	37958246.15	9279032.199	17096748.9	15144354.58	10093325.05	19522202.76	22275133.9	7308970.8	30129540.4	10040556.36	1356535.211	4249467.13	1496619.448	1766014.719	2125575.905	854391.7891	2601788.387	9236733.938	3360626.429	10605920.81	23793939.45	14014818.2	20622959.89	17157586.07	9541148.13	14874582.31	28021220.68	26246607.59
2-Oleoyl-sn-glycero-3-phosphocholine	4345806256	4603685478	4321194050	5103401058	7405157331	6001993482	6646370243	4902992920	5457371299	5052127133	5456321459	4446286115	5768642164	2737928022	3368864257	3634453620	3499969399	3365793737	3792900881	5396051310	3286172962	2128892262	2950756490	2683954382	6819300372	8013529168	9707321322	6417326799	5785340720	6411951072	3064180691	4005525206	5784888261	3699296837	2489933019	6035184779	6903142869	4635082614	3853689167	6159663770	4316227018	2991786097	4649145266	4602243039	2734020183	3810844126	4760688416	1753626712	5825136907	4451354269	4937836684	6155951395	5205390817	6549523692	5442497829	6583930402	4000790394	5268104090	3825472194	5682584257
2-tert-Butyl-1,4-benzenediol	18888938.48	10665461.3	6249189.267	2832361.01	4090154.323	7310500.605	6219454.243	4379305.955	3756728.963	2665147.581	6893014.194	3601380.3	3004287.806	2892684.128	2664907.164	3612339.12	6699604.3	9837697.937	4594084.858	9837278.04	19380434.05	6246290.516	11656966.43	5068144.56	2631488.846	2256090.087	1390674.224	1283177.968	1566617.442	4162626.979	2247156.53	3619729.741	1834975.166	2607850.208	3013714.943	1315659.907	1827864.036	2434503.327	1862295.126	2445527.307	1845497.871	1560423.013	4960166.461	3962061.163	2732831.416	3843082.755	5415865.723	1737882.306	2317233.653	2294713.781	2283355.3	2319909.456	2714522.167	2989107.784	2573254.836	2913122.692	2143249.867	2898286.44	2073395.048	7467398.73
3-(4-Methyl-3-pentenyl)thiophene	617103802.4	448203843.2	586390681.2	382235013.1	373808215.4	449514313.4	548078475.4	319519083.7	643803621.2	530153548.8	464075139.9	439219582.2	444822392.1	303331321.2	617722330.5	614438239.9	418937145.7	445119700.6	391687515.9	490314976.8	463217317	250482172.8	402356191.6	296240556.2	777802072.1	652752929.2	360525995.5	141341550.5	148114334.6	331145737.6	258017026.2	424128747.3	395300166	282787655	248728081.8	426690364.4	326498513.1	338235680.7	273083890.5	304417621.7	204948605.4	145484827.2	504739549.9	313263539.8	227752098.7	326243309.6	459727034.2	160389781.2	561960389.1	370086590.3	370343042.9	629039432.7	575720570.7	528113947.5	394883656.6	361117168.8	313267846.5	409998027	338735765.8	493681940.2
3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl	29413270.99	36599313.61	27815778.37	4109083.097	20189564.05	19485957.63	12021706.12	7286883.76	8858533.884	4982807.971	12018007.51	7925245.05	17982387.24	7902436.244	23021109.88	23663947.12	13605067.01	13689294.46	14513176.7	27729819.02	7961126.18	8716610.621	11259549.88	14149250.42	14685931.93	12752375.98	13461895.63	2700556.483	2974653.751	5098356.121	4150099.974	21599438.71	8620464.541	2275570.045	2195945.844	21179019.05	10859610.36	10165257.97	7778373.876	25845871.52	5121722.016	2054327.304	16508540.51	9014494.866	2884574.172	6113606.284	14714227.05	18932006.01	36011238.66	37804952.83	19423944.59	78970616.06	47037982.35	46236024.04	7611691.38	8076035.462	12305068.48	25441999.36	10939746.27	100697942.7
3, 5-Tetradecadiencarnitine	21775218.76	16139621.36	8639723.655	7216658.782	11621702.57	15212644.16	20018623.41	11978287.38	6449566.99	4665960.742	12046070.83	4059474.121	4217523.551	11330714.29	2916447.898	3992207.547	22372158.65	35782972.39	25561461.83	7562792.036	36282752.92	15643548.41	23281445.96	9147919.599	516746.0132	978741.7264	1684816.153	402315.1755	2998630.485	1671191.245	8395374.851	1974135.965	7286496.077	6714200.841	25561754.34	3162955.233	5132496.83	14503629.43	8137447.08	4750429.854	8017462.719	7873027.547	1262509.411	2614993.1	1614087.018	2524306.94	2493720.756	827090.1528	2396331.832	3257232.494	4326812.754	2379697.272	7629412.739	6126691.028	10974705.66	7141705.759	5185102.619	5079380.784	8631202.156	8972053.84
3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid	2662019.122	6637446.874	2746611.283	4814007.788	3230122.455	4178482.062	562941.1587	544852.5946	532587.1674	501876.6298	532516.3667	5695888.823	1663822.24	498303.8148	1127574.85	1264474.604	1507150.87	695952.2697	1413083.353	578452.1289	532137.2559	453448.8239	594164.7296	10431401.16	14226436.17	11517678.72	15583509.12	5092601.437	6961130.295	8704849.29	525006.7673	506600.3313	590335.5412	4663136.211	4378513.915	610557.4518	939989.8753	564822.9705	490053.4574	913455.8325	543060.8848	516198.2155	6301289.614	1835109.519	715129.6022	1821269.731	3173199.3	1104512.232	6253536.21	5705865.514	5437307.011	8711938.336	8858866.685	8549544.988	592828.874	579844.8845	534877.7578	5078372.973	576421.078	521214.4106
3,4-Dihydroxybenzenesulfonic acid	114577623.3	19711613.81	132383524.9	130233443.3	237080462.2	119931309.2	89884714.17	75591801.2	333601475.9	304234895.7	135812791.1	224269264.3	261352261.4	214118972.5	249119527.3	244640608.9	19767284.84	15719604.8	89192017	154633104.1	14312073.15	44290700.8	42530633.19	33589249.86	244739052.2	228042521.6	68672701.14	19787700.58	12819407.9	77950025.05	21056226.36	56797641.37	11543129.71	65438366.2	66680750.45	84204832.4	98034733.03	76890911.19	24863381.62	44089094.34	18108128.56	12072617.66	120421337	48656030.78	85972954.02	147508023.9	187303839.2	46731541.39	267232032.9	271500153.8	162450301.1	740866692.1	262330657	310080408.9	52306584.93	18857698.04	57071004.57	262176477.3	39695605.39	162465124.8
3,4-Methyleneazelaic acid	6558799.117	3251207.702	3520507.939	973669.3256	1397674.643	2641146.774	4165728.987	2443708.503	679105.4616	871269.7429	3282140.835	737666.9297	838225.0112	1182316.508	1206158.668	1011972.164	3587966.467	1050491.214	651332.6164	508043.7171	3238902.959	754057.0785	1568882.691	1198379.596	355059.1153	218791.6798	572172.643	110785.7755	190055.8891	270854.8804	920171.6561	417422.7134	772237.7916	644507.0308	526008.4635	686116.789	420958.6407	738023.2007	1083235.229	463950.5717	806595.7145	435710.8395	74625.6272	198196.653	259661.8667	251635.7699	312538.556	111969.0065	303701.4039	261370.4673	169006.6199	229051.5844	495205.6801	603478.1227	902233.0498	1337430.062	862769.3868	975112.458	771463.7383	1003266.165
3-Aminosalicylic acid	52755375.77	71611281.47	31047555.24	20290378	27354813.15	33618903.32	79719004.85	16231340.47	17411665.15	12175009.77	16969285.83	9257849.81	14523475.4	22043399.27	9457206.896	10477631.24	23145100.62	42422929.27	33883617.74	26312924.17	47748013.28	28606144.29	36052560.54	25577266.8	14168956.8	8858991.483	7985631.784	3207249.207	715109.0259	6758288.646	6659551.236	8912887.656	13938797.09	6551607.092	10743952.13	10991136.1	12297647.44	16726270.01	9687503.908	16546189.31	11002840.13	6700509.901	7861249.642	17852166.06	9399251.891	13164721.36	7688923.532	7354741.875	19844682.79	26445887.93	35278923.9	26304681.41	27423261.42	20506598.84	8987876.649	9968116.812	16729213.15	22126512.54	4829632.461	22465453.16
3-Dehydroquinic acid	7029037.286	5093335.723	10866607.87	3211045.253	9887689.281	5145168.198	9522807.488	5941958.674	8362988.246	3896000.057	8485356.089	3029879.978	7230674.112	10948479.71	6626509.176	7335708.473	15273069.95	8380040.946	9467963.375	6778507.982	5568621.907	7137852.205	8798509.364	2271749.179	2619943.086	1490287.059	3060393.057	708792.0241	297808.4321	2265874.804	3869229.094	6881614.27	6037994.537	2056463.179	2439377.803	4491622.759	5446903.546	3826532.405	3024516.566	5557882.365	2822968.239	1833812.319	3192892.934	1875676.985	1476838.782	1888911.101	1956670.228	721395.7079	3838073.516	4471289.728	4212598.263	6416782.547	5436701.543	4750953.344	4658485.711	6301707.04	4809419.69	5847135.12	4339849.502	7845196.109
3-Hydroxybenzoic acid	2835476.383	1552452.936	4191580.481	4464394.138	2124079.691	9292558.433	2497084.206	2478950.873	3971238.025	3454326.761	3332881.883	5757253.655	4702564.982	2100082.313	2590501.56	3212909.422	1647703.788	1808662.723	6410358.781	5714892.231	1721283.391	2512673.859	2348156.911	5891933.002	9108551.788	10680416.71	8162253.984	5116896.007	3720958.517	8015705.406	1173159.29	7314202.647	1234784.941	5349082.362	27370652.35	4951509.47	2407235.733	1607962.091	1241332.674	1982287.11	916061.9709	2245437.334	11383697.75	4165770.701	6651491.844	9216022.487	11195540.76	6108649.533	5035725.866	8921512.609	9165245.155	8975710.717	6886646.971	5224439.796	3399169.329	2901804.302	4339553.055	7846721.59	3632948.867	1665619.388
3-Hydroxybutyric acid	648397761.3	312567874.1	206782008.6	201344533.1	98878078.44	548202682.4	391012572	475600467.2	79492068.42	69751611.08	592941972.4	374810217.4	33871995.34	140774842	28427660.77	38151329.63	160227279.4	726572550	272346387.7	45775512.8	1081522256	109486163.9	463869396.9	98990902.22	45079938.88	18767737.31	24881824.68	9508473.617	18960643.8	49557650.71	236768121.6	29687965.74	174894611.1	314797346.5	787935277.5	13446060.37	49101962.06	274592092.4	83082905.4	27856588.33	286633458.4	77753841.02	63558704.87	19170399.79	60814452.36	55817212.37	44765425.03	5747741.736	68780612.6	57122105.91	45469132.74	49639637.89	55196726.87	44991774.55	122519725	80794231.92	20150720.78	71178232.32	100705058.5	50253087.62
3-Hydroxyhexadecadienoylcarnitine	9486117.681	6910021.362	2969950.278	2064279.382	542071.1186	7662953.554	9974897.306	7002459.222	1014396.622	499952.4372	7477659.354	1860423.666	463709.3688	2531596.784	371699.221	860572.1714	6917190.473	5424480.53	4488201.561	1131951.523	11922624.6	2718802.717	5596614.52	4430932.645	524354.6595	428265.0126	271202.091	248674.6556	630030.6422	341930.489	304521.9488	283743.1425	484094.6374	884997.4551	1858610.858	355910.1076	365965.6471	1332275.57	687875.1887	395703.7303	694683.8736	730369.1062	330562.6976	366044.1393	239916.9982	350827.695	347303.1671	206480.485	379669.7296	272596.0945	440050.7234	748615.8695	420147.5792	531771.6728	664021.9437	928281.6934	499199.464	1227481.638	716449.3142	816397.0542
3-Hydroxyhexadecanoylcarnitine	38022313.41	31363400.93	12175418.9	6986003.861	2614525.969	40174310.45	20949304.08	34420410.44	4038186.37	2464043.355	40673164.86	5297644.75	4371583.055	11466650.22	5175866.237	4874991.445	26838848.96	31280180.36	15626402.16	3597341.683	70936209.96	13940305.53	27598297.47	20821951.32	530050.1577	275374.3859	417305.0503	307164.7773	566575.5137	876157.0555	1300406.668	838724.2266	3283192.193	4320034.891	14598617.81	1674359.043	1998073.186	4199719.484	2022363.202	1155667.307	2231698.977	1904599.837	404311.7244	1371905.454	299897.7529	635970.7482	534274.9424	174992.1445	1442994.038	1596680.25	2124330.327	1473738.108	1571884.667	2570622.031	1741548.553	2025885.878	815350.609	1320870.759	2335524.628	2501474.927
3-Hydroxysebacic acid	83492928.77	8693584.625	15154525.86	6292611.446	4144036.822	10852032.04	8808478.802	7555312.836	1664775.847	1304193.067	9240130.305	2959375.087	618766.1371	2223464.232	863143.2243	858044.8076	6524495.231	4565697.848	1199675.422	717697.7629	8024913.464	1190504.873	2720338.432	11370451.44	663244.1454	809164.464	377762.6913	177568.8627	281359.3189	366639.9851	616365.3196	913901.8568	490640.3511	855307.6725	664148.3115	827842.9324	928213.2538	673110.9628	629889.1301	302674.9012	357664.0418	578521.4739	498172.1515	385279.7627	263827.4899	304986.8657	310052.9591	196508.3994	784328.4573	651366.4798	467872.1686	1292076.091	631697.5164	922177.7682	292641.356	1155833.954	478304.5843	805920.9859	631963.6886	973799.1716
3-Hydroxysuberic acid	6588089.843	3045550.104	2437512.99	817131.0358	1225434.274	2133524.141	6044370.414	2460796.634	721443.4834	927932.9604	2934002.816	339023.1651	1020300.191	1344975.378	1094899.115	1161517.838	4112696.535	1571070.5	1555730.828	640778.2445	1818735.482	1456620.352	2800788.538	957224.5136	551613.8982	623182.4418	119458.2945	177776.6284	156730.8471	169252.8849	780102.9329	943753.1181	1484749.325	427680.8903	573164.4308	525124.3386	340693.8876	449516.2121	484909.5523	492304.8405	288814.6133	259944.7522	455281.7706	292071.2708	211196.4901	271765.1325	104304.0639	195834.9824	698186.7745	822121.0555	629743.6072	1159236.019	821753.8094	787470.2981	725064.5547	720363.6058	462756.8931	781672.0293	711097.4719	816892.8208
3-Hydroxytetradecanedioic acid	5881884.062	4898599.801	825495.0328	1979181.463	390518.3264	3941320.381	1472528.304	1306755.224	1436820.329	1478467.225	1578210.239	3647075.709	902294.8887	994409.531	3175369.731	2689760.623	473172.7405	401092.5063	443501.1881	4034038.784	1017941.684	204071.0702	450928.5354	2203200.315	35558098.48	33645052.76	7712319.65	6867716.619	6697202.923	13880609.46	543508.3052	3482112.93	232912.1813	1232239.307	3790885.046	3816661.952	642964.3983	297548.4818	456231.3623	1091372.674	361688.3721	374363.0235	5912982.921	1343819.736	1472896.557	1992289.944	3749212.233	1667901.114	1314760.451	1505452.141	1322074.066	2770075.7	3402845.648	1733399.028	2368676.979	1706324.587	2284108.086	8500018.801	719284.76	3245479.79
3-Hydroxytetradecanoyl carnitine	34090947.86	16313482.56	10290741.21	6304384.097	1380304.177	30534869.18	15623309.64	24925751.7	2736437.868	1936078.379	27154144.35	5733961.151	2033402.594	5620529.313	1566363.128	2164130.732	17772890.52	17749638.31	15108738	2050119.444	44679567.58	8723222.411	20579396.4	16936226.99	491223.2035	371131.3018	244993.595	212815.1239	273461.9535	297851.3444	789156.3591	519989.0491	1100908.12	1623694.915	7989868.208	312944.1969	702242.1918	2123388.924	792326.6867	383297.0833	1106571.059	1049724.179	326353.9321	372410.7184	224297.2381	313656.8446	316321.0262	193074.5436	740510.3784	750061.6371	822765.3207	413438.9041	1033927.92	1427028.541	756987.3414	766040.5609	262778.806	1139648.109	1232305.774	1197424.161
3-hydroxytridecanoic acid	31032958.73	32694973.39	15100578.46	1480403.582	387263.0204	12630080.15	3400735.167	5868595.001	1325161.45	1168454.792	7381158.294	5589796.138	383927.8855	1589718.229	373387.3499	935227.2845	2052026.7	8098097.18	2891277.157	380107.4961	12151786.61	1612677.13	5231452.681	9811048.552	398207.4007	383963.6278	374343.2337	327388.9368	635400.8379	336773.3141	354810.7159	347968.68	380882.6528	2080438.497	4357021.843	493236.7809	358216.8405	765257.5434	329990.7762	417766.0682	645524.5764	477034.2448	405771.2355	858719.3624	320443.0707	360225.0385	765016.4205	291425.1215	382556.5042	343001.1873	363992.3075	396750.1387	464406.0746	479293.7583	405611.4614	410431.3777	375361.6811	560057.4162	405430.6975	468501.7235
3-Mercaptohexyl butyrate	44475622.98	63226344.63	27663301.45	36522740.61	33283404.48	30540256.93	39136562.71	42500407.76	25255604.23	28279593.2	23761879.06	33716682.25	11662607.67	18978826.45	14422079.53	16305828.26	14065051.41	19905370.59	65943236.79	21648580.91	35380424.11	21379666.42	24753717.61	14582220.1	18489151.97	27437956.26	39210316.97	29698159.89	11460209.87	39804744.89	72332483.18	36911874.52	56834294.34	30512225.16	22577687.37	39879080.1	21771980.9	28616739.58	34620744.29	23432392.57	30737630.92	44838169.16	28306856.28	19592590.46	23712064.89	17514234.42	32752304.69	33071976.85	51976084.15	35367288.17	23429692.58	40179362.93	43404126.27	61938374.42	44321757.98	35873754.44	42437958.27	33755161.24	64149358.35	28267183.3
3-Methyladipic acid	20161440.34	32328406.58	11313394.9	6005523.631	6676521.601	8933530.874	14519907.07	7355779.368	4299719.976	3378581.687	8191855.659	3188578.9	8939853.668	9740401.029	14326410.22	13065037.08	12323894.62	6767728.919	4262366.4	7978281.659	7270909.289	4309040.527	5916742.714	5783816.738	8806230.658	6618524.752	7309040.627	2221207.014	261459.8467	12249228.22	5177536.454	13436082.95	6804465.588	3939653.886	5528169.766	9654852.495	3088692.989	3441152.714	4863052.574	3873824.176	2472596.507	2891309.197	6484610.636	2909813.362	1773201.737	2681672.857	4701459.181	2701990	13271434.71	7294754.893	7996699.734	17376767.09	10393728.17	9185963.859	4935949.051	7464978.477	4140155.054	7817149.72	7418577.356	7368260.621
3-Methylglutarylcarnitine	1366074.255	1687201.03	3913059.938	2567582.229	4413137.661	2267589.359	3581809.672	630736.6355	1048665.241	714461.868	874516.2747	190933.9781	758697.459	565580.1763	4959924.219	5541250.639	8211586.714	26965779.41	5843485.953	825011.5888	1349888.143	2429052.495	4467447.501	3692883.994	866333.4969	1025082.049	212514.7394	227155.9581	243379.3234	232081.1543	1144857.085	265086.3867	4676965.2	1763800.697	442666.6639	176330.5981	655959.2172	4068044.78	2474042.315	1400502.488	1077674.714	276219.0389	430883.6653	654539.6157	173411.2393	349189.2085	1275590.761	193574.9767	1189159.621	3936477.243	5009584.395	6388346.939	4706518.657	7178478.356	2328160.27	2028109.805	939501.7178	1182454.303	814851.336	537940.0595
3-Methylindole	19518072.63	25170937.22	26129180.23	22748358.19	25588383.85	18672900.41	19399973.78	12531519.27	24032532.24	19567658.58	14710858.97	27347354.9	13759770.45	9184041.097	26902659.52	24975658.31	12724592.02	15229641	25076286.66	30429773.55	18206886.42	11661401.43	19942324.26	11430770.97	52198144.87	44842660.86	21158078.54	13804460.64	12023157.36	28615317.58	19230288.81	29892026.75	20747702.19	34751996.91	24340467.74	21507462.75	28770197.21	20355723.56	15090020.83	22901744.03	13299440.23	9725841.633	73895250.09	32543531.36	30272217.78	38805276.53	58209059.11	23194980.82	40474871.53	32284906.08	29464358.68	44968966.68	46793109.66	46876026.57	25124439.01	24550595.96	14209407.82	23607581.29	20746274.69	33432298.01
3-Methylsulfolene	892756828.1	793351576.4	1159544429	670807589.1	1089632313	832398673.4	1447665153	1004670801	1453367435	1030318145	1111649039	927061802.7	1032447213	815100599	1479974442	1543047353	362225505.7	406210015.8	594171067.1	1335412048	476629317.7	269530638.3	433452381.7	519225388.9	920706861.6	868044574.6	731497737.5	462206999.7	298420154	727232875.4	784983554.4	1132601792	758220972.1	430984374	376588861.8	970580588.2	710381764.6	705913403.2	694461649.4	865537855.8	428605092.5	562538363	1192816045	601775061.7	633478457.6	932730327.8	992219859.3	537431331.3	1148053247	829689154.7	704034440.6	1170907431	1192112317	1488877112	937069748.7	1021795541	811281256.8	1074476618	932245844.3	820363525.7
3-oxo-C12-HSL	3418173.655	468850.4564	1091971.225	932716.0594	457176.8916	1223884.91	5302608.322	3416262.821	1954731.218	1584388.831	4172993.001	1294073.803	725573.2554	2782849.795	1169312.027	1384336.625	3318943.557	633203.8757	584102.7336	261868.0645	1995481.673	190113.6017	834894.5215	478202.1551	150197.5365	143653.9069	105591.8233	119880.3032	144358.1274	93774.93511	3458389.404	160169.5999	1940202.227	85968.54132	231015.5306	545596.9997	131555.8854	2359959.6	1083719.318	344740.4118	791236.7769	630516.2407	82022.41438	80888.53679	71131.6078	73984.43643	77981.13185	70245.51332	90311.24287	79482.92922	84957.28594	94922.22685	126627.2227	90695.3022	2361146.013	1305161.474	968127.2246	247947.0733	2262949.704	2215218.798
3-oxopalmitic acid	103380177.7	11855523.37	17788771.47	14890546.66	5113079.844	33191908.43	9315322.705	17186956.18	1483138.699	1861205.103	17348942.59	17829368.08	1468420.018	6533314.619	767491.7223	652630.0796	17103679.93	31655712.61	16235756.53	6146184.33	49176650.27	6792652.293	17934565.76	20474162.4	189449.6643	601323.1756	455818.3669	283092.39	654941.5144	372677.1378	2435758.832	731574.5482	1468733.906	1576990.786	6535580.334	1125543.975	1042202.578	5937556.796	2716598.336	3121672.29	5475552.244	1300169.856	600022.7845	1660342.107	645087.6858	1337123.099	315827.8003	416875.936	1656946.927	1644098.182	3394257.338	1529144.797	2853168.381	3045579.666	2777509.061	3148675.43	2053112.939	4833063.664	4102307.218	4652507.65
3-Oxotetradecanoic acid	801055656	186058479.1	235910553.2	129566960.2	18762142.98	450300241.4	232109858.7	221173510.3	19591154.54	17744379.65	265507943.3	130928077.1	8004528.34	51330592.58	6861654.318	6436282.975	119032687.1	202352289.4	80858216.95	25595758.88	358500804.1	47384683.09	169013772.1	191443154.7	1578340.979	1914115.225	1398327.764	1230223.394	2190697.167	1943155.735	15073900.24	2014171.859	12261256.73	30873462.61	77844063.76	2843082.131	4170936.368	27850527.06	15751569.19	9707154.636	25517021.33	10704598.75	1071000.184	8275240.524	2495042.389	3502553.815	2227495.158	859756.4589	6697722.763	7011482.026	8937698.471	2205944.674	14814535.59	17015955.56	16121890.71	9903154.169	7618956.92	26866671.8	17423043.78	21933638.81
3-Pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile	131751.0449	140318.0969	210976.334	636358.2716	422230.4453	140758.1472	150399.3971	359627.2303	1339493.394	138188.0512	144045.4465	152389.8948	149859.1483	156254.8546	165934.1215	191959.0764	148836.7263	1022194.155	1077604.51	227536.0362	182484.0397	293440.1565	434966.7942	132199.4727	199575.1247	201337.9488	146171.8348	160116.4277	160475.2609	549282.4374	122845.6847	319623.8807	493968.3805	146676.6295	152418.0001	385005.2959	537497.3103	136411.5555	425589.8915	1382500.841	422287.1188	111730.6571	449961.1254	156221.7001	126303.5163	154193.6823	155745.8775	113190.1888	147641.3719	456777.4323	638206.1989	155727.8745	258058.3008	165238.994	205939.6002	181899.0972	500846.527	151657.0991	286569.5711	514581.4602
3-Tert-Butyladipic acid	98169715.64	43501091.91	27743796.69	15308350.6	15010468.38	32189808.65	32846836.88	21774178.04	17931090.85	11016391.03	32229660.56	17439450.83	10801041.35	13581880.6	15836032.18	12727578.59	28091980.2	34023411.08	18993778.06	43490808.97	80149262.52	23289929.21	45347284.2	18385843.52	17325367.76	13017745.95	14509160.36	5566612.228	6145552.932	19190694.88	7677140.486	12518008.49	7897307.929	11681337.34	11801832.66	11986083.43	9198877.796	7412720.786	7371684.743	11706913.49	5747080.21	5879018.886	19111729.02	14753815.04	9839669.381	14493001.43	20316978.32	6426934.325	8685328.101	8150466.524	10696260.03	12142825.9	12770533.01	11071270.45	9059370.132	8659130.784	7994214.118	11009758.38	7627655.611	32257812.72
4-(Trimethylammonio)butanoate	46035784.25	111947377.2	46612982.65	64797068.45	101736749.7	53816362.6	88070177.51	42852485.81	67623293.44	55355900.43	44456080.85	41022356.32	30131433.19	54394553.87	34612777.57	42598458.05	18904231.58	33741370.86	29903035.85	21977890.67	28442710.19	23690803.64	25502466.96	32868320.77	97445321.84	64360306.7	26641201.19	16819615.63	14482613.83	60806713.42	39385284.77	75899735.8	72810247	39835594.7	30459852.24	44045522.09	66804930.61	64549432.38	44429280.4	81529730.67	47829003.9	41052983.51	73250965.3	55233425.43	43394686.78	57926504.82	53350631.72	28752525.96	85629445.85	93847670.96	126248222.4	120604860.4	138357818.1	115695915.5	73876328.17	43873258.7	67984549	36122352.98	64523225.95	57599646.59
4-Aminobenzoic acid	16058972.23	38193239.28	24861375.74	39506669.44	54852134.31	40615257.98	35762472.39	23733719.91	31299303.23	39507697.32	16281651.17	23105059.05	59745059.26	106263923.9	54827048.14	62145853.33	31851504.03	11585224.52	10376428	97058845.02	22217497.05	13897861.76	13871090.56	61557594.44	32097967.52	23794376.77	27653879.25	12827527.95	10401000.15	36653664.59	15005515.07	32688793.43	3672255.548	7252405.993	11617934.88	22568166.97	49695970.51	11004671.1	18672692.5	37158194.32	16713562.06	20510792.57	23630933.18	56837529.81	37245076.44	35175012.71	23446644.66	28591673.02	35816056.37	41629825.93	47829334.06	39908087.21	48189517.49	28408145.48	10439652.55	5994640.34	31291061.23	19253990.57	13288787.82	41612210.89
4-Guanidinobutanoic acid	9446002.321	57028312.34	12257605.84	7785767.451	38151664.82	10685568.09	9507409.342	3825987.4	10038052.28	9916919.658	5494479.095	9156482.588	20493683.27	10414035.74	23877409.31	25647887.11	7812661.093	7090469.211	7893572.571	13077570.55	6723346.267	5313352.887	6332312.522	6649705.715	24896670.35	15558275.97	29091976.51	9849147.398	9377877.883	31787376.17	4448022.11	31350410.05	8242361.733	8649502.663	9255348.354	15547651.27	20206614.21	8003212.928	11110040.67	20066932.86	7891852.381	6827885.775	31280802.53	20947429.63	13782099.97	22088193.12	19506906.78	16284680.93	50311325.4	47380043.86	16985577.79	36736200.91	46554138.75	62742743.4	15072677	4640462.792	20979075.93	27566571.48	12127811.52	27730485.13
4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide	1187286.052	2246770.408	7542552.904	1126885.853	12126791.19	4560056.792	417855.1535	196879.7633	800812.599	579860.3482	407085.8225	1113670.858	3975728.838	5016228.776	4554789.149	4849917.823	851521.6458	411367.5867	639450.8164	2107405.782	147582.1012	148959.3514	210665.2905	578955.555	1252322.745	945172.5769	829052.367	214355.3143	515213.4027	703589.8506	481019.4763	708273.4035	750098.0608	618336.1778	521341.4	301887.1809	3421849.67	1733020.252	1612588.853	4050259.778	903467.5911	1118601.152	5017610.916	3864750.546	1723482.908	2080430.041	3103029.828	2048494.154	3571095.632	6291559.553	7514125.527	15187855.1	5968609.85	5710289.805	510052.4561	382407.0175	948309.6447	2104473.383	527368.5985	3520596.458
4-Hydroxybenzenesulfonic acid	260168002.8	303311219	334296983.7	456702368.4	247425756.4	690951357.7	386717613.5	263521420.5	567023906.2	593194471.3	401423202.2	219750479.9	227845825.9	381098431.6	153767310.1	89656400.46	202511781.5	66111447.11	758943699.9	357372503.5	214184589.2	302752250.3	420548804	71393542.49	123960305.7	193943407.2	125035515.9	17878251.03	25791724.27	581261365	235003216.6	80783079.99	213691053.1	159525735.5	100882676.5	227913887.4	206373497.2	617795832.6	163061356.2	74947881.22	143448698.2	51766572.72	106767896.6	124325547.8	82910177.89	148475146.8	147608316.8	21320985.78	432846400.4	291691993.3	446351629.1	478047771.1	361542424.3	303184047.9	132693396.5	50291376.98	107360148.1	196342959.5	70017360.98	315899227.9
4-Hydroxycinnamic acid	1911200.056	5636369.502	6112686.934	2020270.651	8915415.177	4463263.937	281728.123	275518.304	1266522.697	1022603.321	475265.3135	1555325.437	4496528.877	4375816.579	2909922.533	3847671.071	866238.1502	424750.4916	1530623.54	3794325.734	676521.3493	517111.3256	1016936.608	1193126.24	1748933.377	953379.1901	727469.9157	295688.3516	303689.0935	1462249.999	619055.3733	1394127.11	340957.6631	771222.0001	821969.9657	828642.5934	3779162.577	1850818.292	1444197.2	4067487.643	1284014.03	1810166.381	4720005.443	4901748.122	2043219.146	2956158.362	5288027.935	1967604.278	5671747.089	7286285.453	8906895.579	13669536.23	6197534.492	8590728.09	665107.6907	621970.2968	899799.599	2072656.546	815332.5279	2748683.185
4-Hydroxynonenal	5291743.907	1476919.105	2953839.406	661027.3358	2298742.718	1530778.549	1670675.562	1556342.231	981673.0082	749416.8833	2130612.259	475601.3706	1404826.451	2342517.039	1466957.873	1423900.128	5266864.116	1389409.155	1682752.75	614626.6591	1464034.487	1388134.54	1578426.347	553063.1975	326231.6356	286051.8939	183346.9969	140843.9565	297223.079	259321.4162	516440.6506	449698.8405	1081794.693	343145.0122	271529.83	931457.1321	698391.7734	803516.6165	963626.1279	525244.9356	296988.5321	492229.8896	371898.1565	207642.888	127531.387	172060.2705	387886.7495	71252.72318	731057.5921	1125910.987	1390867.756	2012724.789	885782.0061	1083614.717	625023.186	999807.1194	471997.0567	676286.6582	676777.3752	2166737.074
4-Indolecarbaldehyde	10776072.85	26231944.45	13373938.4	13261696.53	12787840.61	10792363.07	3950566.044	3780598.366	5873355.87	4884075.31	4322772.073	20528461.75	4774042.319	5362046.034	7830093.141	8737140.082	9498504.8	18240148.33	19371579.72	29717073.97	17352803.49	19943239.81	22037097.77	13870507.63	9084453.345	8892580.233	5356967.744	3066756.055	3408332.529	7619812.142	3662238.222	6647604.432	4935217.041	6392149.657	5585683.627	2878440.756	8917507.38	9020462.857	7689327.912	8532103.582	5169988.555	4395011.471	27019340.82	31197300.52	10466868.34	13686188.01	24743079.85	8546633.53	32510931.47	30691505.41	32736745.15	54074766.41	33712792.34	36490975.59	4913787.82	6409017.255	2051412.689	7980468.055	3726782.673	8783034.803
4-methoxy-3-(sulfooxy)benzoic acid	33724914.22	37477601.21	20235095.92	11005813.48	43087302.87	26110605.5	4795930.096	8643021.613	13256870.07	11443518.56	9319997.992	9006089.099	12968477.37	22742156.48	19233332.59	20412157.8	7364127.841	5507628.19	23936327.38	19774710.18	6017604.233	7972725.921	11177330.5	10876822.35	15980780.42	14915122.74	7080717.014	1788443.624	701147.2717	16635971.13	835668.3415	8391724.317	1380723.873	2645663.099	2220527.029	6521683.543	3690210.934	3684523.57	3638187.713	5918205.001	1184235.107	517444.6228	32091540.71	9207089.772	4916306.288	8446915.316	15319707.82	3551839.234	30680537.25	42007521.37	50265503.82	98782157.88	45324973.16	55022765.96	5576291.333	5306550.393	6917159.312	28313039.64	3274490.121	10006507.62
4-Methylene-2-oxoglutarate	240377.7222	249750.7408	318636.3739	176969.0052	261345.7343	233799.1036	265250.063	190547.0005	231138.8595	203778.654	230132.5505	221800.4738	357971.5857	269622.4637	278628.5262	255870.6603	497166.616	332607.2507	358599.3042	307548.3927	372591.2768	252821.8362	446386.8632	361895.0304	358767.5125	269099.5717	216528.7729	227765.964	320592.3117	214348.3471	217941.7419	201597.1394	263205.931	233913.6629	259933.2238	239936.9747	281479.0756	389239.6216	261607.8639	363062.0041	226002.8109	221791.6487	296306.8086	308771.7635	229730.7344	283214.8561	270074.9075	181692.8669	239069.1547	220852.1848	254429.9575	293776.2728	272151.5907	265064.8354	253645.1464	260576.967	209572.8175	228069.191	244797.3431	260229.0713
4'-N-desmethylolanzapine	15973453.2	14333271.33	17019252.62	11612744.32	24414937.92	18516478.54	26330523.71	11289258.09	18573800.21	21405619.98	22770033.71	17009211.02	20981749.51	15231008.34	16027046.99	19495476.74	21171063.82	26891554.25	19783999.98	20075943.91	20037603.98	13288377.24	18027299.6	16515332.87	34617069.12	17425731.04	9879492.82	6168976.474	7242759.025	15858152.46	15392365.62	16808955.84	24936391.29	26868430.38	22184579.44	22865298.86	586669.3156	22204787.89	10343222.77	27117261.58	11828729.92	11673677.58	24001567.44	22888191.8	11110089.16	19791610.62	20197383.69	7084280.258	17740570.09	13569796.15	23063502.58	20748696.97	17972770.27	17383085.76	26827454.48	24679085.94	19813269.45	16220639.52	15375611.16	22841048.91
4-Nitroaniline	13131617.56	20142184.97	5092585.415	1584708.276	7953818.293	3687283.903	5155796.518	11865273.31	5209830.557	6348856.184	9899133.455	3470348.707	2519206.099	7320256.947	1792926.859	3190819.932	3943679.468	3372588.818	8242121.379	4999005.597	5889396.424	3120623.61	8895955.095	4283068.364	3776972.113	3601907.472	2711641.452	1457866.508	2312376.209	3402439.215	1815909.853	2053221.521	2219505.838	2177940.72	1657820.776	2796637.527	14813994.16	13743780.31	12482284.7	20340756.48	8721101.736	8845980.335	11438407.2	5618006.386	4294884.115	8853673.043	17850077.98	5032793.614	4114531.611	1458004.741	4225385.223	2749816.157	3189001.432	3308853.646	2641304.469	2312577.839	3018591.098	3529541.796	2715167.177	6929680.485
5-Hydroxy-2-furoic acid	124278470.5	96156634.21	51172781.01	34393642	62833886.65	68231120.47	11125372.53	48764410.05	19586759.81	15977094.57	63414039.55	20356503.48	42661990.63	40402671.46	40564120.85	46327025.95	38451728.75	47663551.66	44222991.29	40941552.69	48541670.6	41393550.76	48776109.94	22041970.26	11992332.38	6905178.743	5178056.608	2076342.735	763563.1587	9779389.73	8293450.913	18620627.77	25556424.79	15608479.46	14876726.45	10762858.31	35713231.88	39926192.86	33947146.46	32977054.13	30038771.77	17713637.34	35168189.03	27663216.46	19032983.1	24472137.81	24608675.95	7785772.9	58189505.53	69006471.23	47294547.82	74937587.59	61072982.36	97139730.26	22921204.41	24012489.84	19109476.37	51992063.34	26989743.6	44808283.71
5-Hydroxyindolepyruvate	577206.1977	1504027.598	822779.4518	1845804.571	933315.4588	823275.125	108455.5117	93373.70895	142109.2792	98864.71194	127620.2689	1118974.772	3691997.018	1657018.836	3620587.596	4026242.591	1352394.007	1628691.278	14684535.75	10629767.45	3338128.775	2960799.358	5221598.551	2968231.511	2978596.137	3113822.165	3517500.059	1085305.588	793944.3514	2775825.326	555059.6238	574653.1892	522404.0405	1455191.039	238807.1018	708094.9543	948948.9483	339711.5899	129816.6587	359140.1475	68336.82436	72540.90434	5277838.879	1982547.835	738050.1261	1097650.184	1585991.013	552181.0468	3244490.566	6846549.658	3956805.59	6842437.043	9145508.241	12129235.74	277473.9933	794673.4329	625845.9116	4228911.356	1195379.557	4063371
5-Hydroxy-L-tryptophan	15601833.71	20710857.52	9349939.374	5742310.626	12256225.86	13011706.98	6272177.641	5711757.022	10435601.38	10376288.49	8729670.655	14920848.95	2652478.162	4624857.081	3223663.728	3259630.362	5943784.231	7185483.443	10777591.58	6517175.995	8134563.015	5949467.973	8743347.087	2791180.708	10984911.07	10069366.63	4709454.376	1886839.726	5474799.087	4421408.533	1386903.667	7737549.839	3032730.961	6825053.994	14933104.86	2335822.427	9498332.566	9931146.219	9454067.084	11116573.26	453833.9581	6647890.165	17653585.69	17837416.45	9831733.777	19030622.93	20053649.23	8319302.962	9757675.078	9785951.164	13239003.14	15625448.36	12229902.09	10910775.66	5210521.27	4573333.651	1314507.149	3871775.26	1514992.724	5547683.138
5-Methylcytosine	5233328.451	3698614.576	6407063.082	4444182.491	3867801.222	6535579.584	6006215.965	4123954.558	6751671.627	3392104.647	5260690.8	3789128.901	8118164.705	3450036.572	7181680.798	7060524.265	5405206.102	6923955.305	5082405.018	10980825.95	9821836.843	6066396.368	5785862.06	4444290.629	6178465.23	5142861.621	3715320.939	2477728.753	4016215.312	4269443.148	2823480.649	4948735.395	4085697.657	1050991.437	2393338.443	2787113.117	3249257.162	5686242.171	4624059.922	3530961.235	5063366.205	2716839.797	5861511.921	3084279.851	3925705.948	5448887.905	3932435.481	2588512.291	3882860.166	4533111.459	4465247.033	5780428.927	5544670.217	7698106.005	6195016.51	4872818.335	2906610.752	5673169.834	3254788.187	6763229.971
5-Sulfosalicylic acid	3687297.14	1657282.328	3419385.962	1038967.619	2282819.95	5758678.623	4348683.192	2970118.589	3984590.723	1390981.515	3269445.951	1414018.52	4406064.18	3087471.461	3862303.016	3687677.74	2831292.78	1580830.723	1589336.695	4208792.501	1548557.56	1651486.99	1648881.021	1593356.078	1275480.544	1589104.638	1386207.006	243754.9389	259506.4191	2232809.609	1994323.244	4524961.932	3069912.37	1389755.054	2431725.267	2081074.254	4457495.234	4495067.324	2865460.786	8734332.13	2504656.307	3465459.821	4087848.502	3269117.675	2291389.386	3377603.32	2970276.812	1565641.925	2493847.663	12016943.27	7366326.498	5359341.994	4356653.607	8165473.498	2791015.544	2254666.407	2955862.644	5147102.634	3537353.611	5301012.023
6-Hydroxyindoleacetic acid	51225256.09	29030963.06	14789234.61	14302786.88	14399087.37	17234689.29	4027605.206	15760951.78	10684482.04	8450513.663	20490374.65	4713323.203	8130596.533	23346660.2	10612497.47	11954194.4	10879972.45	5955719.91	21396489.94	10685964.42	9362539.918	12057510.83	17405566.34	9472460.391	2834881.528	2990659.269	1881516.211	770477.9691	1720700.332	5336622.855	1051654.554	2719878.618	2987899.73	2044196.78	2299759.155	2034471.321	3320421.869	3717532.058	3718321.079	3521670.371	1154421.106	1881128.873	4473092.708	4235506.15	2332211.149	3830635.385	6323598.456	1333867.062	20629233.65	28813407.95	19079923.52	60307185.14	26009279.11	28255963.25	4289294.66	7756258.373	2724197.373	14400110.81	2914597.519	11593379.51
6-Hydroxypentadecanedioic acid	4234712.857	1592446.399	173669.8272	665597.2307	767479.2842	1431741.102	309615.2133	90827.85466	172544.7888	135457.1727	62644.68483	208363.7228	395016.3236	383885.7625	70674.2318	76071.81091	652653.5438	378206.3527	4902248.881	236016.3987	2299480.62	553424.5297	1358409.495	907384.9996	88325.85831	129114.7323	89828.06471	126453.5825	147556.12	201183.1686	204127.9748	81052.13057	160045.1204	104404.4716	139054.9591	72025.82933	149964.505	919656.8863	140685.8189	79425.39772	69838.43056	146711.1849	67355.71452	101697.1668	52542.84379	152107.895	198127.7556	42221.01002	1252548.848	1243768.568	546671.6045	2420455.047	610004.6907	1301166.965	280562.6698	608285.6631	188632.7143	400438.3185	215582.5964	666574.3422
6-Methoxyquinoline	7364926.474	30131067.52	87553430.84	19331135.51	5750351.9	9782315.803	5036303.801	4551794.494	7951433.844	3622717.645	5724946.181	10833459.75	9382002.901	5785363.533	6428085.563	6209629.746	370567553	4830755.771	24516499.3	16389072.66	44562769.74	4553230.878	15021212.12	5718680.994	13424789.15	9470960.787	192952281.4	108671646.7	4025228.73	241300605.1	4335281.129	6698927.585	29788658.71	76458689.88	93840157.4	5725024.731	543158061.8	364441879.2	171974875.9	295559091.9	226910618.7	67669961.8	411812506.1	450069066.8	345620186.4	402598251.5	618741384.8	102926901.5	617478112.4	170020650.5	48510705.63	123911409.1	167579172	280750982.2	239586624.8	127610802	6485190.051	8164492.484	175145399	16110177.87
6-Oxo-pipecolinic acid	41744584.59	16989593.77	10405002.19	5602543.709	3346452.108	14243152.63	17842343.78	18516583.3	2205103.353	1250635.39	22682245.35	3779992.752	2601739.102	7923431.16	2220217.418	2352838.774	17055445.68	16967760.23	5807950.715	587152.3465	15426182.89	11184141.45	17675797.73	3895141.175	4121847.179	3573762.212	4291424.052	4676979.889	2493736.68	3422397.639	4414734.847	2679508.713	5387828.604	3152539.393	8119540.007	1175334.972	3959520.004	2318972.451	1511009.753	3932188.928	3299295.859	1011145.966	3501085.901	3379797.937	3195905.319	3273233.322	3652379.513	3087094.965	1354155.73	2013400.977	1385589.159	4284870.962	2478487.665	1977953.346	3192798.027	1520014.413	1440091.003	1401812.102	3390404.244	2886705.16
7-Mercaptoheptanoylthreonine	331359.9333	749553.1227	1120349.283	456690.855	7089085.277	1744016.238	2303309.699	396693.0709	988651.3546	1138284.428	963530.9076	691516.6957	1858851.561	525710.8284	2231514.292	3144388.621	994825.63	330315.6846	528828.5184	985792.8131	676693.8601	462288.9774	273765.0585	828310.5036	2101483.412	873149.178	331165.9667	282364.3208	343620.1422	260106.6532	3411190.051	7053835.054	4130434.86	1254231.894	1336665.198	4522706.722	3400241.062	3258196.566	2797317.864	6269989.395	864727.7387	4623656.431	1272407.038	1097574.787	523937.5122	1224579.049	578548.6922	403326.5615	1272338.314	463595.8782	1210040.897	893363.153	322334.7624	515128.6491	2208622.755	2497681.769	1197762.484	619873.8012	1159014.65	347862.7199
8-hydroxy-deoxyguanosine	369635.4915	366009.7085	421890.6231	351427.3871	372710.0565	358825.3807	369113.9033	365606.7957	383047.5702	359336.8921	393505.1845	350648.7077	354258.2208	350204.6462	372206.8007	365347.6091	956017.4951	580552.6674	547021.1395	368338.3858	978065.8666	358858.9032	345453.7051	580995.7705	934956.4081	699034.472	18046087.99	10785259.52	1193686.096	40491981.1	3032522.009	759744.1546	7305390.544	14578495.87	20450559.71	1060494.806	2202978.921	3957202.228	1289380.968	2938600.499	8311446.373	1926508.684	72805148.82	30669351.26	58821068.99	59507504.03	101306434.7	15009382.56	8933770.689	3792178.659	350087.8864	582488.6318	9057409.868	11543996.03	9336979.282	19060926.22	2169962.459	2423197.551	11054898.53	2825510.441
8-Hydroxyoctanoate	11025625.13	10535553.82	5206362.981	4566672.018	2666844.521	4921170.032	7568008.225	3729678.711	3851687.033	3660639.08	3729473.512	6424085.232	1688650.746	2023113.407	1934440.157	1795316.998	3494602.457	3232520.048	3541631.749	3612119.413	3543910.321	2113209.093	3002920.348	2401508.628	4480989.476	3089969.268	2758457.704	1138335.07	1995550.434	3125607.926	1790572.495	2639122.793	1408666.487	2147269.186	2580692.345	2322384.298	1509930.824	2694909.944	1403292.351	1550656.071	1230477.855	1102692.72	2253832.54	2357978.949	1612480.433	2194322.919	3131679.521	1295097.308	2721037.694	2440881.981	2546189.418	1978131.279	3405634.886	4116921.487	3133508.428	2995341.27	2180173.048	3727313.082	3196609.574	5544470.83
9-Decenoylcarnitine	885049.5333	1767331.371	2196959.236	282927.4326	3610744.475	1261762.821	2743547.668	907739.3697	611683.2916	466157.9059	661128.162	150841.6414	946465.1511	899318.9792	1203445.001	1161524.162	1123232.877	394245.5999	853665.0534	732605.4169	818145.7749	980387.9312	1066026.841	325465.6856	377670.8074	369826.0403	417523.2247	282712.9692	768085.025	397158.8449	625741.4268	673645.5048	428472.4315	698863.0088	158566.3431	1075490.796	699123.6996	902863.5611	814807.2848	1531776.331	1118804.499	1475425.217	401212.1366	472820.3265	494490.7208	481239.8053	609602.2206	244311.5259	1892895.468	2255213.66	1483758.902	4191376.55	1437030.376	2127354.833	1041294.651	722192.943	1222298.59	1126872.576	583935.4516	1006978.242
Acetaminophen	136139145.6	106216884.1	126892969.5	63024629.24	73669684.13	91359027.74	94169139.91	75300032.77	117139673.7	92384461.63	72320124.26	73778950.33	88914118.41	56737163.17	96569490.82	105704418.7	59691958.19	60114014.96	93918925.97	78319623.33	85946552.92	61074163.4	86705399.78	86687904.41	67562557.38	48255265.5	58329818.91	40007535.08	25959072.74	81066471.52	28609830.31	42810956.69	31156134.88	41967207.13	31059857.93	40978059.44	42746824.28	38219588.53	29358243.41	38577332.37	23618363.03	22387639.38	102748550.7	76383306.01	66142549.37	90563344.54	93951163.38	49527170.51	86373962.53	74734654.19	71849169.21	105038142.5	100203297	104461931.5	57879477.68	44051000.9	53926782.05	68619519	55654923.14	48400446.89
Acetophenone	10600215.47	3888252.931	11108181.15	5477155.162	8602565.818	6524765.27	10529363.58	11180677.71	11133126.68	10978590.8	13739471.82	7191201.296	8469268.884	4049473.01	18119464.99	16722631.57	4820378.821	5622170.403	6453251.258	7744511.59	6126574.288	4312138.812	5896741.209	4845125.556	17589226.43	13591964.14	4268364.916	2083914.264	4418169.291	8015827.334	4624946.156	8499171.423	4932736.617	4839593.293	3932544.196	6461957.511	7901641.606	7902056.69	4682471.07	6220324.05	3833103.039	2667243.737	9951076.245	5851460.288	4870270.878	7468525.621	8984164.108	2659974.997	21710086.16	9958458.324	5982607.688	14206835.37	11620600.2	14205989.25	5348532.428	6940210.095	6638524.608	8288131.515	6750984.332	7326959.525
Adenosine monophosphate	3478919.639	7846472.374	3191331.1	2707831.425	7708496.251	4338224.3	2710398.025	4542612.781	3324529.737	7038118.963	3021019.163	2183513.919	10403325.52	11102688.81	6528930.246	6653772.832	152924792.2	4504001.386	7157537.277	3234112.495	2677105.854	4191320.648	6578846.455	1865122.104	658290.5974	748730.1559	1446030.791	625822.6956	552643.2282	1630209.63	2665427.009	2961310.883	5375060.403	2063712.786	3028857.631	2319560.61	293692108.5	302226986	359939441.4	190980414	109253552.6	133801334.4	1463450.856	16207252.15	3739245.035	6972271.848	1369933.459	10990526.14	105990340.5	3791389.714	6769212.99	3304442	3339739.264	3703230.097	50182943.7	29646887.8	4904893.519	2573848.522	23673970.66	5510405.686
Adipic acid	731993.8684	2005328.019	4891720.917	3353723.573	6981764.072	3249870.6	2878815.536	2068370.046	1060195.971	3469584.078	2178871.029	3288424.639	7788116.577	7528566.816	7810042.876	5798690.681	1350827.639	715238.3241	4760970.907	30051595.25	2327632.411	3597368.506	3457444.168	272388.9785	296620.9741	4341657.069	5349975.705	4358126.12	3784486.957	627455.5667	1098170.409	1586244.439	3566686.833	2615545.864	3186321.507	638965.5496	1778206.437	3730730.884	1697321.865	4107381.578	3910299.887	583173.4575	3486054.233	3197691.099	935623.5842	1545363.174	3444016.178	2881439.486	23705804.64	16423812.35	6525615.833	17083791.24	12202491.2	18938849.56	10771387.17	31651678.46	15338971.56	10924740.78	22298827.77	13185566.9
Alantolactone	10229813.63	1966093.085	3029452.543	574042.8017	1761076.732	2066876.759	27456149.39	10493186.5	1223467.989	962178.1875	13105219.63	565896.9282	295196.5345	459840.5296	466008.1792	468544.0569	7524313.83	319158.0468	337336.9622	282702.6261	3861049.766	258223.3399	1286273.098	889583.4117	481116.7913	2282321.371	243643.6149	259919.101	266713.6484	302020.1606	892539.0028	263355.1335	2025392.135	253182.9664	328587.5737	892960.9168	412963.5502	864214.6885	2852178.501	631466.2742	1316092.074	1102501.453	263252.4847	311840.7474	227925.6299	273475.6676	288746.1129	202663.5019	285708.9074	252350.0428	342935.8226	671870.5376	251164.2619	304044.805	1230960.16	1413573.576	997972.2221	709199.4737	1313045.117	2079356.751
Alanylglutamine	18656682.26	20999102.83	15868954.5	2181253.318	12033138.99	11060149.05	7285062.514	3470116.074	5082605.323	2540339.842	7065170.919	4686477.15	9490211.24	4200148.463	13846368.5	12708690.59	7708125.012	7745992.663	9030762.67	16395523.23	4832517.477	4429106.523	7055752.063	7752444.508	8788119.524	7998467.412	7966152.885	926434.8369	1296078.077	2768995.83	2459276.93	12608463.64	4834918.505	1151925.043	1291324.774	12148820.81	6311342.776	5891357.268	4497047.11	16857677.81	2923075.45	963269.894	10370551.27	5602777.818	1437559.431	3726213.638	9013008.127	11421167.31	22729424.83	24110944.43	11593368.39	48027275.48	27536170.14	28519863.04	4139868.674	4766548.415	6913107.454	15507693.94	6363844.78	62232811.9
Allantoin	107713075.6	74296153.99	74333024.64	63866930.42	107795993.2	68288496.9	27822834.92	53967914.06	48790011.49	45036503.87	48692791.2	38206056.62	88352335.93	126616022	89858662.03	100726215	85432769.17	63546178.12	167152168.6	45472015.35	91127155.05	124420163.7	113843670.8	60877358.3	28661225.18	23056760.34	40079724.79	15568903.56	12510262.68	43187085.8	27036737.05	33275284.13	35277880.4	25880644.22	27443951.54	29358780.71	69093263.93	84333591.33	66526318.49	70471589.68	47704236.72	46780158.74	48880158.52	59033286.38	41652630.37	38417924.44	35750272.82	35782334.01	84263031.42	99086154.24	113363693.2	140965005.8	70024465.48	85654245.96	31332653.45	35498208.44	46110652.38	61277880.39	32091275.56	65449566.16
Amidosulfonic acid	28253092.98	32802884.07	16090819.82	11194741.16	17166159.86	15052950.4	5268335.409	10479728.82	2823625.548	2667491.521	12204519.08	5147699.05	10381509.42	7598982.618	10185661.47	9577299.61	7720902.242	10151120.04	9553940.731	8691036.128	10703934.88	6324606.817	7021897.618	13863193.93	4832255.808	2752776.674	2567782.925	949010.794	425363.5991	3207148.815	2386633.339	4906490.108	2716152.955	3270770.873	4133113.665	2739390.784	7357493.58	9751151.481	8207202.159	9452367.402	7240856.601	4337850.657	12908294.59	10433408.51	6741449.567	7385803.476	8986156.229	5972954.306	18625741.81	25053048.46	10379953.77	29374416.01	22107857.26	28219905.44	6195779.143	4762486.426	5265675.161	13669472.7	6197529.25	13464671.08
Aminoadipic acid	31258487.98	31248439.33	25714275.34	7272890.244	21532334.19	19275357.08	23727816.1	25470965.23	9622906.255	8102612.358	32001122.41	4368292.039	15558190.28	21665879.25	19561827.32	20172620.11	40426224.94	20087832.97	31223808.68	9212270.615	35232946.9	23365429.02	25368953.89	7411549.145	3843512.286	8279044.66	3529237.374	7137532.111	1567217.705	6148462.483	7446994.065	9608719.065	10673810.86	4512755.546	8290522.258	8776209.938	6992846.027	9829374.559	8169110.077	9091722.2	5892445.205	3626854.708	5543246.757	4821928.16	2977634.615	6771119.919	6065084.126	2899549.559	11088390.05	14559090.07	12082906.29	25883388.12	17962974.41	17329473.61	9325697.019	7083268.075	7592698.267	9883753.467	9551551.618	13010922.23
Apronal	730407.1069	467302.5997	2963967.597	435803.2976	3138029.332	1412141.025	1565051.116	494059.9492	1036035.4	775746.6356	607487.422	428016.2129	3999742.134	6135608.842	3869570.561	4150697.497	6061304.1	4684631.939	5857613.089	2758410.249	5246473.169	1428917.749	2769256.16	1126998.573	594063.0533	346301.0521	886775.8339	1020714.977	1403288.1	989271.1607	1183899.012	1503648.337	701102.7139	612669.9713	425409.6643	1574338.135	3599116.975	1886553.486	2198412.067	3767838.979	895939.1459	1676578.313	655012.999	1159199.284	770202.1796	1306240.49	587980.5264	259225.1129	1489067.135	2435432.686	2500223.163	3193222.108	2825769.387	3034716.65	1694974.194	1160367.865	1956486.583	1982974.778	572537.0998	2770327.821
Arabinosylhypoxanthine	740024.9124	723670.2674	9415790.618	685672.5324	750451.5768	746397.2569	765490.8795	700756.8468	745726.4802	707703.5301	747451.679	695250.6828	2816859.767	843584.0597	28226981.9	43829272.67	34559811.96	869422.1199	37288889.61	42408250.91	750466.0459	11210434.04	8956691.997	757448.9521	9914288.728	10259211.32	102312937.7	67641816.79	4113602.601	144108592.3	41456800.7	16000319.48	73044255.76	60107975.98	106939281	4287578.163	61253555.98	153233026.6	70207889.71	108598338.2	138786735.6	54553563.55	424260904.8	335183224.7	431708419.6	504651845	628620997.2	146958454.8	83378755.98	34861020.67	721552.6879	7383605.185	64545884.06	41415839.15	252955902.3	349663495.8	53205120.11	26649414.42	275748484.4	49890403.96
Aspartyl-L-proline	2572112.16	1318420.205	13137809.62	582247.229	3359522.746	2015352.488	335358.3999	313549.4763	281078.3131	731203.6889	325794.3815	1019815.772	12766538.59	9428606.182	24450952.09	21727003.16	5650301.516	3187556.488	9280840.941	5148876.284	3037984.827	11423074.89	8869498.891	751343.2251	6464255.401	4285735.324	5182777.969	1327499.771	949220.5915	3432174.639	1590890.255	5385661.47	4259151.575	2078996.021	800387.2965	3263194.226	4321414.711	1492381.8	3034191.648	3391167.66	2577309.544	2396492.894	6901682.574	3189626.543	4102847.088	5075878.219	6288116.407	3961202.934	5383697.063	9024155.984	2285006.56	17368191.12	5074975.01	4883977.283	4482554.855	3103810.106	2535258.12	1895213.309	2963329.891	4094332.207
Aspartylphenylalanine	320885.3501	7043147.529	2478832.265	234832.7497	2801113.401	1268215.131	524924.4476	187956.617	557133.1972	595081.5702	314559.6317	426532.711	2744212.731	3757120.095	4613002.122	4413434.474	1412850.723	579002.7813	1831333.058	7699210.992	481014.7836	927396.4484	1163103.623	1588741.838	788839.9432	960595.813	432600.8519	268264.0544	304244.0155	577006.9481	431105.3622	812966.3463	598903.5709	263345.2688	559613.3091	744144.3863	843480.5799	759591.1499	581601.8937	603156.3421	212951.6762	184823.3558	1906870.304	2015202.401	546295.1159	885075.0671	1227729.725	360830.0216	3785239.592	3316164.66	1325403.232	7948952.04	5186066.333	3130745.848	296834.7058	270922.2514	448098.0402	1094020.487	235688.7417	8353419.855
Asymmetric dimethylarginine	11082817.19	6857050.739	15281519.79	14420753.81	28750700.09	17619663.92	10953606.32	7820533.17	19838151.03	16899816.76	11614229.69	13343850.65	30033956.32	31999227.11	27320622.96	27508435.83	19984304.72	27478443.34	14897350.12	19206163.96	25563078.77	15766058.35	28361432.16	23402265.39	10043856.07	7123529.144	6558915.127	5030322.805	5389427.618	9237040.137	8575915.917	9356099.528	9576954.163	9570832.438	9067076.961	13681468.9	15326529.39	14588433.02	11019223.97	17838282.25	7598803.447	6899670.524	13386781.49	21668935.49	8555136.932	14762949.4	12195501.1	3280399.131	11569743.73	16401017.1	25749118.92	16344928.96	16447070.82	18686441.16	9578107.786	10852699.8	8771108.046	10249677.77	9909106.566	12821510.76
Avocadene 1-acetate	15293461.65	5013587.989	6079585.341	1193402.303	338810.466	5308513.978	2385308.069	1706318.454	183738.0965	268941.5032	2237086.427	2184245.339	216432.515	265822.3164	675102.9528	724672.6417	1077619.554	849911.2528	276885.9037	636349.3736	3803945.624	302342.5912	654941.2953	2440633.144	1041841.351	1304599.098	484511.7233	193522.925	551047.6449	316066.1708	510954.7044	311066.9813	797927.8395	505253.2363	1001228.812	1085949.225	317591.5263	539923.041	369178.3203	315233.9443	331965.3169	517083.888	773831.5029	364491.29	294682.5796	519229.1448	612527.994	314228.8978	366647.9997	345280.371	116105.7664	315772.596	684462.2561	606915.8365	513566.5591	521214.5691	385674.8552	591999.3736	524825.2241	502277.2838
Azelaic acid	229142958.6	113089396.5	84345834.82	46439858.98	30838816.59	96509166.53	41831667.34	27779441.69	28448966.8	25255875.23	37770508.58	54203335.7	24055022.33	22646869.36	31205348.69	35234694.15	36686878.05	26524871.05	22198697.36	27869110.57	27868366.51	16965123.29	22803193.53	47232001.8	124069100.6	109142175.2	55182999.94	31807210.02	24247022.36	70549203.36	25407942.73	32076805.09	27528620.25	28227114.2	68446947.65	30706494.94	40430492.66	57589398.62	25263049.94	30608118.9	18196382.03	17226159.15	39072472.25	25384561.27	19820184.36	26814597.26	30713666.4	16801094.03	33571453.23	36118946.33	43034375.21	53333608.86	39638928.19	41262063.93	27635779.31	28643261.15	23545451.62	74069369.03	28980728.15	36395268.69
Bafetinib	65349674.54	108995299.8	81004160.93	93252412.89	82068818.58	89904720.58	106700606.6	100174902.5	101132889	102469367	92047580.34	74035477.96	89925622.66	81011954.8	100254927.4	104163401.6	73569678.56	62483805.36	59984722.18	99731394.95	72422192.61	60974164.99	63223684.97	63016636.91	72719455.61	72987489.1	56093287.71	42022771.08	32166584.15	99194876.92	81491719.66	90650302.15	90249238.53	69026787.06	67261112.15	87381971.23	94653280.25	78344495.14	84597284.91	88404442.88	74961547.98	85907998.47	94633900.65	89995524.21	94901924.11	91318728.31	95107009.58	73597096.73	101777513.8	96197566.28	69844351.28	101010829.1	99517856.6	103803739.5	98734180.09	83647181.44	101763103.6	86903765.85	112111662.1	87390077.17
Baicalin	1225834.446	4143558.339	1435261.821	536363.2255	768696.7606	1035173.627	653936.6101	510513.2987	4120561.255	4329052.54	608212.7457	6176523.409	1728572.436	1945588.595	2459254.028	2694741.463	1830625.499	439674.2264	910209.6851	6145440.011	954268.0628	495056.842	731225.7376	3474781.18	18525503.28	14810616.99	6366150.301	1438870.251	3064151.122	8411143.178	931372.0389	3726500.474	360268.0873	408137.0609	383206.9057	3259817.474	2100389.997	583674.5495	1103077.863	4063559.754	427148.1346	1228936.968	2104045.809	3538486.833	4797590.926	7456628.935	9493710.475	4423776.393	3144380.917	4331169.637	852234.9905	7402139.832	6677514.253	4205317.21	5560067.763	2807207.813	2852013.041	13679701.51	3123113.232	4562317.626
Bardoxolone	5192680.551	7821197.25	6653131.904	3927533.607	7589028.059	8169125.016	9861636.409	5464253.413	4622656.877	4395975.284	8472221.569	1561035.656	3767658.441	2525348.118	1577790.386	3441010.397	3500098.714	3856898.459	3270558.326	4409195.644	3719047.657	1984438.482	3656627.458	2369422.628	4010129.393	4146098.061	2494983.719	2826757.893	3789724.655	2978798.343	2397150.515	1801831.119	2589860.978	761852.4088	2280129.982	4819383.791	4343500.716	4187797.068	3177917.743	2985458.187	3079085.357	2159751.333	2513026.969	3623188.974	1718026.98	2990094.556	2888238.546	488860.6437	4584145.539	4444273.019	3133524.486	7137408.693	6414162.225	5131674.729	5424221.489	3037453.508	4920616.744	5879735.201	4895740.825	5023294.645
Benzaldehyde	24471509.92	17529663.1	22741027.02	13547163.78	13067456.11	17456984.98	20541629.38	9266930.671	25199973.79	17762221.48	12893504.78	17772152.76	13800463.25	8729105.933	23333449.22	19856714.81	14913736.96	17226251.98	12729410.54	15763701.83	13808421.34	8800266.359	11294492.73	10497795.07	25300161.29	21132530.08	7201284.132	3101580.118	2442947.44	13665361.47	9013683.4	15705693.19	10978990.45	8169387.077	8018618.512	12644099.47	9748286.602	9252095.126	8863440.869	10816819.36	4964918.538	4860032.769	16027181.4	10610570.42	6675868.925	10388104.7	17540767.7	4579799.493	19630890.97	10418690.98	9748750.683	22655943.44	19197147.81	16355477.37	10658985.74	11270890.96	8869121.35	16143318.98	10547051.97	17332762.58
Benzoic acid	131066183.2	53726869.82	186326351.4	98218726.17	127035271.2	119784326.6	168274959.3	177409835.3	183893123.2	119462869	217482144.2	108929231.5	113544004.6	83898618.54	247593359.8	255225458.2	72850870.98	71930436.22	103952684.4	108179425.3	92132145.26	64249853.93	63240227.27	60636011.74	240598244.3	212841586.6	69327772.03	41690957.9	6040217.157	137190897.5	65728464.37	122352305.3	88745871.89	64766543.5	55252146.44	100131865.8	104016054.1	102355147.3	79215038.86	91231284.74	71131018.76	54070081.74	132743082.7	89805369.6	78643902.66	117374339.3	137073778.1	42885915.3	166375008.8	144949104	80813431.66	169685844.3	162243169.8	134290616.8	114884832.9	116770449.5	97120341.25	120791302.7	108093654.9	118337139.3
Betaine	2471894905	6192458070	1801911239	1329252021	2409141524	2031980403	3167605504	1951262409	2647988121	2573186781	2047814342	1487868813	2100891329	3996373993	2157652518	2347279447	1349463812	1328103920	810781093.4	1941618273	997966239.2	853688701.6	968877919	2345255216	3060749237	2768931057	999782948	738957068.2	944901007.8	2071734778	1458622248	2246038737	2069352089	1233584736	1628944741	1756080557	1733510938	1491471075	1834192072	1864072184	1373005268	1372246751	1570305084	1533034288	1354767460	1577576997	1795725953	976967138.2	1765592045	2331763173	1431177677	2717574554	1985462492	1520357125	1722587677	1275995822	1331361718	1316969367	1485779052	1459927046
Boc-Asn	6827756.481	8243716.749	6414216.077	983819.0598	19722993.21	6971473.899	4496816.637	3199176.245	3730023.124	3236371.265	4336310.263	1002625.36	6885657.898	8886596.156	18535700.58	19172008.29	9777460.802	6358366.169	5903016.755	6851311.204	10514270.07	4596032.073	9112364.318	1005100.797	1762562.626	1726762.469	1047042.031	392785.2218	473034.5112	1892944.181	6012959.92	14272748.8	19843734.48	1901719.828	2172842.642	16873135.3	6512422.495	8305340.449	6595532.004	5714275.451	6190141.586	6278247.157	1158754.543	2636818.259	824738.178	1753065.924	2424724.301	642253.6318	5546756.604	6820366.157	5312612.965	7679759.136	7288263.417	10017081.83	8882036.39	8644756.018	5263840.365	5243971.016	15653056.52	10030023.74
Butabarbital	12787492.78	7465748.774	45417567.62	7972747.528	45365112.27	16797870.2	3892482.395	2478695.455	8345983.455	6275203.677	3686861.839	8345482.619	93035028.68	69279874.1	144978922.5	142271475.3	15014985.55	12458180.26	62994157.66	29341124.05	13123880.72	43141541.95	50675741.9	14767372.46	9247638.257	5180945.727	4382824.005	1147513.752	1591515.527	6577399.935	6799717.485	8758486.264	9630744.105	4118466.016	3162923.489	4932949.305	9757970.638	16827867.05	9179316.457	9627291.677	759028.2253	5072733.318	15909573.26	9254365.861	5559524.687	10179291.53	10211290.73	1034945.907	24582254.6	38205421.24	14650722.96	92402746.23	24906202.99	28617893.5	10142071.47	8859539.796	7121258.531	33178874.87	7733013.102	8106820.371
Butopyronoxyl	45884528.97	10538049.31	19335528.75	3327884.574	3934309.7	10156022.66	26641728.87	11224026.45	3561309.875	2358439.483	13247235.84	2128526.799	2217501.282	4861958.74	2231505.72	2702179.08	12607780.55	4412124.334	3315052.335	1548575.56	9017676.414	2783421.435	4866345.85	6046092.129	581012.9936	583506.102	464315.3367	364632.3662	280971.6498	628902.372	2327193.558	1035240.182	3854666.552	1288612.824	1918455.282	2689420.765	1613298.978	3167234.724	3326028.849	1686440.727	2011694.53	1783409.828	623773.8617	1059848.038	851405.3082	578643.5815	555253.8236	308541.7653	760690.4827	1047627.952	734559.0619	2839275.738	1397216.248	2301603.122	2668182.338	2450561.044	2245060.636	1799970.961	2404614.68	4770383.819
Butyl lactate	847576.5985	1170426.056	1280211.585	1239863.527	1029594.327	860993.0535	799545.6993	1229273.418	1183837.228	1129282.025	949268.8025	1591057.462	1192697.711	922371.0591	1123254.772	981634.029	1000510.946	1112604.105	1010972.942	1347775.5	1076913.933	869524.3107	1053816.553	1201792.735	6036703.512	5356342.083	2052549.88	1410766.64	1221078.826	2704567.482	941564.9967	1460255.857	994970.4797	1096155.093	1318874.434	1195906.055	2318279.357	2947748.31	1345507.782	2038822.293	1478108.135	1370042.571	1512758.69	1345010.248	1407355.557	1622750.279	1849980.047	1123578.962	1296516.52	1668645.027	1207420.936	1553766.219	1831815.037	1486771.664	1154975.347	1288822.514	1102751.279	2039499.556	1328198.058	1041678.962
Cannabidiolic acid	125307110.3	5025886.916	33231241.93	2174664.641	275327.1205	14915393.86	2350381.352	2456977.019	280471.4814	266049.8229	3387605.629	5305079.976	236332.9411	207903.3214	238731.3394	242841.8257	1498809.502	1378793.729	305257.7677	287163.9246	22423669.53	176803.4219	4808186.279	8001791.567	398121.7361	258748.5217	240493.4963	215727.5498	217597.4154	255629.2247	243166.0566	267327.1625	329121.4493	243943.0787	239424.1395	319716.1167	276720.4587	269773.2948	270130.4569	286797.8058	236856.2209	232407.5576	302326.2117	275259.5142	235064.0936	271614.2767	295293.942	188746.6772	259409.4101	218149.3355	240269.5122	260259.9338	261326.6237	286532.3213	316811.1877	302521.7071	271318.4096	258854.1551	275167.2281	279361.4806
Cerulenin	104966.9648	107512.1618	89833.29916	78030.14373	89445.12913	95238.74406	5885295.058	3087477.849	6067725.781	4983714.734	3463221.152	88040.87174	86660.94228	5231686.651	91725.80081	125240.2413	3725602.345	262302.907	252685.2305	3980057.911	12858921.05	231972.0775	3151374.158	110308.6112	338193.824	342622.4837	112218.0507	124401.703	208826.7875	461095.8183	1699272.386	2018742.229	2170214.071	81629.64105	85087.60861	2648249.04	68845.27506	83560.92141	76076.04657	83870.09509	72810.35636	72006.32247	92200.16187	89612.19513	73112.20974	85230.46341	83543.54858	65820.41773	87139.20109	84873.31536	92713.79954	95879.98334	92797.29809	103155.18	1776130.439	1238663.788	1844384.701	603659.1535	2164204.552	4871130.688
Chlorpromazine	4405443.201	12343775.95	10406571123	2938743.178	17096631.96	9621643.889	2760468.988	2079804.373	1905084.69	7265678.002	1108588.399	1369457.39	14569270966	5985076363	11571289638	12829313643	4301698837	5039306218	10409732766	8405412506	5148176064	4902120207	6484272296	6951328472	2081603.594	1271455.944	606672.5717	520426.9447	3596950.981	1402657.981	892867.9644	1235120.146	698295.5601	5891822.276	5408567.834	1532893.535	4691069.93	12255239.28	113943185.4	3135029.975	20698103.14	2920050.838	520134.0026	485598.758	673257.0307	1284726.283	6851835.713	9644471.23	6883256.597	3501989.135	8126773.988	2673546.95	5632872.711	2332776.383	11756242.03	3124122.024	7276085.691	2550936.042	1893299.075	5266118.105
Cholic acid	58351294.17	292363.761	2569848.687	6326522.447	6078091.583	8001157.026	12827385.78	89742745.37	3407361.881	2962708.093	111886584.1	21284736.09	2500673.94	1724991.752	1330917.947	1475059.706	4642631.704	18492620.13	84281773.17	483053.933	33572295.69	4740093.754	13553556.69	3991463.009	257104213.1	204937244.2	388031.2636	565439.0883	1285216.413	22434584.4	245048.8274	12131864.8	5827108.393	6396523.417	8198765.51	7814789.882	13175064.2	18511978.74	5614847.536	3373072.72	1428748.596	18577101.14	506192.9412	764877.4641	881275.4401	1588789.382	599915.5832	490634.4052	78114992.6	33015973.17	1416528.903	61846339.93	16268556.97	56787050.33	18702182.05	102092947.4	10396877.46	149736059.8	13250423.23	3624364.154
Cinnamoylglycine	122275267.8	71386167.36	108775108.9	65768485.23	163402149.5	100148547.4	55972098.95	64607399.68	52793143.92	41795305.38	59673462.83	78142576.11	100428483.9	130677409.4	120596503.2	125240352.1	43200886.03	39955718.26	63392218.56	38943301.15	57220479.28	51572073.29	46497776.06	40399727.78	33521940.2	25072987.78	22822463.32	7277233.416	11038291.19	51342445.98	22440476	34192769.15	25929993.85	28532292.65	29816130.76	61455044.32	85402355.55	79801671.16	40641753.38	65648356.42	33198550.89	28137880.89	22574718.79	39294443.46	17044647.93	31593448.59	46010071.85	12110548.63	174342519.8	180115122.5	131391338.7	274935602.7	153633897.7	242619114.5	35668204.05	41708603.95	33956504.14	106096951.7	51875143.46	115639587.7
cis-3-Hexenyl phenylacetate	10863505.47	3696448.817	5371247.807	1174371.14	1363188.761	4363879.204	17946562.81	6937840.115	1168683.922	1047462.279	8843842.557	1588293.341	550719.1144	814860.9364	741289.1088	506377.6732	4228225.867	1962005.097	899424.3867	371681.0621	4763136.391	362724.8525	2186297.424	2369873.524	1080845.282	745200.1173	334509.5301	285032.0988	357058.2151	407621.6507	750087.9956	735239.8813	2053742.88	440804.064	853079.3654	999260.5125	622042.8075	944897.7239	1281317.849	594486.7896	742149.4901	744518.2701	431439.158	704136.7822	359319.8241	561794.3759	467448.0686	294946.7374	489530.9696	527210.7457	660582.5016	670404.0896	347055.0319	488166.3687	717738.4785	1407597.225	571422.7767	1131214.137	811066.3355	1432041.589
cis-4-Decenedioic acid	81317626.6	27071080.67	32953097.36	6222134.784	9143884.953	19663463.56	27026377.45	19939057.47	4894257.676	3552979.907	24457568.52	5069699.516	9123211.157	15422448.5	10189575.23	9461790.698	28245918.34	16213365.06	10680500.09	5993922.957	19109114.79	8794486.03	16598169.63	10776688.12	3062000.87	2341972.038	2811483.107	1220520.999	1784293.61	1849504.256	5228607.565	4041003.76	7989333.342	4896505.719	6651470.494	6311875.019	4377396.408	6756211.516	8891648.941	3542652.923	3434451.693	3612880.875	2612785.025	2209622.971	960449.6957	1537650.419	3712189.186	955372.3804	3585218.064	5857701.028	7381745.055	13267576.6	6072804.791	7254016.755	4837747.781	7393386.584	3313015.297	4983168.139	4377835.17	16969455.52
Citric acid	3088769871	3336095949	1586040698	832657418.6	2147336424	1836063118	373586994.7	1498639693	365796168.6	688445469.1	655750711.8	716448854.2	1209046523	1462706304	1528354987	1751363608	1368977054	1640175685	1433797894	1360825097	1614372622	1031717833	1985028226	500561264.5	535293551.9	633961752.8	360414658	204696702.4	178486282.9	414354742.4	377601858.5	400448171.4	857776262.9	456526246.9	287823411.3	515575402.7	1006366195	1072475038	831420396	1096180017	212639176.7	522937596.4	342119828.7	677354697.5	398976372.2	226295186.6	1045493352	235687033.2	2172099146	1868046970	1428576837	3513193188	2526327655	4498694753	844434386.3	899486590.4	607365237.6	601451566.9	937924509.3	1788738669
Citrinin	10525843.08	8593564.907	10093679.24	7916265.68	14710699.64	10362486.62	19121593.68	5559740.767	11826685.38	11361117.9	12261025.19	12754281.02	10550862.45	9419141.173	10718596.89	12303973.23	15459372.89	14478618.15	12067827.24	13953296.97	10376072.37	6702549.904	10063326.28	9284485.969	20736650.23	13523364.01	6945100.147	4691417.714	3736945.965	9010973.366	11518082.31	10958698.1	15688798.53	18622537.35	26285064.43	17363757.13	232142.9761	13249271.65	7658224.411	17195667.81	7977260.023	6585810.673	15884693.88	17591295.32	6608005.54	14644477.04	13697310.25	4783654.888	9188951.548	7253433.248	12911875.61	9588749.946	10192748.66	11130070.99	15429327.78	13911936.56	10034701.18	9587438.971	9534025.052	15679975.89
Coumarin	69896166.62	27105456.33	80547861.55	42912764.16	60030364.4	47609945.77	72493840.22	83026539.24	83323569.2	75712501.54	91484183.16	50958621.86	56207786.61	35957978.09	125210023.2	122611597.8	31194005.68	31869631.63	48250921.43	46261515.79	34089616.27	30237887.15	40053592.05	30688073.29	110618543.2	94887772.93	25578517.61	14555840.95	8910726.481	47769356.67	29705240.5	45218550.1	34409270.74	36718528.97	26237991.79	36841565.67	48995855.17	45458635.55	33241400.04	34667893.22	29771436.91	24665243.37	60788526.05	37852209.09	36386543.73	53675445.1	60711120.27	21467813.31	85271261.58	71705441.46	41548204.32	79889991.32	75509028.26	86557425.03	51002000.74	50903117.2	44865962.13	58838251.55	53487557.69	61965427.11
Creatine	285193289.8	857165766.8	413772652.8	177238590.2	550987792.7	232845023	524539095.9	198990562.8	372936579.7	348244614.1	221671468.8	153592631.7	696122051.3	511823945.9	715124711.5	798856458.3	421384049.4	261864197.8	284337990.7	695696908.3	432942456.9	366460143.6	502859875.6	243423547.5	265424307.6	245884930	276356247.6	145389300.3	182021163.6	355917246	381450707.7	449039985.1	366557367.3	181073781.2	148664854.9	542337896.8	731701132.4	922900743.7	689572827.7	656023752.9	327875068.4	436294587.3	476102495.6	513712116.2	342058562	511209594.1	332173193.7	249497464.2	452362790.7	320614682.7	329490038.6	306324161.4	386702038.5	595937600.3	314514170	510958194.3	386069996.9	340423668.4	552940852.4	506116855
Creatinine	33847108.35	91249559.4	53826841.58	43120767.89	118852142.4	49869627.43	36735673.41	24210141.16	46301095.42	34841394.11	34933791.17	48608971.93	91044663.56	170929224.8	99927013.35	104493773.1	86639094.15	73628932.95	60487492.14	82196457.3	72215684.66	59224037.91	73441330.94	39853630.15	51453384.09	46122038.17	49402496.94	30100483.33	16430725.81	55514748.32	29213428.85	59810753.36	31196618.33	27907263.9	24935224.35	48813689.99	120976798.2	90081938.48	76737270.15	117960786.2	76053853.39	81776339.45	61117864.92	103891275.8	67288888.63	62976824.64	78399814.28	42830775.48	62194683.79	87116857.14	107750055.6	97697351.36	71245942.13	94900540.31	32290559.86	38281842.86	36377214.38	44149040.78	42186200.18	59699165.43
Cyclohexanecarboxylic acid	11352207.08	6698354.343	3198005.085	931902.0057	1128722.572	4480084.676	5215241.485	2828766.757	657194.7577	518699.0403	3961193.362	394717.5301	1078656.185	2493366.518	1229470.695	1431060.987	5719460.911	3508272.193	1290485.608	1302023.989	5595235.798	3245636.507	4652603.778	1734870.999	338207.2349	136547.3244	341226.0391	146546.3363	211913.1294	355073.5516	2295331.707	1555012.875	2232552.837	1034719.364	1419580.455	1115282.737	497605.8707	939505.7864	1062021.042	704877.387	499395.2895	820572.3976	630177.8894	317271.3334	262881.4738	265871.0313	485654.8114	303598.5573	587570.8471	767134.6928	670225.2973	651295.4485	715492.8121	852823.9196	980869.8276	1024882.606	716324.5953	922119.7005	1020664.697	2006599.203
Cycloserine	14905247.11	33710638.36	10357873.8	9405585.224	18787619.52	13714541.63	4785409.332	12194067.68	2301712.739	3853014.781	7907512.415	5703487.328	8416652.503	9954801.529	6351206.554	11603844.26	3530211.702	6931925.053	10906389.08	8045036.657	16408337.53	5581627.807	9837828.912	10041128	2668278.116	2495478.279	1314650.632	1519958.517	264375.6722	4103928.915	3033855.291	3503580.711	2219002.869	3124017.48	3863291.818	2947664.906	8656984.083	4583138.638	7038489.136	11758322.8	5957990.763	5073391.773	6677871.55	9854083.217	3259924.568	5863659.077	10004930.69	4370677.995	22454101.4	14035600.4	12292281.87	15963047.23	16916973.99	32758318.56	6276597.508	4738779.116	6202519.251	11601204.4	7801872.31	9010056.1
Cytidine	4572767.549	5818161.557	8363613.28	4556889.777	11579974.31	5236614.135	9688163.405	6059796.483	5798344.151	5447836.543	4822864.35	5785903.72	6147758.486	8836149.356	10519329.5	11666279.43	9934261.727	9142521.118	13337577.4	19003295.9	12448093.04	12639260.37	12674032.69	6287429.066	5682303.541	4312134.312	4042421.62	4042690.597	1241944.237	5059604.869	12441983.01	9668986.556	9460929.646	4745711.297	4628849.333	9435404.903	4578248.811	3966004.713	5304381.957	5706625.955	4598806.184	4546922.271	5451316.172	4670581.796	2646085.293	2209111.506	4743626.459	2569800.042	9338991.42	8872417.76	7421417.985	5815350.405	9782469.609	10379423.37	10851177.11	15906453.77	12300694.19	7425429.084	11649250.58	13172340.86
Cytosine	3553672.934	4362797.613	2927605.493	2824190.541	4462187.308	3459300.057	3182269.399	3142744.946	2659372.963	3311484.599	2758427.269	2092227.017	3441424.154	3926113.29	3155094.626	3627337.429	2866351.849	4916489.861	8080164.79	4327511.962	7609147.517	10056814.91	9491317.075	3465328.971	1971549.314	2382689.666	1846070.529	1491831.969	2393552.137	3056958.479	3770784.209	2833772.925	2924815.298	3796502.106	3034488.17	2811950.16	3207839.084	2394413.299	2728497.957	4099144.294	2704257.478	2779736.993	2625621.709	2823171.11	1788183.362	2308889.364	2357718.223	1628608.847	4364059.211	3969082.675	2772349.838	3084812.427	3408019.63	4844359.71	4635779.801	3632740.476	4221076.911	3205468.008	4405246.663	4516221.601
D-1,5-Anhydrofructose	52620987.64	200187842.6	89784728.84	104420553.2	449811688.6	157958470.6	134863659.3	39068442.98	174937415.1	149288637.2	43599600.7	96443528.99	228508486.6	498111857.2	202171869	227880872.6	179977542.9	178348782.8	76791204.22	316188012.3	123693617.5	55363237.95	77833483.2	202311202	134138517.3	131000797.1	126026899.1	70071169.04	54691329.01	115319445.1	76669962.19	153664239.8	123276279.1	84127115.3	68799711.98	169308883.5	475857887.5	156367009.5	153821566.1	305628005.7	139211259.3	133209054.5	134958203.5	403033482.7	113921474	187640660.2	128661549.3	47096425.61	250990527.1	213271311.3	371227877.3	227044962.8	233367121.3	355625796.7	67561830.62	55493940.74	45996709	43017316.79	93895945.94	85744562.02
D-2-Hydroxyglutaric acid	13607546.67	10402055.21	14123346.98	4764163.776	2941258.748	9319416.589	2991660.107	5254443.648	2475386.496	1675407.367	2615038.506	2844919.907	12018216.53	2655482.738	2556462.852	3752808.581	21586670.86	36035012.86	733286.8942	18023127.39	14783386.73	8522677.375	13427777.23	5587159.569	21938310.99	6549876.848	3808622.792	9646736.938	727636.2206	4191129.724	4677851.357	9892353.257	7824156.859	6941230.479	12441300.1	460441.9802	3061090.103	24924408.78	15416740.68	3225895.213	8753736.17	2504561.119	13849794.84	5053737.574	7594210.269	9135779.345	7765535.029	6364946.825	27041537.56	45970762.45	13304695.95	80993134.64	27356683.7	3526709.285	1451518.495	11689779.57	1638399.318	34095825.46	3158136.142	2553102.822
Daidzein	417078.9042	609714.2065	1254748.215	375698.5906	529644.8069	428486.9158	339874.1298	358349.7793	1313815.815	1129714.271	407736.5407	746163.4408	889378.1148	1374750.221	3061686.949	3094510.473	554060.4241	450699.3245	491317.9905	2723887.842	458320.1211	313067.5758	376093.9315	587112.8565	5630683.788	7183617.555	2467840.597	1075985.978	2144826.238	3376821.754	502102.5341	2061007.511	535619.7967	528125.974	355834.1567	2241887.628	1405132.888	534037.192	763946.1867	2568229.829	521145.4777	385060.5931	7842214.118	1084416.934	2177859.383	2899159.182	3853496.174	3353975.136	4052168.65	2729162.402	436406.3703	4396264.627	7789026.871	2996903.172	1409682.115	605609.426	1944489.412	3512678.712	657176.5225	1813301.216
DEHYDROASCORBIC ACID	71976627.53	49375195.17	26042753.94	23024349.26	36391714.28	36838806.63	12350911.99	25133748.19	13470203.41	10848481.7	31096392.62	10310830.14	19491032.33	17829411.83	25145590.97	36155000.07	25859206.18	28330940.8	27895083.27	21593767.37	37109487.83	25989103.55	27123908.83	11102075.56	7821750.594	9559414.946	5597298.248	1857127.494	2654555.808	9837312.392	6704194.041	12543896.42	15073596.9	10898096.32	7437962.038	10116733.05	15527877.44	18526506.53	15169730.59	20481108.8	12547183.16	8084478.673	17728177.89	12649124.28	7924846.685	11621413.71	12175311.71	3264795.438	39263856.93	46073532.55	22489534.55	50342208.65	36359733.33	46789881.71	19213821.37	13542724.54	9253120.793	32533305.54	46565793.82	19981037.91
Demonomethylchlorpromazine	180712.9715	166728.5534	472712586.8	159131.2229	460364.7422	186408.0483	208776.489	143134.9609	175131.3411	182722.6469	200878.3352	197526.3371	1703511028	1180682018	637770943.4	638861331.7	930709039	674809121.6	1501710467	968185504.1	828502655.6	838812664.7	1193034885	790121578.9	347149.9281	354449.8446	197995.0894	179036.7863	265189.1535	214571.8686	159259.5513	160551.8025	236281.0507	427629.2946	898745.5649	201187.6298	131757.9413	189192.4154	288011.9597	227256.8779	172654.2888	129310.3942	216508.5979	226297.6964	163249.7946	220858.7607	237262.1807	131867.559	296981.1374	192597.9268	209957.1326	169871.1074	169499.4262	206291.9907	222930.3023	213415.88	152057.2072	170080.8907	182612.114	244111.7517
Dethiobiotin	2689210.006	1124558.949	8351481.829	1349309.345	1746513.576	1419181.993	1478745.45	1411642.819	1778648.268	1361760.052	1694432.662	1773506.609	25310950.83	3648701.988	34575693.92	37682416.7	842557.7747	1048663.965	9423252.73	1488504.869	952210.7856	4086503.703	5562525.985	1329161.462	2954371.77	3459840.379	1950868.778	1019147.677	1197019.633	1508321.967	697445.0029	1878891.509	871759.8644	781425.0593	806899.6533	931923.1568	824181.2907	788530.7799	865456.3489	998006.0505	995839.9942	518285.8148	4344463.3	2129820.124	1439493.787	1072303.428	3240489.402	957894.2739	1470915.415	1463955.844	797120.2314	4341879.425	1044800.973	1175959.701	887496.4965	796685.4179	953822.3526	3034459.055	881460.4972	1971552.915
Diacetyl	3064574.182	6193976.585	2991039.342	1995386.348	4981219.935	9113962.234	4904048.187	6008232.429	2011254.383	5730691.568	3124870.617	2791285.885	2475787.499	4344333.743	3110388.357	2937573.121	5761637.05	5265336.318	6556655.971	13862442.23	9803299.943	2112573.399	3655032.925	1475531.422	5616345.957	579122.499	5529594.792	5194748.371	464725.155	755604.1471	2702084.635	3069266.684	2387223.982	1900374.051	4833797.625	6687871.887	4680283.067	1631157.906	5521484.701	5479930.228	3997098.134	3573499.664	4333480.619	4247800.201	3613315.687	3682895.733	3773210.005	3556668.302	6561138.912	3719041.79	2570829.692	2854671.886	4784899.863	7591519.126	5978247.871	10658955.16	5639157.075	4900585.932	7401263.428	7490300.097
Dibutyl malate	92420921.38	2856168.709	16575843.6	3285804.016	787899.7346	9300948.437	3710728.526	6621500.373	810218.4717	637878.2151	8115217.684	5428577.769	930178.3202	904571.0336	1704234.736	1717503.972	3640803.1	1622503.388	1051215.249	888465.2127	5333775.36	695944.4739	2087040.429	6878917.744	2186996.22	1746500.905	1022934.525	710184.5198	751387.9018	1179896.112	683589.0029	772148.1471	842543.7001	1104174.229	882805.4677	1099657.804	732094.56	663176.9585	618493.9627	722422.833	656252.9561	393802.0629	881975.2448	736766.3641	559875.7137	643049.9223	901476.488	496806.1509	617633.1548	1115263.154	919244.8801	2258805.185	1253201.589	1380198.371	953262.9515	1242956.391	896679.7285	1647003.538	896783.2815	1441646.841
Dibutyl phthalate	341065.3433	341132.0787	300027.402	248391.1663	278838.0352	236818.1647	2196713.735	1332120.97	2576908.718	2438969.655	1917767.718	245830.1353	252531.4659	1030230.5	641645.2838	385008.3501	741764.9205	498328.4245	678463.5575	11912137.34	2289931.849	412399.7087	818828.6504	173599.0514	560252.2949	339974.6677	274990.8825	177915.3922	336617.8547	433009.3691	676535.5736	1208085.715	923342.3902	502142.9539	364882.9637	1576867.709	208368.5391	602661.5628	377134.5615	310229.4635	316234.5029	270531.076	544945.5857	332965.5812	217873.7784	348384.9029	527082.5481	335390.4232	327846.2922	489394.4416	202771.594	484876.7388	548012.2754	545220.5159	1096299.532	844128.9751	3363029.855	1240228.742	1918085.141	4257516.12
DL-Arginine	565115435.5	365049368.5	523924599.4	382702990.8	471526624.1	421858811.5	358054208.5	283903514.2	577547987.3	475402501.5	347291615	467180175	518742731.9	347326712.5	574991928.2	655975748.2	193689791.9	216715464.2	256091366.4	583230083	319190474	229797039.5	291603616	270304089.6	469623265	364962575.4	506349173.1	377777189	253216879.6	580845589	146074439.5	293193940.8	189270233.6	219045559	158009159.5	244437063.3	354976264.3	258302692.6	245262784.4	186740494.9	198792680.4	212485633.6	808435076.3	660119250	518041073.6	705529223.1	976602286.4	399893435.3	692953786.9	444872346.7	326978794.1	634419068.3	397543498.4	463479421.2	297131714.4	226872078.5	335070458	343402683.3	293621765.8	233312810.4
DL-Glutamate	175967177.3	161707700.5	130396789.5	89176009.44	132042398.6	105363158.8	115536323.3	76649649.03	161974866.4	117284705	22472647.92	109141360.3	157840323	96499686.32	128171530.4	140408754	104959398.6	115077040.5	156987304.3	117349360.3	99814252.78	83153647.27	141287982	93437086.17	230509613.8	201261737.2	76927297.16	52625490.76	59757366.71	143334179.3	134266326.3	135582810.6	152976489.3	130551128.2	91833405.03	132704770.3	80577566.61	90520538.2	87752342.75	79262216.87	59291369.51	54529863.8	127573734.3	60659395.14	86617020.41	104496561.5	123725576.8	80876032.07	205287444.5	124415360.8	105148652.3	178971896.7	119275773	183062895.1	136190172	156254936.9	103324310.9	172276214.7	222380946.2	86712912
DL-Glutamine	292529737.3	326946236.5	308607863.2	346667574.1	508527392.3	237001279.6	488659666.7	322530187.6	467710808.8	353149791.5	316622741.7	391235909	432043549.8	482438799.9	324086608.1	547474191.8	385393394.7	484529440.1	349088880.8	419912703.2	284826739.1	340231452.3	470088451.4	309133061.1	662171655.5	286342437.3	271340446.3	197522344.9	218503463.4	432911092.8	267835645.6	359222921	375220882.6	412808476	291565132.3	411424418.6	259451333.5	267916069.1	233214070.3	210682839.9	183354420.9	135123787.2	199270385.4	239078650.5	243740945.7	336087523.6	389797118.3	198322398.3	650743906.6	422379335.8	400989912	317194147.3	408076438.8	588807535.4	479919532.6	369790108.9	391367533.1	541532423.4	612331080.7	376330701
DL-Ornithine	59943747.63	26780550.95	54489391.9	32329172.62	24612309.7	37129196.1	40041456.02	32991067.44	52567191.4	47277689.71	39568492.22	36275631.65	41741145.06	27248356.57	78010103.84	84718363	31663278.4	27472904.3	33049849.41	26353988.24	22280504.24	21858306.31	23475331.95	32198513.18	77253530.49	78059646.04	63318882.61	53472496.23	52192744.89	54191728.77	20167337.25	67479354.76	28973333.76	21222575.65	17953390.86	58628537.77	22489738.69	19636146.82	25702801.34	46644612.52	16189945.73	21162434.3	56248910.57	28791502.11	38440488.09	52241358.14	75365955.64	30258047.29	34844360.28	46982873.09	20494643.55	33545629.73	72228439.44	71166234.7	39552654.86	30988886.83	36777782.13	36870275.79	29258494.05	43941380.49
DL-TYROSINE	3602979729	1243634813	3334299705	1785475647	2433488361	2065946559	3260954914	3215376689	3759954475	3113325806	3656664571	1938041966	2602184358	1508634253	4764162691	5230739614	1404405547	1451811358	1903992413	2280706744	1686948670	1120606945	1605730184	1259923117	5214558435	4663055304	1737481129	992987024.1	898045765.3	2373057379	1421097740	2339225232	1583489376	1418262679	1066774405	2038258711	2159937689	2097931260	1518637703	1918072455	1389600821	1002261069	2964506763	1631594817	1582552409	2292553853	2666204851	857350074.2	3683645126	2918324776	1732906015	3569423606	3479250320	3566536829	1957525032	2122087468	1705076727	2578468276	2073910223	2201952634
D-Malic acid	242308291.2	544579965.5	362453101.5	534447708.5	281075188	246173779.1	216112584.4	173938627.5	149110627.3	130832833.3	148874708.7	113832971.7	506606114	750590058.7	798739184.9	909877296.4	306896074.1	293062065.5	583055533.4	594791870.4	394683793.1	691633586.1	1026795483	220873618.4	322040656.9	302427222.5	113254398.5	61894619.61	69885893.43	247134555.9	204135316	231832945.6	285345052.7	127822107	101564802.8	279596409.4	152244246.1	258245787.5	472787548.4	254558127.2	99036334.17	155354767.3	256394544.4	54336248.33	57451359.57	99029471.58	154754264.9	47665911.05	1022566195	1383284962	659369858.8	1198798743	763175236.7	1222263851	479987686.7	452549783.6	797271074.4	887109595.2	724698186.1	591641485.9
D-Mannose	1226004159	5593782178	5315606026	4811705636	7518292896	4191934935	5657052787	2142297078	8304032961	4254371084	3291702266	5548316061	4653990968	7781278876	6242932693	4456315597	4112302334	4409412241	1544616236	5895176585	3830896007	3158600763	4316241816	4921578499	2979333389	3778845187	2535029520	1413493586	1592652586	3320760866	3432089882	4110080864	3549953864	4945848274	2793394190	4594964602	7616619616	4149988548	3889884932	6039678140	3890027123	6288635210	6438539265	6987773110	5887525242	4936511670	5919309383	2552546647	5118846802	7059659576	6538109407	4654284497	4503426625	8974958186	3008296723	3001721955	2323187465	2135146289	3431545257	2615291386
Docosahexaenoic acid	18637057.75	13990941.91	14613732.06	13423316.77	6919654.81	17157799.88	6476880.054	6497731.32	5121921.323	5273673.612	10057277.86	5791111.298	4914530.976	4513010.398	3609162.335	3209842.975	17163813	28310900.58	24100133.19	7780897.862	41819764.52	8153175.43	21610497.45	7925633.684	146047.3118	218956.4888	172182.4527	121814.9476	100777.8823	1017447.7	6847501.948	3476787.3	6962770.158	2608009.276	3294238.584	3424866.428	8915218.925	16462340.83	9856079.601	9326926.647	12056360.96	7440040.869	3941626.053	11326306.37	4856466.604	9132998.842	8924425.707	1655250.243	2756583.345	2763892.516	3513647.507	1759706.479	4539288.378	4705098.613	6212784.916	9332480.772	5402811.213	9103119.17	4478990.806	7319205.191
Dodecanedioic acid	135940637	30057204.07	41119490.55	18800590.62	7709847.764	37648556.98	24146118.78	24386289.32	8871863.46	7782378.468	30946716.78	21637348.81	11350569.07	10612555.38	13066170.27	13552592.83	20173195.15	16831777.37	14668377.15	14537469.74	37177894.7	7247513.56	17777681.06	37395268.5	13781201.15	12369679.05	3971636.427	1819840.139	7370497.825	3959890.043	2671018.476	4564766.976	7644460.524	5173963.362	8317968.021	6181166.694	3057437.142	5211933.306	3373773.527	2976299.977	2828595.241	1774965.481	4794480.072	3337144.873	3188303.392	5534341.543	7996894.457	2178244.76	15268620.42	24683034.44	11964576.97	39997602.22	43167298.17	37265418.52	7150103.636	6772536.623	11782942.14	41655022.7	8749376.485	24518176.52
D-Phenyllactic acid	9145399.103	34552169.43	10136995.1	9046131.89	19103489.97	11406126.93	9570065.528	7970048.126	18395797.42	15266013.24	8732196.592	15020779.77	25055056.92	15310818.96	22820166.98	26038848.1	12511623.22	8503368.433	10384245.92	23507527.21	9060027.52	6658390.567	9580436.164	8191782.992	12351354.52	10804176.44	10537653.43	2016035.137	3214971.453	12023807.72	2866692.475	10927935.9	6460933.173	4586017.791	5068597.209	4505088.277	14351827.37	9167589.527	8110679.286	34762347.45	3793422.314	8125399.814	11757123.87	18820474.98	17680487.58	26748095.4	22524898.11	6334109.034	39092091.16	32776502.63	20184603.98	56638573.98	42564492.47	48549537.97	7509010.16	10971553.69	6862575.475	33658749.26	12050337.92	14972158.74
D-Proline	169489296.4	160588256.8	318435435.4	158587682.5	164860402.9	133927282.9	159561805.5	147076790.8	217432297	204725624	179363478.2	191076669.6	258657005.5	145617158.3	334489675.1	368762404.3	88066961.88	79934355.73	141672360.4	256530887.4	100307371.4	96826806.09	115387972.4	114446476.8	596677804.4	509947701.8	170292680.7	133849694.5	122035502.5	229170413.9	106523403.8	220577714.1	107192479.1	86407685.5	78323120.25	211512996.5	157534660	145911293.1	131277403.6	179848157.8	92653813.48	92403989.31	357149415.3	165358616.8	186322628	231804028	283665130.8	138476948	304521773.1	249500825.6	109370222.5	402681164.1	299461052.4	335730252.3	178585226.3	167048459	199831813.4	234371381.5	197276000.4	152674798.3
Drostanolone propionate	25969836.46	1454284.006	6311793.724	5855281.955	1393647.592	9839622.929	991808.5373	875114.9359	1530550.648	998599.6371	1214930.163	57682365.69	851290.4772	858361.2516	933169.6277	871909.7358	1058796.446	7032326.778	6528787.503	11572476.77	11026853.38	7179272.961	11202776.88	6438709.641	1617778.263	1581094.593	744129.1264	737299.3793	1038652.394	9185106.067	724682.0392	788784.4718	983221.8016	13834910.14	18693321.6	1065066.913	1060753.571	1174820.994	1059055.881	1319943.195	734130.9165	1092145.21	2139109.138	1075758.753	1043612.026	1283452.975	2288466.685	3152053.203	6027310.174	6364616.634	1126247.123	11269894.46	13489850.55	10878616.75	1038032.048	1337295.901	1313595.378	4784751.29	1039274.116	1141629.121
D-Tryptophan	3077821083	4148305015	4142291108	3686020840	4252262004	3271659248	3271107581	2052301028	3787090431	3184160770	2446172159	4589728296	2276674104	1716224850	4006880749	4298683655	2195475703	2310176594	3790292311	4539780234	2819128887	2035335546	3048224381	1761203814	8444997756	8530075058	3841856823	2451891860	3029756871	4400056925	2840562634	4707622421	3357070188	5636634913	3711486431	3508411023	4395482366	3077141671	2701691118	3483146665	1957913325	1627342024	11248368088	5590485265	4639173600	6441468871	9148994805	3908886716	6460033385	5195229733	4556090992	7231759480	7510822760	7707448045	3977778026	4298728400	2340240155	4583185198	3509357472	5289000596
Ecgonine	9148589.492	1939369.306	5438892.405	1412698.791	3464375.999	4804254.65	5258578.506	8740956.364	2808144.736	2196891.723	11216880.31	2163968.333	3605899.459	14776003.44	8805816.255	9106988.334	11623544.2	3557374.244	4242513.058	868343.068	3416458.88	2672016.9	4948468.038	1172375.037	492163.4334	728320.5879	836295.5888	1526831.552	915066.0324	715329.429	2173980.631	1562092.948	4566111.535	1790288.216	2120485.814	1125457.859	1453365.897	2933335.63	2575760.388	1769088.935	3672654.631	2029282.181	521369.9486	890787.3099	434716.8024	519410.3606	676379.7524	427132.9337	1863340.131	2508873.402	1882430.297	4211802.048	4483238.412	3045126.857	2164910.39	2640728.997	1373671.835	2425603.469	3429456.907	3314151.907
Ectoine	36792044.81	9043125.32	22066535.93	72739841.73	47566439.24	103844327.9	5995182.381	4456887.726	16981328.15	12706543.97	3773718.071	8854908.23	9231075.126	8797585.614	12146653.77	17852721.01	5197152.372	4250862.693	5821446.188	21891922.06	6666210.815	3020770.461	4063634.657	4727074.862	7393455.418	8969217.259	5732121.987	6244537.168	7212584.62	10615018.92	5446152.029	10643962.65	7476516.941	6148189.661	4989831.973	10903821.3	7849513.802	6240109.828	5860781.062	5778517.662	5737521.991	10254617.21	7705953.68	8408188.196	9675724.432	12743386.12	12657214.52	6495766.066	15731902.32	86601022.38	88455232.82	248494148.9	40542089.14	44017182.2	6469555.759	7226178.709	7833605.868	8633277.602	5804118.727	13601704.26
Eicosapentaenoic acid	8172512.83	3467259.709	12638557.29	1939958.085	2390371.092	3149701.473	6460475.871	1955879.119	1917927.292	2143998.075	2241319.075	2671056.466	1981231.768	2048227.506	2049135.86	2093003.226	10188266.2	7782138.584	2056578.465	2190827.927	10072413.39	1491076.548	3862770.146	2476379.112	2816757.52	2390852.38	1608070.866	1436184.876	1364937.858	2052446.056	1518786.351	1683270.836	2220495.487	1844880.108	2306770	2062534.125	81003145.19	178175887.2	69789429.55	55641849.68	126337797.3	31778105.17	2164397.727	29359013.45	5635651.193	9864253.747	2527046.159	1482490.074	5023107.053	1696808.343	2849383.592	6439189.669	2092558.867	2020610.331	2111652.04	2239447.798	2043356.515	2853704.377	2154168.864	2269058.595
Equol	9469937.011	9291586.674	9078287.771	5890811.229	8451244.851	7821400.766	11492294.04	6563590.66	10631510.51	13384049.15	13699923.46	7869475.48	10119464.24	8687518.555	9106930.223	12886599.95	15346539.16	12597018.89	10762622.64	12668158.08	5625887.092	7556674.476	9913668.79	7394624.061	18565187.37	8262470.365	4674390.919	2088691.691	1858064.864	7477766.457	8975903.913	6477888.526	15242681.23	16515158	11254885.76	10562631.34	748193.2429	10737487.63	6581562.384	12835467.28	4707198.974	6446673.959	15158619.68	12787339.16	4358129.396	10544043.26	15791673.98	3485889.854	6898741.212	6473117.623	11421116.48	6917334.584	7023191.321	7975666.215	12459342.74	9363975.144	12166456.54	6174032.865	10999603.04	16149093.5
Ethyl 4-ethoxybenzoate	52050413.94	35764850.08	38274723.64	30563402.89	23759926.97	24506703.21	35765495.36	15675574.7	32774406.2	20477089.41	21809224.7	30734995.03	14355473.38	23531003.69	18793599.97	24712727.65	17791782.16	25041550.16	26716289.19	17283830.8	27642310.19	8028599.228	26761521.67	16004550.63	6078630.954	6478109.392	2183633.933	1844309.741	767497.9307	20969724.66	16427679.5	15017709.12	18331901.47	16622797.62	21928781.71	13581122.94	22187037.28	36927860.54	25301846.48	23127397.18	20583740.21	20350481.95	18937766.48	21082478.03	19966264.1	26797785.48	32930626.11	10289968.79	13166557.84	20363844.99	18244740.76	33401210.55	16028269.06	15640183.59	35922442.42	15830623.13	21837565.83	23882815.76	13014357.02	16633451.75
Ethyl glucuronide	59825193.6	59543646.02	55768395.79	42124910.64	80146274.8	55510300.81	88319742.82	29973333.82	58987088.73	67352538.41	68200578.15	52535304.91	60257953.1	54202937.77	65668937.93	66094282.57	92415963.59	68535147.15	71816367.46	79865729.9	58318305.6	35924399.91	59497121.46	49258141.96	118951245	66618640.52	30708742.31	23145887.03	18052258.39	44774819.47	53392221.22	46348753.36	93230747.79	65554950.35	78362415.98	80087548.63	2642589.648	79381681.9	41618600.92	76839570.49	38548320.43	30853671.36	90114081.45	82952750.81	38834501.02	61489448.52	56755935.22	19854990.37	48573795.43	37889635.21	78170484.7	75757733.6	53632067.03	68777406.39	71206568.72	61280914.39	46376651.29	52033762.08	68319565.85	87402610.42
Ferulic acid 4-O-sulfate	75178111.36	32270388.87	12331451.71	11036481.46	13295358.49	8402580.108	2966223.692	1679943.885	5562692.71	4309469.877	2048847.32	9007632.989	7399610.917	10429226.06	15360622.95	9094476.974	3711521.932	2218286.304	8385831.954	29943997.14	5650666.171	4637569.609	6844744.976	6511052.117	8405178.396	12159618.35	10337899.84	2735152.293	2142125.618	26868763.82	1259726.88	11714207.34	1582521.253	6047954.169	16991150.65	11461345.49	3435999.108	3383289.849	4328953.474	8837516.641	1608932.388	1273215.917	30402319.76	8240050.714	6233686.786	11102022.6	18234470.74	8348010.8	46897726.7	55732430.71	36950022.38	126699507.4	84610198.46	77969344.28	9353591.819	9357196.875	12521286.57	45991862.12	5717795.207	22244539.84
Fumaric acid	9226654	7301131.811	15045172.73	10909828.46	12093854	6974171.977	10124046.96	3770905.284	4684052.985	4958202.133	4095934.789	3366938.939	17018304.27	9938368.96	25218194.55	40803507.82	10672234.26	10558076.7	9045159.25	16081229.11	10289879.14	11525853.14	14496243.86	4320605.466	20753877.55	18013888.79	8113102.895	4532920.079	3264388.901	15009737.6	7287249.295	10075280.58	8802989.812	3694195.307	4162899.21	10481198.48	6423738.194	10981547.83	10789255.8	12608072.23	4803067.756	6166450.728	11164956.84	2697643.292	2354466.648	3900037.658	5678486.286	3084429.095	40352908	35101738.62	12740590	45358921.49	45009757.82	47813407.65	15801612.82	16736443.75	14793118.33	35952895.6	26742961.25	23155906.73
Furcatin	75314350.17	73555247.93	66666585.19	69852160.43	52663907.29	66844820.93	43071236.73	39185843.94	37885217.4	40522960.47	50500052.85	44593235.76	35315333.84	36765226.84	19882335.24	27622386.96	72596009.75	81068426.04	83282735.22	50640796.1	90783783.55	43313086.57	83127707.48	68094015.56	3682711.66	6535166.418	7492209.9	2574749.01	372526.6557	8053687.708	48008397.25	32067160.98	50146541.13	27536378.25	28914088.8	34761104.04	54247522.6	60118355.45	54634028.78	44313934.44	40185828.35	46371366.24	30067690.05	42876209.03	25404758.01	48937996.8	53204339.04	9755793.945	21833413.55	22629832.8	27201658.96	15052698.55	36144394.93	34882231.51	37704711.82	60609623.72	38980635.83	36788974.35	41041328.86	45644300.32
Furfural	16412285.02	40706714.77	27991370.41	38157765.33	52070993.32	41006069.27	38143278.51	21026099.91	30009147.3	41060678.06	17855035.95	26320041.89	57331424.81	108058359.3	49311926.56	59019103.81	31922777.82	12014971.86	12139388.11	89575955.04	23851393.27	13837500.11	13336540.1	65519280.01	35672869.67	26470827.49	34833164.52	12488873.01	11298383.93	43341403.64	14639380.66	33496982.6	4537994.633	9004312.349	10824647.4	26878297.85	48615139.42	14265366.49	21893699.6	38764231.81	20904589.45	24781411.64	40319277.38	57777176.2	39666511.35	37741861.91	36014798.29	29272671.7	38776496.86	44257152.92	49736681.88	40235638.38	54754766.69	36051203.84	11153645.88	7401964.271	31130991.26	20143744.68	14766997.08	44361666.5
Gaboxadol	4145989.461	4989564.012	3408261.39	1284563.256	3756594.938	2797106.284	2916596.276	2910891.6	2272887.024	2498254.006	2673547.076	1757937.821	4725397.023	6081571.468	7764233.798	7937792.899	4216740.838	15372549.81	14167662.42	11546671.8	8422718.506	10869863.2	21135407.4	7175247.75	2942459.071	3314176.755	2352448.998	1357679.608	2244016.89	4534201.145	2210042.96	3498540.015	1837324.37	1443551.032	1542448.176	3593313.798	2948564.494	2972095.312	2668630.12	3251556.182	2095200.917	2839657.634	2810931.248	2289915.511	2148927.268	2438607.743	4041531.186	2360692.722	4255474.934	3514636.676	3946480.615	9078075.692	4884571.005	8116907.818	2901159.436	2144207.297	3977983.676	3779718.744	3012419.016	5568875.402
Galactitol	5543976.561	6015763.216	4048781.298	3696122.672	3591318.797	4175042.968	2499860.874	3499695.27	3411087.553	3068039.728	2656448.179	3252077.403	3945965.877	1729045.094	3948246.079	5691635.171	1152458.827	1773576.034	3232840.584	5038213.459	3690816.938	2808339.43	1568549.385	1563450.619	3268811.669	2716293.13	2319533.564	1124235.043	269552.6166	2395784.75	752912.4445	1665306.047	1321994.697	1362003.889	1209278.259	2105087.932	2018539.183	1217486.608	1129281.18	1334889.869	1117680.375	800895.5259	5548960.844	4662382.04	4618680.77	5229242.778	7237800.312	3511272.948	5299400.814	4385375.745	4336158.624	8455607.272	3748006.489	4362936.744	2868304.418	2297457.127	2624445.201	7132837.218	2568931.023	2282545.597
gamma-Glu-gln	10568716.39	17085321.97	9462060.826	5603967.025	20226892.62	9542902.403	13278968.53	5572026.141	5987677.062	6857106.249	5548598.791	5999273.942	9408388.959	16372059.16	15781412.95	13267616.45	8386674.288	8580817.196	10752492.59	9753095.355	10197227.6	8466108.345	8739341.628	5346595.633	14306514.59	16817508.94	7332473.301	6015610.192	5033026.598	15971147.34	5321911.918	14192577.07	7987780.68	11270942.71	8097021.264	10473464.25	8199234.382	4087127.556	4326443.288	8193192.503	4646723.685	8142863.921	9610962.582	6399446.951	7590579.002	6699331.367	9039390.493	9412741.787	14878718.56	12532370.76	10823181.26	16127648.7	11741022.31	17170347.53	11206494.6	17257901.59	11868410.19	13392810.56	17255499.82	9397786.434
Gibberellin A53	8506188.695	13998130.1	16215071.2	8115642.508	9157775.061	8626915.91	344193.7989	410520.2277	272665.3848	262949.7705	419200.7264	32557129.64	10750640.71	2526037.781	19005635.24	21029267.55	2395759.919	2387505.656	6848741.889	623087.6927	791830.8359	1671468.637	2085678.592	10606375.49	247912309.7	288870234.7	214164411.6	76764245.85	39998064.19	87506703.02	442481.9376	142781.2572	162838.6516	10874748.27	14758903.23	219883.9333	6656058.07	1901336.17	2911279.979	11014056.72	1761903.485	1647066.241	115952425.1	25776627.36	31080093.42	49829104.03	93431660.62	34382205.97	28618537.9	35132323.53	8785200.853	47301621.68	71256357.51	52835902.59	1546268.862	1083339.515	840370.7204	49058937.87	1177936.489	863899.04
Ginkgoic acid	4576289.246	2059471.594	1537065.095	1319787.68	794205.87	1930855.6	661630.4214	786824.8559	150450.7576	172319.5705	931133.1759	1696569.646	157011.688	296650.1139	141729.8557	180022.7055	2268578.605	2977310.809	1806752.966	730825.827	5761368.925	1065688.023	2940565.705	2642316.16	184655.7657	173664.2686	167665.2651	153209.2063	116259.6128	200843.5057	356375.6842	159994.8546	313508.9974	221237.4303	389410.1928	242508.9045	451222.1982	813983.746	469487.6975	657698.1269	904331.7371	288715.58	141039.9664	591834.5033	325453.3707	318071.7962	356881.4396	135449.5858	335138.4998	193061.3038	178097.3259	295995.1315	596724.4747	678053.6638	573454.4491	1256029.358	456982.3207	1161635.695	479280.6395	1058212.972
Gluconic acid	209504494.6	193267110.9	198691518.2	41051045.5	436021353	179658484.9	126918698.3	70785067.61	88262055.14	78837734.69	108490167.2	55293910.44	255351039.9	369987137.9	287626746.3	323809581.5	601830167.1	155490413.6	255231129.7	166658770.1	262853103.1	127749307	160848474.5	202068092.4	28830530.81	24552957.9	39993202.57	15868657.21	7490632.693	29548551.03	75076498.66	97331908.77	111825484.2	23891911.74	26850345.23	75441100.88	76790198.46	170919328.3	140502493.7	131497203	85606053.68	104662968.9	49837344.14	94284759.87	57220444.67	70834241.01	52192126.45	35636528.64	116070349.8	124686277	113561755.4	148715781.3	162749144.9	153589174.7	79164029.3	69056646.36	81995260.58	113413982.8	142741134	183397131.4
Glu-Gly	1011786.708	5734463.046	2524802.969	1410007.204	3220356.069	1692387.71	1952764.35	691142.3306	1151578.482	1002362.599	949112.7307	1004828.901	2050252.676	2493797.781	4007434.019	2656356.902	999052.5651	1085987.314	1325245.661	1960583.935	1173876.053	1428485.974	1128321.242	890815.0021	2217623.504	1682603.695	974003.6027	571964.624	1500747.345	1860455.252	2487169.456	2775233.835	2153300.443	1602596.707	761789.8149	2502773.977	1363599.976	1644099.677	1879757.532	1355557.373	1205011.688	2567069.623	1547642.776	2498414.988	1120429.939	1073881.73	1004999.771	1414014.043	3099382.231	1634680.113	1555992.155	2414374.065	1333286.12	1310104.439	2166959.121	2677911.7	2412614.915	2134437.749	3550977.432	1785014.659
Glutamylmethionine	58210737.49	28859817.08	43262198.27	12750337.49	64336252.74	32980648.97	50996864.05	19427226.19	20055328.07	18893342.29	26285675.94	23780156.54	49945176.76	16216137.46	88254560.07	89344970.03	7964466.335	11660486.54	20123296.7	43971531.46	13563947.65	8229514.338	12982338.21	5739370.516	59224768.91	41439109.86	35194153.11	14573519.82	18268788.91	55443515.26	28789425.17	61519898.03	35342721.64	32339387.62	26129813.07	58558095.48	45220700.96	14088183.34	13604074.52	35148768.32	14229254.49	19872112.83	53082840.21	32548099.96	25140436.86	34543992.29	53386599.4	20393114.05	73363163.98	48444312.28	33830261.74	70046853.43	67533763.68	74236540.1	57783559.16	63379953.14	40360290.24	52715702.21	53503734.02	47855438.65
Glycerol	6867875.409	3371317.864	3353950.809	3001439.448	4387391.513	4343432.282	5014817.773	5064709.082	2816223.683	1364834.974	5049865.725	3018655.347	3477854.64	5630920.749	6091564.432	5588762.054	7670586.279	8711857.198	7899911.627	8950065.749	5132376.136	5056495.338	7447339.414	4380736.106	4866714.987	4343136.412	4975905.223	4284480.05	3893660.252	1254822.787	2341527.646	2784114.476	2479577.753	1276407.808	3036835.115	2417163.073	1839703.585	5529207.508	2640850.471	7326213.427	1506496.741	1000589.115	1622841.062	2179343.101	1362717.812	1879050.309	7276623.119	1226606.837	4249302.944	4168208.982	2269386.499	7113055.593	4643353.832	6958334.201	5159193.855	4400857.287	2905734.507	6469121.79	7490682.967	4392973.381
Glycerol 3-phosphate	19607011.57	75789529.62	32084644.4	20978488.02	24498132.43	22214563.83	27798714.12	12469257.54	35721137.14	29115142.58	19161980.37	15290229.75	39718166.13	32879089.18	52121611.38	53682545.42	45237750.8	28978632.94	35568010.76	46079416.09	36651191.89	39320867.71	40601435.27	16706419.47	10384781.17	7503738.639	11731320.28	9572783.008	8379048.246	16201064.2	47521891.23	56687218.23	50274801.22	17172131.09	16231917.38	40265694.58	13692749.19	20172814.74	38092928.35	27115705.48	21563876.75	27563533.87	20846424.64	21294250.42	14289362.71	21909226.33	13126177.11	13764502.27	44899806.1	30786967.6	27366869.28	37399053.81	48580045.46	36537484.99	34300695.8	57512718.26	37044138.83	40449089.85	125952540.4	32733737.46
Glycerophosphocholine	36543483.41	47092227.81	49105058.51	41679331.96	65555345.93	61566245.74	53678929.84	29288555.27	65928553.13	52389747.18	48851113.53	44734130.49	35067918.56	33293634.49	21960765.55	24607337.92	27926093.88	38777173.87	17288717.65	53461305.69	29891920.1	9481356.782	24020312.54	8147310.098	12455758.23	13786371.46	28180760.1	21986672.93	26828758.63	37012510.91	34530678.37	44639884.8	47945012.8	48621008.09	19366518	44319559.94	87995967.85	71429771.44	39257648.62	72598734.17	34198762.99	33935597.87	93298948.15	81221658.61	47148925.57	79590959.71	90184448.57	23878396.44	42089051.35	29462036.76	55633623.76	34529891.71	32597264.78	53223262.4	32223019.34	26481079.81	20071629.01	15828363.14	32167439.58	18246506.51
Glycocholic acid	432862.1243	588764.0926	593277.7741	644794.5261	521532.701	494140.9464	677952.4388	610542.7466	659588.5741	603585.8751	696534.566	1280220.501	711138.6925	443668.6118	632135.0834	773721.4315	579790.8579	750458.9198	729072.4345	509469.8309	663184.6418	495368.8448	580510.7757	609868.1975	38391036.85	41678700.65	571893.4397	379066.4176	439035.0474	526124.7383	430021.1226	382752.0668	512650.1271	1013589.134	760298.8269	652562.7827	371016.0976	716664.9723	660398.0118	798015.5959	633246.3893	504884.0363	437651.9255	666087.9308	580192.7068	679471.716	569315.2834	292481.5817	694246.1637	461778.1907	505630.3756	589631.4681	579675.9389	600757.3528	888702.2649	913055.8577	830512.2441	1264275.384	786806.1379	806913.4576
Glycyl-L-leucine	6839064.528	8892704.356	6845061.731	2083275.076	16836524.81	5911053.316	4856028.454	3120388.553	6649358.412	6319942.599	3563707.694	4113960.783	9271752.272	7603833.035	14020675.7	24388939.65	5307238.572	6216346.97	13173763.47	12816713	11542444.06	5266186.782	10371878.6	2563039.368	5580671.098	3704858.339	3738025.136	3147795.099	1047309.435	4794411.531	3246600.234	4602555.695	4545605.052	3118040.843	2648836.776	4615366.068	8338322.941	4987823.958	3888191.886	6277932.845	2349589.192	2616047.755	6414965.672	4768082.834	3161317.014	4544795.614	6839709.573	2365926.246	11251191.92	15116332.71	14438626.11	12999390.08	11220286.88	16446043.74	5550470.289	3808563.884	6359390.845	8470272.313	6290373.475	9602248.904
Glycyl-Lysine	46235966.45	54235575.65	18710292.64	10997518.02	28936476.88	37704939.31	19535116.04	20351314.39	18760740.82	14299028.74	22048000.95	9785903.373	13064880.47	33221509.71	9144317.616	12257940.57	68049908.11	77230446.54	45686645.12	36052667.65	82095549.41	48505157.16	71475562	39288747.63	9120709.9	8403930.659	12152673.53	3083414.662	3360305.157	8677181.808	5680751.251	29066129.61	4433873.241	5122401.131	4871545.138	13889310.37	10272246.44	10859201.41	9404563.791	14544787.94	4593179.194	3556845.869	7407304.007	11681784.49	4658164.483	6529810.345	4825538.06	3177810.111	11806768.09	14380959.66	23414305.13	17134884.35	13374488	18018617.52	6854112.638	4610401.361	13807485.57	17934346.37	4885219.523	51253884.22
Glycylproline	1917473.348	4907717.385	1645872.041	613875.423	3505190.59	1692598.773	1875044.346	1099886.896	2077726.796	1571316.039	1086806.586	1942621.441	3373642.482	3213903.071	5159484.139	5088233.912	2859728.331	2780154.283	3352292.05	4453849.694	3152551.372	2492917.314	2910990.184	2567902.28	920942.4388	2308129.192	2398253.465	1014348.026	2344589.668	2582903.934	2842216.136	3030254.341	3112223.863	2580904.348	1300772.237	1949048.513	1166495.045	1187203.169	2004476.4	2313956.766	1334671.366	1220802.145	2580351.933	2380938.388	1239135.989	2176301.715	2974989.902	2117342.024	3150981.982	2121906.014	3904256.566	4189811.94	2562317.803	3983654.572	3221287.874	2105870.174	2490103.667	2249093.491	2477052.537	4195356.649
Glycyl-Threonine	776208.4976	394726.8631	5381997.475	237840.6174	3368633.653	1206424.531	3407119.806	1840193.417	240653.6456	1310342.28	2700337.542	332966.5775	6425734.284	2924871.465	9019500.056	10737435.22	3702259.34	364315.7682	738539.9963	388421.8295	994923.2547	206311.0376	634263.7129	206342.8211	251814.3974	535026.337	1087987.25	291647.2864	890903.4327	316015.5923	981196.7221	3576815.862	242091.9779	273678.6118	164206.4122	1972823.2	2058600.917	1760753.586	1546322.363	3604859.659	171467.5385	1081505.773	233533.8539	277322.2107	191801.7856	185051.2812	440908.7889	173362.3886	716546.4251	579327.6138	331596.5371	1528384.208	337255.442	488390.362	762880.3958	627446.0144	3131471.028	1475198.71	2004629.789	8965944.261
Guaifenesin	17365067.32	7706572.274	5772732.119	1659420.782	1934368.15	5267525.452	4853489.186	4362951.935	670155.226	522100.9052	4904023.426	801414.9086	844349.6404	1985040.504	1067814.368	1152409.816	4650353.644	3647674.061	1793351.743	951589.9635	7351269.486	2972338.674	4665474.919	2421276.364	655636.3382	452785.9275	677929.1967	156691.2919	449998.7002	331809.0183	1004273.261	476487.5029	1523077.668	1034839.237	1149036.214	1041024.611	502370.2698	1388102.097	1103620.109	759194.0774	794322.4722	535555.3025	328132.8454	689935.149	284820.8526	552435.0088	407087.6424	186132.4563	591595.5697	547576.0389	876511.2702	844658.1799	913796.5386	1085223.996	945256.6247	1056470.429	459967.3367	794040.445	671113.1597	1662243.173
Guanine	398726.2851	395312.0782	395281.6181	386886.0339	375373.4213	489930.6108	394945.9643	391752.9665	411014.7931	386100.4065	423378.6401	377761.8973	370053.6201	386162.2953	578845.9633	532477.9526	392150.099	477097.3713	1311876.533	573706.9116	391183.1929	601083.4311	474470.0183	377994.6155	410049.1719	615349.4306	4823582.131	2783952.082	582723.1929	9386384.086	1548018.073	357522.9063	2456638.855	9821097.105	12637705.87	462149.3642	1426231.788	2120547.824	1212202.34	1141820.382	3217990.055	703518.7126	24029540.06	11702267.87	22631267.8	28878226.1	42273426.28	6158690.493	3721097.924	2018953.452	446016.5822	382304.1358	5642710.462	6323483.713	3371012.634	7325378.824	418440.0819	1375514.724	9781305.768	1533135.245
Heptanoylcarnitine	979953.7137	1157490.605	395818.3594	1312097.68	3464596.607	845215.022	1384237.506	389104.4723	576354.2548	593111.5285	233332.5498	197670.8066	456367.2551	453211.4021	1064930.357	680631.4194	902444.8373	1031844.573	519550.9051	1874089.37	606487.4266	406996.7981	553025.546	327517.5057	331915.4509	412933.172	773207.674	191207.6969	410468.733	729331.65	297900.7249	1130180.552	938718.807	650777.7665	845088.847	214995.7674	240236.1008	353703.7222	310603.2896	307171.226	189728.2417	161144.812	223664.0134	229081.3808	182990.7884	221145.3102	210282.6861	144077.5657	19955192.15	11184026.29	1697082.545	8990812.735	26930914.54	22962130.79	1911671.181	3083545.234	1151507.846	1075649.915	4879650.113	621820.5841
Hexadecanedioic acid	455707753.9	59687419.55	110266167.9	25102311.21	3609938.347	71214097.03	47199950.46	30467795.18	3642908.673	3695824.918	41281602.93	76862604.74	3249906.441	12744154.38	8186117.342	9418531.129	47649385.1	74584868.41	28138511.59	9998685.364	170625095.3	13764365.41	54413654.27	123702948.7	4013839.864	4227284.031	2439044.678	1809248.59	2966374.838	3327002.057	3447808.47	2134602.134	4559849.282	8030479.029	24976558.61	5270405.562	1971004.857	2768157.25	2770978.305	1960826.755	2638260.772	1868566.647	3296744.731	2499011.373	1652955.641	2471522.896	2817988.177	1618030.518	5387066.962	6839522.037	3599407.892	5229087.674	9750516.029	10192084.71	5004887.287	5805652.56	4463637.847	10812391.81	7363110.303	11929891.47
Hexadecanedioic acid mono-L-carnitine ester	8819297.905	1849932.354	1923084.691	728255.7554	400116.9765	1876392.028	1574054.928	2560678.552	357163.1676	184323.6214	2180873.243	434398.797	247032.7188	258404.2774	1002159.291	1088059.81	2558277.371	8762433.623	1224881.725	224588.8142	1812317.874	603804.3276	1271129.848	6673000.739	339455.2302	612010.7721	175844.948	168801.0362	173759.8196	213437.7529	432801.0201	208014.2915	234219.9953	790861.614	1180422.887	222504.0436	252353.6012	568903.5914	208643.0113	221748.4304	164841.391	155049.3538	202193.7948	246838.4138	163409.1614	229044.1292	335750.4164	130456.9445	197538.2924	382963.5292	612333.555	391231.4702	293238.1831	670824.4318	777173.93	649811.1641	262456.4	545964.8049	408658.6122	452332.0874
Hexahomomethionine	8638830.453	4704408.625	1365287.008	785019.7642	911763.3975	2460569.555	556953.4646	3230026.586	349034.9996	284408.3348	3529772.862	101087.5909	584071.3767	2117889.9	251777.9676	305548.3645	3897835.393	1791185.968	2575005.704	313686.568	3477621.933	3208944.446	4885190.232	1447465.065	175380.6649	149845.4452	119145.9664	127475.6041	212060.9446	123396.8358	200997.9004	106066.77	482126.5253	373366.6383	430046.5134	138062.4636	146830.5778	1424542.069	259766.9939	171676.0386	473788.5566	420126.9822	135898.6432	309922.6229	109563.476	132611.0464	147090.2576	92949.63504	97808.28787	212914.7804	705744.5314	339935.0626	373436.6476	514478.6579	254085.0697	299053.8134	109609.2085	408954.5593	337476.6548	604045.9902
Hexanamide	23001420.14	44178814.16	24947398.3	5717354.858	19814111.86	13163881.08	4646081.276	4438799.688	4970291.344	5968211.258	4936960.742	4193711.973	53430329.85	42327504.39	44174987.04	54700605.02	18537192.9	24345384.53	84472238.07	9770396.515	4652227.674	33276413.31	40567793.61	54670305.94	4980222.438	5293588.045	7606606.725	3223022.765	4990397.149	6834102.745	1454645.512	3968905.921	1807561.95	2724245.607	3352173.179	1892794.988	5120188.274	17481098.24	12770944.19	15140085.08	5791991.747	8044655.523	19778616.58	9171306.509	7445065.458	11866315.95	16423205.2	5736767.295	20534396.27	11521856.86	4175616.078	17064173.63	14384784.23	12963274.72	1960961.985	1938681.283	3093199.268	10966563.44	1950947.416	4872668.472
Hexanoylcarnitine	30256368.63	36927873.99	15746992.41	15277425.18	31970866.89	28282475.06	43360990.5	12543254.51	17594399.54	14386197.39	16854744.06	12491448.92	11539187.24	9956320.999	10055895.43	8438666.39	14519562.26	22970577.64	24123725.78	19323167.76	18040117.39	11916209.37	17162643.9	8813994.896	9920977.972	10884697.2	38096777.68	11515259.91	15632975.22	28884210.23	23938612.61	33429663.77	24319617.63	28227203.75	52654855.62	8613842.098	8782346.353	16080220.07	20029171.77	10165429.29	12959652.44	10544116.67	1599545.067	8187534.565	3919224.995	5188361.657	7457631.394	3519455.23	79289851.2	136040335.8	20849769.01	134194166.3	309816303.3	245055697	28013275.52	26049944.11	18950502.87	22642958.17	45604603.22	12351353.18
Hexanoylglycine	198024764.2	92896323.27	198124910	53368968.48	216531520.4	134085078.2	370884748	288024132.7	174811440.8	159072228.9	354817708.8	61195793.04	304754842.2	291461677.6	446306108.4	461900150.2	374173084.1	171619052.6	85683305.32	76366218.25	178858742.1	76572860.09	136434673	55286241.45	10720281.99	8611723.64	19268172.14	8088667.728	7902667.621	19493161.12	256265672	160500418.3	296588929.4	61480417.88	107739878.5	143360671.5	105163929.2	163283287.8	208786511.8	103809269.1	194091876.4	90721656.96	16439171.26	43005473.03	12097834.75	16528882.27	19730075.85	7170924.795	106978324.7	126261069.3	48041973.86	205920209.2	229113103	160077578.8	154146548.3	159756892.7	120520572.1	195269332.7	313278567.5	216552580.4
Hippuric acid	387393652.8	159040030.3	221291577.1	221736392.4	389707115.9	219016340.4	112266208.3	63778359.49	121261805.3	104214320.2	76781974.81	316891358.1	173739869.6	145849385.1	126489113.1	144839609.3	24509451.01	21302130.39	143442173.6	134402561.9	27753143.32	74804717.25	93866393.39	45585004.21	111377845.5	99493306.84	79397744.99	34606879.72	58278005.18	194072253.7	18512284.18	53697461.28	28255394.39	104729550.1	121913468.8	102453743.9	112748650.8	131837945.8	81189849.24	99741011.98	45848233.52	42061297.66	91822835.68	54859694.47	123418123.7	198482828.2	199725146	58946839.36	486382262	542391044.4	552714255.7	1029927168	403625574.8	633523420	57203911.48	41326240.1	82114100.9	248982775	59953059.22	162419777.7
Homocitrulline	2574965.243	5778127.848	1825705.273	896959.4866	4054730.469	2530192.296	2293501.398	1274051.948	2935819.722	2551672.245	2901813.509	1714285.436	3248104.392	6906101.952	2954837.91	3406181.566	4181545.032	4243944.658	3066406.581	3771118.56	5262180.818	4485891.678	4400698.743	2454966.868	1582503.307	2998305.041	2360654.614	482426.14	2443294.966	3820377.012	3636864.851	2984102.585	2244268.402	1933716.235	1474188.634	1781811.76	1224740.59	3138213.439	2940189.12	2432205.997	3367973.925	2376765.493	3135582.778	2208658.937	1129373.065	2381135.178	3045691.839	2837563.678	2542594.94	2253134.105	3177621.855	4392074.825	2194833.598	3443076.243	3268723.672	2273717	3279913.398	2329422.541	2225168.138	4272356.659
Homovanillic acid	3035867.561	9205038.706	10214317.29	3169294.728	16446312.97	7234142.723	688726.396	499825.9157	2161617.648	1573584.327	784951.3739	2588238.641	7373754.96	7919207.92	5282398.532	7082171.863	1335126.392	763104.1701	2536869.322	6208760.151	1412323.496	800709.9361	1410881.168	2234931.635	3032447.642	1897729.222	1102268.72	1153815.222	721297.6801	2672243.516	924643.5932	2207371.249	1211324.062	1252149.875	1289973.344	1325919.043	6535597.784	3201608.276	2843543.931	6199009.748	2051560.298	2910158.012	7553926.883	7791056.129	3916128.67	4718471.55	8566406.781	3440754.043	9508110.787	12491825.02	14941157.59	23498912.13	11463327.63	15012702.15	1111801.145	939320.9399	1721115.394	3705355.916	1279180.83	5120076.787
Hydroxyacetylaminofluorene	4115505.199	8698492.471	2212653.969	2314539.809	1674936.77	2869426.926	7039459.87	2310159.203	4591789.457	3670207.79	3002249.84	1686164.206	1425343.529	2084560.95	1207906.937	1602588.227	2848842.554	2517543.875	4569736.724	4125319.331	3562571.528	1434839.889	2751123.7	972893.193	2931744.985	2496819.932	4062718.518	1362303.399	1116795.771	5605812.659	7322672.548	7072053.607	8565046.983	3495014.223	1504174.777	6972221.568	5044320.327	4119523.737	4466201.792	4431507.136	2128807.953	2548215.137	4422901.971	3186112.692	1809259.784	2884149.244	2933926.14	513038.4658	5589183.523	2810887.236	1753103.091	3511125.122	4745531.694	4578285.682	6530273.33	7851400.427	4237022.782	3088083.709	6558262.178	6358498.714
Hypoxanthine	1746117.832	1640074.949	11279740.21	1744905.332	1757584.346	2400902.598	3138659.844	2014333.33	2419889.828	1335430.563	2606205.586	1642350.873	4380863.454	2857764.459	54351355.85	7293301.198	42598753.39	1012545.617	94424725.55	53587463.98	1393523.738	16338962.08	10101356.7	2658074.916	12594387.25	10344766.46	112439465.7	72846989.45	11027348.78	208453890.6	47823496.89	21694266.93	96082023.74	100594618.6	119712248.5	2800293.706	55194147.25	254710412.1	82684645.73	186907839.6	170537060.3	63404807.05	437441018.5	254495483.1	449900977.2	528891957.2	694651613.8	151412076.8	302391892.3	58908055.49	2556252.764	8668296.753	103696659.4	136179868.6	277027737.4	563977821.4	89436294.65	34153336.49	489197926.1	59752607.35
Imidazoleacetic acid	8983166.917	19818602.64	15355216.73	10250771.89	22871807.28	16928687.03	14419890.08	9503022.441	16581952.16	13149767.36	17687128.9	10959147.87	26282646.53	10636058.7	19685709.45	23234843.58	17005041.99	27464883.22	29383570.56	22838276.46	30088003.05	14566771.96	28349132.85	11845117.51	17509552.69	14913059.07	5080977.973	2732792.945	1763920.626	7402039.28	11199101.15	10091116.38	10540631.95	6650499.33	10504858.43	10065885.98	17446597.47	24883169.79	16015549.56	20774001.8	13920414.34	15880411.05	21590378.85	23476504.1	11450134.58	18266419.67	22780874.7	2852622.98	21691771.5	16155208.02	16794756.94	25825466.03	22740039.32	27078306.59	16690228.18	20927644.66	18475563.93	17237887.43	15502853.07	30085799.1
Indole	53491008.77	78861241.82	72558980.23	65625845.15	74611329.86	58284415.81	62738486.28	34965108.64	69131779.55	61603353.31	47015521.5	82553773.03	39031659.17	26533348.23	67863327.38	76779217.69	36231012.57	39919977.21	68893565.22	76647880.91	50145348.74	33170506.34	53869871.22	27939736.47	152256983	142644361.9	56054870.4	34184500.23	34274120.09	81725136.49	52047523.98	88181604.94	59824779.62	103389218.2	65106002.47	58804831.06	80060326.13	58545950.52	50947014.01	60630788.46	39093065.72	28062458.01	207336067.8	97493399.76	90666891.47	119411318	158856406.9	64747580.39	112527378.9	86429552.48	74057933.69	136841878.9	136518574.5	138384762.1	72728229.77	76270779.76	40068999.54	72292205.46	58373293.48	94759262.77
Indole-3-acetic acid	3932516.068	3243575.35	2521533.063	3178210.349	1108188.929	3491355.989	3786672.517	1563164.297	3613523.919	3006327.296	1385974.549	5153156.734	1473721.504	1279578.535	5037316.425	5165529.143	1043491.302	1623165.249	5398671.879	4629733.302	2009955.581	1822203.918	3188246.168	2375202.711	4581909.335	2777952.747	1003545.359	788393.2066	391371.5882	4070126.379	734332.0455	1644614.404	1945811.676	3254328.349	2374731.345	1152117.39	1229912.342	891034.6203	708676.0993	1123313.431	734515.3401	433537.2156	5810397.41	3471778.654	3232957.177	4735619.302	3719285.187	2344993.384	5242277.156	4374851.258	3222340.036	5588001.517	5758574.986	6769263.335	1286625.494	1676977.261	1479198.331	5403097.738	1191656.818	2616402.836
Indole-3-acrylic acid	3017583766	4056887798	4058798072	3600446402	4173130687	3207452936	3208526270	2018241448	3718239721	3121521322	2405497570	4479746301	2239625172	1691938593	3926734846	4216084974	2158782052	2274948349	3723651649	4452203687	2772448974	2000183994	2992445850	1732413536	8270864741	8377250653	3800724248	2438663430	3023597462	4295857292	2786004342	4598895947	3291370331	5491847960	3631356929	3452380990	4300006412	3019766526	2650590507	3414960111	1920000422	1599078521	10882901111	5453107164	4527635354	6261972569	8866015475	3811693385	6306715037	5082917708	4463482633	7060867738	7325669342	7520182483	3894181191	4208373488	2295890960	4480190350	3440386296	5170473957
Indolelactic acid	149133626.2	190991321.6	107893705.2	88406611.12	121019707.7	119438168.4	63626827.02	53335392.48	79358943.01	64462029.18	68854862.04	66647446.5	138790132.2	104458480.8	131280906.9	137525399.9	115944026.6	134865584.4	161346195.1	161970707.5	181206874.5	104899317.5	163278628.9	131238967.3	105359200.1	88773971.7	67350203.36	13711753.29	15331473.11	114128459.6	25411131.21	55131253.79	35855671.05	37986887.31	33373567.49	40244583.74	81285562.78	60278215.21	46539213.55	116317254.1	37549489.56	32451913.21	109911525.9	142742581.5	59606177.62	89557183.53	88916606.14	40735192.41	250226316.6	273807879.3	170074791.4	560062180.9	261634035.1	344080284.6	35871872.79	54537950.54	34505099.55	139599364.4	62060269	127543193.3
Inosinic acid	619549.4655	544827.2812	536383.9281	430743.1206	537864.7801	550057.1587	594025.7188	402533.0545	514093.3758	403700.5526	491251.7838	371052.716	617336.982	438032.7406	611269.1545	580571.0646	673836.9401	528734.3343	476438.4694	707668.73	458698.9295	479018.9667	482864.4925	411299.5746	463623.7757	513252.3423	485578.4758	513902.2999	430251.8162	419070.5945	435848.5475	537923.0364	579994.0527	373616.3522	435381.9321	453294.9181	26864738.01	91011656.5	97572822.35	42125224.99	11433795	48511154.41	552762.3324	1840351.956	386432.3401	640347.7091	451814.3772	7626397.843	1167063.677	690042.4865	500362.9446	749736.7585	762638.9393	722645.6387	542816.5548	644814.7697	484075.7895	712430.4494	628799.4908	682151.6856
Inulicin	1745575.751	1541416.737	529566.5783	1221815.629	134938.2975	2035100.747	116841.0172	103472.4477	134960.6714	99379.57046	121262.0311	3238964.267	100951.5287	99959.41926	107609.5255	104190.5993	228319.2488	913488.312	2264096.058	2033756.38	1903865.736	913943.8586	1812490.56	2798815.884	5571746.054	5569510.063	3929443.03	2539227.035	4283775.484	6297038.77	86211.37172	88773.23792	100776.9298	3397478.044	2196610.494	112389.1814	104105.7119	117775.4997	98888.90488	120461.8796	90744.64563	80554.08853	2198993.866	1325068.422	702557.0034	1820213.693	1940583.999	852120.5665	2198046.671	1927333.04	2052410.167	4296104.028	2758588.57	2244887.471	115572.3635	134000.1318	105900.3864	1593539.828	115461.2789	123105.9752
Isobutyrylglycine	77994789.34	54724195.07	171519048.8	49598707.37	123516111.2	63194376.56	189993456.5	35020103.08	110718370.8	78504411.13	47285903.61	20009292.76	276997505.1	108170410.8	202280816.8	208468874.3	87276973.01	92439477.19	53740650.37	63894254.68	51117614.19	37618758.38	52546429.47	54891516.83	25280926.66	3567748.966	53173123.33	44383651.97	45528813.26	26730785.52	35371320.43	182528832.5	112788391.4	27429149.3	59831289.73	54410333.88	20972883.51	29520185.48	23745133.9	18628472.04	16071709.92	9721330.754	15842712.89	23120393.53	6774308.409	10560781.33	10499271.96	2120913.571	105450893.3	223027082.7	75852810.22	465942269.8	346019607.4	210368415.9	70827139.56	34393454.54	116734713.3	194259568.2	160619151.8	87318563.48
Isotetrandrine	14696812.19	20374904.86	22527636.07	17607407.6	16400698.99	15090961.09	29799824.17	24716913.94	24189091.93	27784396.27	19976912.05	22406573.74	22394705.44	19631450.59	18026560.23	25452399.57	18476478.05	22997210.4	25501236.83	35387618.79	27268565.52	24568276.02	23788268.99	14361503.78	4535447.918	4261541.053	9574388.837	4204584.363	4363799.977	16803710.29	16167170.09	25820908.68	21765059.23	16689895.96	9350609.353	12588303.63	15671417.65	15910877.53	11654574.93	22005550.75	12337580.38	13865676.54	28416191.64	24379178.74	18189640.32	22267770	18416762.83	11906657.69	25327975.59	17841301.45	14901538.99	18091979.86	28781026.95	24210883.05	28071681.91	33837515.03	23783170.81	20539961.4	29008737.31	17037897.94
Isovalerylglycine	26544545.16	19548299.32	54455123.16	22383609.22	45194058.23	28226484.37	56285839.4	20408346.42	47292460.07	42792911.22	25020172.59	19890369.18	96403872.04	33210301.24	115575734.9	116178870.7	31667852.95	32498899.82	27616010.16	37424318.48	27485959.31	15366895.07	26159964.79	25094265.69	8917734.667	4808668.875	8576989.384	6380149.091	13336415.21	18522654.18	22984523.73	74773210.86	83374006.84	15984365.32	25452323.43	75365241.08	14796722.89	22216684.02	19686713.89	16539851.43	16209964.33	7951858.614	7723957.895	8874967.323	5333062.913	9818724.224	10353208.72	3734550.352	68011480.18	64356281.16	20194108.36	95954596.22	112585059	76826666.43	56657336.72	39969159.67	66700381.47	107369548.8	84146365.68	80565968.47
Juliflorine	2753996.716	707778.2266	2084999.951	2815112.038	1972782.816	1065179.015	2585815.23	3260913.408	2185125.369	1027829.011	1555760.33	2078305.442	2608299.048	1590135.114	2044006.73	2068111.13	2678980.221	2019087.208	2055938.344	1190014.347	1979422.099	1938939.599	1206944.174	1368283.939	869599.9161	1892258.811	1087514.789	1024827.379	610246.13	759234.365	2393968.727	2277289.565	2288060.495	1945139.645	867378.7904	1787887.649	3827564.197	3471020.218	2673707.595	3496934.635	4191266.181	3954934.74	2218057.294	3339400.377	3829917.906	2052529.883	3099962.93	1937235.242	2483302.75	1186854.313	3605761.599	1325579	1030272.166	2204320.3	1905642.24	1892576.503	1684006.76	2032358.315	1105316.84	1886854.606
Kynurenine	149298296.6	101615990	78820450.01	64329622.94	43913421.9	65440549.75	58283145.32	29022070.63	43042748.13	36078845.91	42761941.88	55784057.92	37065257.78	21129694.34	58831085.2	59128451.03	38504272.64	42942286.55	100877368.8	95155524.66	44757933.03	49663235.27	67239288.93	44433651.45	84337461.1	69553663.23	40563361.6	17318252.14	25946044.4	54907850.39	20074770.78	19580011.86	23598850.04	64418414.54	68716923.03	25556127.37	36718954.78	27312035.32	27501203.43	63884015.5	19149636.47	21775046.22	93914978.17	54666259.97	46373771.84	67948348.6	85104620.9	50786711.99	79864115.06	68952403.52	60385377.62	115202583.6	95838460.52	83437139.36	22792493.05	24905943.32	13671439.37	79856560.2	23325525.68	55257900.38
L-Alanine	24838219.75	48816615.57	86388188.1	109042693	66055187.12	60934345.93	69201902.15	24611294.28	77290003.2	71586759.13	35212455.65	62881158.27	109045464.4	56165299.22	158830709.2	83561447.29	46739400.75	21633460.44	60793054.28	135325706.4	33584601.89	32390178.81	56466108.16	37009230.97	167577338.7	154304941.1	23058062	30090247.26	8042616.941	50500759.44	24440729.69	46618672.75	37765260.58	16005322.51	23171769.78	42485865.43	20846126.33	32634594.63	27446988.35	25461567.21	17727292.67	17149243.71	77269605.48	22731241.15	35423969.18	77870758.59	79698298.56	31842469.32	173547593.8	133952007.7	34597968.65	143253389.5	171549343.4	153020170.4	56593354.31	46455101.49	57919525.25	93546659.84	107135976.9	84795808.08
L-Asparagine	8003861.909	5618385.184	13751349.41	9133308.35	26776574.95	14816854.02	18769604.9	6412559.916	12178911.68	6880515.01	9699033.327	5772399.223	19073451.04	12256588.21	48108452.45	42898118.77	22983994.95	29024614.55	18478978.81	26985314.54	15904415.81	13171979.33	13370201.76	8823143.632	19050299.28	14327400.15	4443327.511	14272225.2	5200763.74	6012973.572	6079448.658	12144406.3	12648607.91	4619866.33	5240571.711	9538692.391	7430820.442	33375198.87	9726680.395	10184358.77	8006320.596	4301169.227	14370470.26	6536238.123	5213882.326	6271836.75	6911110.411	5675601.398	36390250.99	21898673.13	20602086.79	46698895.62	32183002.04	26860754.34	10417354.2	13820690.95	15352819.94	55741179.15	19458930.99	20179596.42
Lauroyl diethanolamide	5077765.059	6187083.452	2064301.834	1460593.101	369334.7057	3735591.415	2257509.245	1950403.948	466340.8482	511328.1135	2066858.001	1190033.797	364335.4396	607060.3629	351512.1152	464945.4986	1410349.227	1964290.342	1377478.947	994126.759	5507842.263	1072593.308	2727602.281	3047027.891	556622.3208	278768.7153	153490.0908	177612.8433	205600.3053	232083.241	358617.0867	133619.9132	395171.9676	970177.4708	979696.1757	349684.3654	177101.5156	175786.4836	131358.0146	176141.5681	285869.5771	113527.1149	170477.4534	373184.6746	135491.2268	162054.9909	155966.9206	113921.4592	389368.4391	711740.1551	450664.0594	1030348.211	805183.432	788847.1353	400129.2294	174458.1344	506053.4358	855464.9123	160983.0215	731699.0796
Leucyl-Glutamate	170112935.3	96583110.42	181362921.2	44186971.21	216420532	106456868.5	101810398.4	58668912.86	56676844.05	46082673.42	74821581.36	62582978.83	128752198.4	32750784.79	249010703.2	265465877.2	59058950.54	53398135.11	117608322.5	110842058.3	77043628.2	54895682.81	80590511.3	26682095.36	118904322.9	108844561.8	75263012	36796429.7	43625194.38	100236909.7	74392398.53	127109430.1	136873647.3	78026997.85	63430960.56	155403536.2	170066719.2	82039901.66	86293481.4	138766147.9	58170029.77	84429647.1	147964878.5	121509999.5	58584009.25	95034188.07	135654054.9	48805622.44	136325655.9	101889118.2	75654501.64	144763356.4	168591047.8	152159987.1	152677827.4	150134210.6	101387453.3	114569720.9	152795810.8	217864040.6
Leucylproline	39760393.03	86318377.71	57106284.1	22265481.1	80996190.24	47897827.08	18719778.64	13027966.94	31034290.86	16494046.79	23897439.1	8343352.813	95111620.16	104452667.4	71486726.19	64031180.01	65332845.88	37052737.34	66007606.17	79111471.19	52221178.73	53409830.61	53085169.97	34005014.17	19806246.98	11745861.18	24598578.3	6687016.189	4868329.283	14617205.46	34998448.51	30321580.21	40207396.97	13579796.31	10480212.58	26281743.55	80170264.54	87905672	103236957	46272220.36	27049113.82	52909660.17	50755141.28	68216608.94	31213255.57	43297804.05	21913206.55	20694655.31	60370438.34	68800988.05	53585807.59	90241256.24	83342005.55	95752790.28	43442878.7	42579519.31	27402338.79	41302141.44	46414833.65	74687386.43
Leukotriene B4	32714381.89	6030065.925	6861112.633	3102047.435	825480.4852	5645423.346	1659202.521	3293267.248	486118.3734	201715.7611	4131428.113	7201922.692	417228.2482	308654.8421	173236.8035	337772.9731	1483587.343	2120182.078	755253.075	499211.2674	3320751.15	452844.8663	1747699.664	3536588.24	3226946.219	3532896.397	389216.1909	133187.4273	213134.3478	275175.7689	426930.7389	139852.8671	520666.6362	544124.4151	633288.1401	616619.788	314363.3697	431726.2226	353496.9576	463889.764	250419.1609	217676.474	920802.9677	582305.8207	256815.4716	524371.3296	558144.6875	116792.1863	860160.0307	633884.6844	547480.6205	847409.8901	1335069.853	1270766.263	154125.562	387321.208	750151.674	3381280.326	433753.9652	1207463.373
Levocarnitine	143346490.3	291840254	439515208	161050557.8	568584890.7	311221704.8	297769425.4	92006604.75	729936421.6	633703511.4	160806686	598074643.4	61557956.39	285107015.6	377380665.8	42901660.57	30401130.63	285267148.2	321401298.4	539955098.3	236009265.5	83946814.51	330441693	21374672.31	334763530.1	290943377.8	203554370.5	93310097.53	163111543.9	339330507.1	300088267.8	371070467.8	333889625.3	247523662.2	104478076.6	549477943	921524660.5	422253252.9	442035466.7	659779792.8	118190182.1	249566115.9	12482312.38	596220742.5	236289666.3	360832974.3	49588596.94	95192169.83	436577939.3	349095405.7	520248279.6	351236454.4	475726002.9	544652573.6	392085099.4	349502213.9	225462907.3	972173.838	400959462.9	336967016.8
Lexibulin	1276908.155	862643.2435	1070556.196	1074166.811	2193665.525	1536426.3	3252949.242	823290.6449	1824555.972	1118479.448	1329945.497	1865108.198	1419858.029	1267119.646	910971.754	829005.4897	997096.5629	1438110.995	1673179.028	1539772.098	630502.6338	1066727.219	1126012.166	1411242.914	3848708.785	1095920.439	384787.1246	235049.155	462801.4627	1353652.523	1279519.511	925125.9847	1446402.402	1832966.099	2166408.005	886254.1787	122634.5404	1754243.587	697290.723	1463919.868	703534.7771	804192.2514	2256727.503	2053510.704	480330.7419	1527602.485	1030460.099	589593.0909	1392230.072	707864.8721	1194584.884	1795873.863	755322.0557	1932241.765	2090191.304	1966045.054	508659.9353	1055657.605	1536602.095	1915156.403
L-Histidine	127961306.6	174541090	157575249.3	100846822	150677948.7	115748990.5	153030686.9	85274349.15	171515909.6	164772680.8	94152435.16	111651713.1	203069938.5	169257954.3	195185368.2	228579092.8	156057298.8	129418431.3	138731879.3	141823967.4	152850417.2	96313204.34	114117778.1	149346149.1	207583683.1	171225791.3	90509979.88	63880917.66	69877065.56	105280318.9	72848183.16	104070908.6	77357965.73	81435053.52	70101695.79	102702276.3	107815982.8	78813110.25	73972591.16	78112377.27	76453650.72	67188772.54	103026867.2	112645929.6	95337230.11	111811651.2	129665262	66540351.61	204775353.3	126527267.2	144527360.5	151013589.3	151075341.7	182344582.3	88298520.96	95162576.7	96091174.31	123121670.8	116793355.6	97623769.02
Linolenelaidic acid	5906478.547	1042948.357	1018783.115	1012165.616	1984608.441	1637181.011	1924651.293	1090836.645	1291852.157	1265489.262	1827737.098	1743721.528	712802.6536	1245089.598	1009244.902	2557439.074	2458945.845	1811589.138	1252884.63	1582213.104	1950832.267	725928.0945	1701461.358	1747732.965	3599728.27	3195308.583	789794.3201	738000.9338	381312.1921	2280616.961	1173865.883	1432650.819	2144624.954	1556889.943	2496252.343	1511494.971	1453951.816	1273192.087	945377.7806	2153554.258	1650749.16	1157192.363	1299530.816	2386198.998	1469655.257	844352.1091	1377790.424	1194358.076	1331112.421	1230994.953	1313882.362	1689288.776	1050164.783	1930487.423	1740871.114	1670433.549	2093373.466	1711803.332	1175132.675	2087191.458
Linoleyl carnitine	202086329.7	115282745.1	101393661.3	80875678.5	83112472.74	148020534.3	503453758.7	209996864.8	128091949.6	111852583.7	235405219.8	45618609.67	44583071.86	93677730.58	40468924.56	43490528.39	216588900.3	199668216.9	145834524.7	50959819.88	132269121.6	81749980.42	112671508.9	106255539.8	2812060.589	2864517.138	4271786.966	1543248.446	7256062.953	4891012.419	43484965.97	13461697.54	59528655.2	33586919.02	65076783.74	16590388.24	12182735.98	77005875.48	47256840.34	26303436.1	41716391.01	32086971.3	3805258.657	14959838.17	6234426.795	9856252.015	10835950.21	3017957.861	19023799.56	23905978.38	37644988.73	26212108.43	49535282.73	45112781.08	73540210.15	65085178.86	44192297.44	28141413.38	42867175.88	39956026.34
L-Isoleucine	435813210.1	9572954422	15550248861	8236217330	8840368193	12979551934	10573266040	11073113595	14492623088	12026090772	13987496491	1022504571	8030099615	5765794390	1605785242	12077466250	6877603937	8601180449	7515552604	9474069688	8775704076	4065673148	6677103525	6839793146	11556693968	12118758775	8112108980	3552561989	592632222.3	7063077026	5518936430	9071340443	6512711604	7085516107	5902501461	7827894594	5838799396	4052983270	4610275624	6155410124	3189959618	2979543865	10103210159	415990620.4	4395668636	7294724708	702893658.1	3368377586	10647141628	214116117.1	6548900975	8465504157	94011033.84	10081423467	7593532180	225013136.7	5947157971	7997723917	6954610199	137532471.6
L-Lactic acid	1555402888	1668047638	1571931795	1382459641	2836063551	1602542053	2723323572	758537825.7	1668762991	1168140721	1064328243	1027570809	2469345941	1366229195	1875781488	1840009016	1170851353	892237889	1861530368	3857025608	2151611583	909609367.3	1038899660	1658694023	687939365.6	507208286.6	777459201.9	244418713	263842290.1	2117239820	1510640863	2032358207	1847476562	571336076	826625915.1	2231783181	2199695672	1045171210	1859765289	792218574.3	671866126.4	960474197.9	1631765148	761332418.3	719596964.9	1281913712	1320871456	1131400813	3215244238	2163860471	1501863524	2967552407	2947464961	4295085846	2881757890	2937188013	1455527832	2046897593	2896152766	3534517333
L-Leucine	3257316.839	964197.6485	4368560.59	1058284.581	4894481.419	3308014.021	3526657.296	2903475.451	2190121.702	1979770.411	3244207.134	833761.845	2641643.282	1057903.01	5813950.738	6521472.878	1465254.664	1250800.48	1182953.24	1390521.358	776921.9409	1035206.988	1352818.821	804462.0704	1384435.781	968646.0954	532125.3734	516934.2588	255374.1284	691453.832	703819.2999	2434278.896	1124895.801	670206.9917	382147.2505	2145657.081	1298847.14	855426.4295	684071.2859	1858739.919	601473.5066	470383.2285	2598196.645	974148.6808	604224.4424	758350.963	1124912.453	600791.5848	5797264.036	2921235.346	1599545.444	4978488.582	3698212.109	5077884.235	1101859.676	1753668.422	1492307.997	2614254.443	2093235.135	4940432.279
L-Methionine	896284580.9	798280854.3	1167807172	672128816.6	1094419509	834590662	1453100402	1010497102	1462387594	1033686786	1119389264	932888178.6	1034925871	820018124.3	1486559095	1549927220	367958404.1	410010559.7	599499657.6	1339491526	483675870.1	270471684.7	437801459.5	522137205.5	929363828.1	874252334	736166229.9	462568778.3	298694573.5	731681115.5	788530584.3	1138235878	766107139.6	435609204.5	380466652.9	976236445.1	718610484.5	712220463	697779999.9	873397065.4	431452896.6	566288637.4	1201968405	607024121.3	636123699.2	939773799.3	1000626358	538941681.6	1152069044	832337125.4	707782764.2	1176321337	1195891808	1492105875	943602831	1025561166	813808804.1	1077910865	934302503	821797249.4
L-Norleucine	16600788598	9361909560	15209339296	8055673921	8646141920	12690867049	10352816673	10838987026	14186942946	11768517680	13685738793	9171869089	7878875829	5654471392	11751839082	12468098946	6742177756	8429769875	7364472180	9281484854	8595551543	3982090759	6538313988	6697502422	11434665395	11983701685	8018783927	4380032795	4700075287	6958413870	5471857806	8992012682	6453255821	7017469530	5843304155	7747086829	5819953169	4038331950	4590897650	6127828779	3174040011	2963570032	10050278138	5775369531	4368843677	7246996497	8577864238	3343785102	10463349660	7542016047	6432314246	8314020761	9748344000	9895767136	7475107615	8100799997	5852889067	7866110982	7168374520	11779872787
Lotaustralin	9524560.232	18146710.28	7935669.585	3411775.697	9366923.201	6648728.099	5952055.015	4360963.996	4645309.703	2452208.284	5279904.069	1490119.654	12034301.1	4074687.906	11860913.3	12902712.68	11283974.78	6074446.685	17356362.43	12537645.84	5979090.673	7430737.714	8865633.871	7391403.433	1113122.884	1211125.036	1246190.883	386383.5665	355332.8461	1448578.972	2050502.559	3489352.701	3609502.689	732250.9746	883483.9503	2948310.08	7348648.661	14772918.17	17988679.13	7553639.788	5440090.387	5381765.504	2835396.408	7777020.63	3091435.038	5378919.772	2593317.201	1789736.684	9058887.469	7654765.991	7990594.061	10648800.58	9761502.852	11666545.63	5249728.769	7066878.441	3665834.222	5711927.654	6401400.684	7323052.935
L-Palmitoylcarnitine	438419068.3	350316080.5	240362832.5	128249725.7	117282761.9	431416992.4	444173980.8	449145861.7	152562636	120612282.3	477870511.7	77529421.59	179911024.2	223229358.9	183860949.6	194036242.4	430042272.3	455254514.2	271779077.8	108536415.3	519730460.1	186327456.7	341549774.9	209123561.6	15159280.26	15748814.45	20205437.21	8158203.861	28579638.55	24959710.49	86818554.02	43706076.55	154036425.8	117001014.6	214167063.3	73930529.93	44301822.96	148307834.5	79548627.43	51572304.53	86168258.89	58288539.63	17474598.82	45985538.92	20176997.6	27596303.03	29840893.21	9637221.017	56883435.51	57097715.01	83018576.77	60379668.22	87696578.8	88051364.79	132150209.3	120421647.3	58172671.84	55539879.35	104898702.4	84884639.7
L-Prolinamide	581621811.8	514597754.6	507061965.8	262177086.8	266374763.3	368084421.3	375166054.2	325260491.4	404619720.5	429085689.3	313113314.4	316466338.4	374707880.5	194661911.5	371231785.7	411861985.8	209195876.4	207618774.3	358490822.8	301593984.6	356792515	268609388.3	320692991	388373796.4	229459178.4	231224768	285023599.2	272516939.6	226728612.3	277484866.8	120646953.6	183597974	134811379.9	186425286.2	141047034.7	175985093	139566214.9	131789615.3	119113361.7	152402769.4	95301186.24	93723293.7	386801284.3	269369382.9	283192555.9	361481840.5	392873607.3	180096020.8	377956576.3	329659675.5	241631341.2	443885738.3	396686303.5	427944891.5	219006825.6	184486264.1	202054952.2	299025121.7	218228706	187938900.2
L-Serine	81331510.06	234978658.1	210768049.8	142004090	193285807.1	6695543.333	206648312	131351900.3	217258744.6	163823595	150381709.6	164566666.8	223041132.8	192518533.4	2713306.522	208523375.3	172861469.6	192061384.7	168793888.9	167592046.3	153061187	158772156.7	190007387.9	137651342.2	271504350.1	48703986.27	121156462.9	96772759.1	112410407.9	165607988.8	106872960.4	62544887.79	153739666	156755370.9	86789331.78	179139929.4	100370730.5	123611476.1	96080186.61	84524893.63	86536009.39	62661611.04	18562348.73	90015566.72	91289851.87	134919905.1	175769070.9	58824205.64	253607441.7	186937356	156515419.9	263002273.9	182987468.9	233562510.4	198727572.6	183875503.8	174863636.7	234573656.2	245324692.7	167599058
L-Threonine	38300102.91	46743063.25	54838581.82	24977046.39	30332018.54	27767961.13	41617341.72	23184705.53	50765064.64	40084856.7	1508395.103	1662481.756	23570603.69	23252322.53	45460676.54	51576410.67	3345509.874	1717174.927	31977387.86	41080624.2	18029218.51	21086207.18	25125571.58	14255159.47	39964256.39	6981404.818	31544453.77	22192665.07	13121223.09	32341999.76	2936452.511	28492124.15	15036272.12	22540226.16	1211953.809	31172378.21	23553277.51	15242879.71	10869201.12	24238204.35	10447678.28	14235031.19	57652350.05	21717120.42	27246850.31	48016960.44	46703863.88	16908561.18	48131985.93	3035120.389	17429481.25	46941962.27	5019062.687	46764013.92	19168955.89	16932883.13	28634377.02	23958897.07	27504073.67	3161425.134
L-Valine	1590550517	625285042.8	1594028967	829529706.4	1236966046	1262534869	1528684048	1058738318	1365787333	1025114062	1396510467	822487715.1	1117791130	764098582.9	1378564068	1575017626	804873041.3	673529817.7	753460816.8	1330310278	847827783.5	579385033	595837736.5	788563722.9	1369808421	1185468568	1055696886	436463668	443964420.6	818806481.4	562303008.7	975495530.3	644527850.1	510295083.2	284986680.8	831358659	773681889.9	520581272.8	617266076.1	912357236.8	446434761.6	448414966.6	1484882451	734052679.1	603858886.7	974075423.2	1102112663	773533388	1307364469	665942859.2	896582748.2	1101686341	1137187415	1307972763	856406298.5	867328794	939577865.7	983154464.6	941819431.2	1372549717
Ly-290411	295993.7993	353066.3152	279084.8894	265287.4217	294303.3317	266592.2121	295219.8968	317372.5836	294841.0945	280187.0845	274654.6708	265296.7668	272605.9656	256128.4238	303738.9084	325784.886	271081.8589	3311468.071	896697.7977	392979.493	277310.275	1136572.609	1155669.057	257042.5918	322232.3437	325230.7828	284001.6503	299960.0676	326792.9023	256385.8198	208545.0248	233218.2014	236803.8779	274943.483	231792.323	233845.9272	396090.5915	257739.2332	684351.6661	277541.9276	396274.5978	392663.8537	307358.5353	229146.4272	270895.3634	261691.8989	255858.0179	207763.6226	268556.0771	254094.3962	278966.5838	292485.403	283954.2356	279290.6537	249933.3435	257396.6543	232615.0619	258183.8395	748035.6949	304309.3158
Lysine	804025234.2	708407245.9	689802537.8	370359848.7	360210866.5	498273004.9	574632365.6	456821357.6	569049015.8	578076736.6	434256474.3	438642456.1	501481509.7	268108706.4	495241849.7	554095038.8	293044260.3	281494015.1	507991081.3	409285466.1	478650930.9	371028027.3	445230438.5	519907513.5	302913306.3	290542112.5	348568581.2	321036570.8	253001065.7	386278678.1	162577573.5	238042882.8	177917809.9	249399638.7	194412214.9	229753467	189609123.2	184448137.3	161400453.6	205116481.1	130003737.2	130049146.6	547995178.4	369227263.4	400494980.3	490669537.5	545826562.4	255760038.9	522621546.7	454783626.8	332240785.2	606040429.1	533954398.1	569329871.5	290140552.9	250665572.7	279556033.2	405746341.6	293222573.1	248586720.6
LysoPC(16:1(9Z)/0:0)	679560233.3	575141226.5	543884606.3	645166182.2	837066992.3	781703169.5	649633559.6	528506861.4	461038311.9	385989528.8	601361248.6	379074252.5	705211831.6	300622400.8	330871511.9	316595828.7	390038705.1	473846322.6	508021614.8	479633439.5	425968141.4	276678646.2	370533473.3	458953041.7	700252075.9	857750142	804872014.7	518536502.1	655323174.5	591072292.1	229056565.9	274000520.7	430110760.3	270940773.2	256628664.6	489979483.5	631441505.7	471085185.6	312994119.3	544949073.9	414987370.6	254699830.8	366355527.1	402128498.3	209521489.2	308647010.6	344468330.3	133375410.4	646850919.9	486319417.8	665846561.6	882622974.6	469283105.5	669505200.1	577264838.5	543656308.8	334804555.7	700469783.8	303582517.4	535933167
Malic acid	241218729.4	509664405.4	280837180.4	19059994.17	586827184.3	213761097.2	129734107.1	14370118.67	244356671.2	194190728.5	99393727.57	90679037.24	400684293.3	762093562.7	539204963.7	806583731.1	354481024.3	329207512.5	27516268.8	571228195.3	298536861.8	40955959.46	606350306.1	7010899.314	259248110.2	239347974.3	164044764.2	132615190.7	38051239.4	179542145.8	122682481.3	140352671.5	230452608	9422169.6	37966084.12	233615731.9	92598144.98	174706912.6	28047619.68	164335419.2	39477201.9	45688379.98	182933148.3	28059807.84	23781940.4	60694886.72	98776487.35	44097158.89	1246271527	1432799143	147492989.6	661901252.6	949475577.3	1279572539	262294001.5	309980113.3	180587424.4	1051402196	608249773.6	400329868.6
methadone-d9	246082239.8	263131767.4	241171395.8	283159987	260083426.8	271317679.1	254053391.2	287221163.4	262887601.1	269055622.1	279795831.1	281350137.4	250833876.4	275853374.5	250028843.1	260250615.6	263976960.7	255924580.6	247435173.1	253851476.9	255577820.5	271918201.4	256677660.7	271568879.2	215505658.1	149392785.7	156458869.8	105367777.3	31784164.85	269533910.9	285087344.1	291255888.9	269156011.4	297041849	289946585.9	239508456.2	286680091.1	293306469.9	283494130.8	300310953	314453908.6	314259746.7	280577904.6	286313551.3	308412006.1	304310476	282254958.9	335797816.8	244760060	252825784.2	274392887.1	227139404.9	224365459	234385272.3	262402607.6	242433646.4	286120249	267698170.8	251690780.8	229087352.1
Metharbital	9705533.301	6266948.784	5831199.191	2316048.345	6254063.544	6278090.42	2735880.67	1653995.106	5185862.566	4135453.686	2728930.821	4126536.086	5963192.34	3233913.305	8137843.957	10134746.06	6428163.057	7156727.186	10581807.91	8596142.003	9322776.21	3743795.938	7165870.29	3590062.575	9591651.353	6554648.531	4017195.657	1568158.981	5158742.529	3964074.517	2319829.8	4549309.003	3132466.438	3645645.073	2748287.532	5081321.125	5227020.75	4364730.387	4588232.304	4294327.518	2749186.538	2225915.103	8143998	4888517.767	2819294.528	4629169.012	5497615.069	1295795.255	9888277.058	9942836.207	9203111.256	20621595.39	13187617.21	15199367.78	3984044.761	3511419.25	3275130.479	5116897.93	2737973.432	16455620.69
Methohexital	2540072.46	1829269.892	5735182.363	1530767.044	3888984.889	2542549.162	2212148.782	1477143.294	2544883.022	2214804.418	2042781.819	3522181.297	10518968.47	7559562.177	16311737.04	17346923.4	2438957.669	4141557.771	7936067.212	6730387.271	4094123.365	5546225.526	6980898.936	1737489.248	9170902.896	9261256.456	5789587.104	2123195.565	2977619.179	5845275.114	3374422.727	5646865.695	5709483.996	2714446.616	2478789.587	5667536.921	6943122.507	3548100.079	3538700.285	5561448.492	1552393.314	1747655.215	10561926.37	4866985.067	2850550.982	4412854.552	6662747.502	2634431.798	3986567.365	4149810.82	2220944.188	9208471.487	5869441.567	5421197.229	6807044.956	4723196.905	3023268.339	6424279	5365429.227	6762634.752
Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate	22506404.2	28680543.11	13030078.06	2821012.533	728807.952	13740299.32	3520551.652	3626766.355	803502.1167	713188.9251	3697322.612	661346.4187	1404821.1	1432627.778	569825.648	591033.5601	3371463.461	8187077.494	5224194.114	1545377.361	13827640.92	5372154.344	8773072.42	8339137.642	863831.6611	833603.8186	384164.343	346598.1827	531186.7844	483843.5712	513692.5232	291741.3964	945030.1227	1428013.574	2231952.035	582246.3356	426722.3112	781348.0923	860925.6305	584581.8394	691059.5864	489304.2447	381712.4211	774276.747	368861.3696	587536.0827	583271.5741	250643.7	640635.8939	761334.2865	1025478.898	658256.7199	1021377.921	1454916.681	594711.1956	537380.9205	270581.6926	441891.5159	581283.662	537776.6084
Methylsuccinic acid	15506875.14	8653577.227	25799651.89	6514674.608	25350787.88	12068114.61	28075147.33	4134575.865	11669446.21	8300472.448	6198337.122	3441469.61	33679062.19	16673393.51	75748695.25	79384761.09	27332822.72	20010048.89	20523471.52	34501781.39	17501737.13	4937267.371	10037777.17	7476167.078	12952088.86	11090977.48	11971942.38	3597514.441	2309598.662	26605714.92	4257869.651	34840776.29	15394141.53	4295530.884	10931960.93	17839632.88	3708209.688	3550145.688	3880830.03	3902448.943	1719871.943	1598994.38	6927855.947	4545827.973	1797204.779	3174398.493	5496199.955	2851087.558	54930845.41	50490128.98	25402227.03	78926093.2	84447192.69	65792520.3	30837795.87	16732847.62	23228117.2	45495708.22	32758368.11	52379934.14
Mevalonic acid	1913056.577	1815439.11	6412084.001	1938789.768	8393722.505	3657919.15	657228.5794	901899.2655	2395369.025	1367310.637	1352122.98	656850.808	3651174.997	6947092.341	2207266.033	2379941.671	2628147.683	2619830.065	5211527.456	7921884.593	3373042.16	3280679.026	3757020.522	1579919.576	1716995.458	1345092.416	647083.5556	602882.2253	231373.7493	1742484.842	905968.2337	480002.8734	1159366.246	1585031.44	834759.1134	1199639.699	5387557.239	7078413.276	2476230.777	2856983.168	1553379.521	1121173.398	1963933.181	7347347.269	2905719.2	3395328.833	1675070.872	787258.8839	9863071.01	5501603.9	5482901.976	18029364.63	4900038.404	4670456.956	1293337.61	2155110.278	1823142.146	3372254.12	2686531.408	3363649.59
MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0)	9800109.974	482360.4507	2023856.773	2127206.404	118983.3919	3496850.945	102839.3816	90549.80147	114601.4675	87462.87983	106731.2166	20469507.2	89547.02004	88581.32088	95274.68803	88742.85095	207275.6588	2914133.785	2908960.112	4503086.267	3987176.751	2774904.832	3427490.709	2100205.645	285138.701	215196.7882	148268.7147	113374.3629	140720.0663	2917533.613	82351.54802	84553.97269	95714.3001	6036861.25	9123740.204	105865.8431	104030.6656	114986.4609	89436.54765	148527.9068	89445.10494	78091.17884	859541.282	308120.0405	426074.5695	632457.5064	596153.9771	1523334.908	2087042.575	2495805.821	546414.7092	4748005.375	5110945.505	4087139.119	123309.9338	121039.4237	96103.50635	2050923.482	103766.6536	110462.6577
Midodrine	164717.4218	1019733.093	1074742.328	565310.0257	619876.5632	301373.2723	530665.502	147591.9089	1269039.281	988756.1903	361331.6294	691334.0793	4507142.925	906184.8949	6323681.315	7074284.442	497816.1055	232521.1404	379714.5042	3196585.581	290359.3992	239383.4777	510171.4366	350258.6831	2491561.955	1938448.54	1699559.149	354751.0696	380159.506	1601875.635	601397.2908	1102185.225	727256.894	396973.6277	588667.962	1734561.986	3368169.587	862864.712	1559043.24	1193753.367	471516.162	648675.7087	3304171.743	1741083.872	1620608.461	2777716.556	3071281.238	287418.3468	552885.6278	1067725.326	404993.9648	1881606.52	1354861.134	738612.9642	733567.7627	199618.8637	973895.7242	825779.2703	681759.3275	3285935.901
Myristic acid	1763126.367	1283384.379	779071.884	435452.8722	209790.8523	2012860.811	1110926.54	1573388.274	282609.0339	186102.0221	1691342.03	266386.101	533512.3543	1332518.778	592263.5696	582779.7211	1496432.292	2416355.164	1370135.762	411211.4801	3930349.651	1293117.802	1951926.73	1295817.235	75943.71969	72965.75614	56085.32846	60566.68708	76540.20205	53193.24844	213060.5634	57478.14068	220280.0353	327335.4495	1769140.953	67465.46546	190194.1676	491341.257	242183.2083	211881.2429	194009.7796	260409.6397	45034.83969	70937.70303	38029.27608	41399.50539	112961.9302	45966.61198	134696.8086	154519.3402	88549.99111	85317.77569	157022.5582	231053.149	207869.0883	202512.3018	50672.3889	251029.0826	281240.5216	227491.7619
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole	14564769.5	38946012.38	56189895.03	13902120.39	83202680.34	36015617.95	3342299.957	2169817.137	9486643.564	6709020.706	3069021.537	11514270.16	33486136.23	44169661.55	30783324.81	32613203.99	5229892.401	3002253.594	12435595.48	23012176.84	2782711.671	3124564.645	4730930.446	8877682.678	15202278.33	14067988.24	14386746.1	3381887.691	4550338.854	11215239.81	3807914.223	7976521.719	4819820.337	5541913.77	5238783.379	3909541.608	34148169.46	12779776.13	12284564.75	28933244.7	6899300.125	10558107.06	35991085.82	34879180.68	14350330.17	23057938.85	36984587.52	14817731.89	44339246.49	61436271.86	69283501.65	106346053.3	56758632.11	65439575.68	5169038.074	4042066.822	7294414.419	16897183.12	6443689.524	22901135.64
N1-Acetylspermidine	830567.6776	746881.6114	8552773.923	3017908.905	9294088.223	3988490.821	3462331.807	320531.6037	6338486.505	5808338.788	1473070.112	2496252.808	14954498.82	14447015.89	12383670.76	13167359.86	29699625.37	26504170.19	31626432.4	14167987.92	28961112.95	8775817.733	20228214.45	8760750.579	486942.9109	441047.9898	3675220.026	1807946.87	1524239.596	6316130.899	2851114.513	5966836.033	5744432.098	6585254.375	1072844.015	4062553.15	5194273.902	8670053.668	4176295.414	4175062.858	2579099.681	1619750.606	5247909.396	2541886.88	1812567.978	2940726.938	469550.4367	1202178.152	6632915.851	6321306.526	8670583.384	8417457.058	10907652.51	9295317.328	4308646.079	2985594.749	3481712.903	5495099.313	2456132.954	6992295.7
N2-Acetylornithine	13520676.88	9865769.204	12313349.01	2461545.192	16411845.36	5232869.236	3528693.694	4431978.334	19312057.39	17758793.46	3229135.969	8366213.022	10033950.85	13715202.29	17449882.46	13686945.82	4414084.547	3546079.602	5012686.591	20180274.43	6459026.832	2678901.043	3030127.729	4050869.547	8093994.377	9850792.258	5640873.92	6616243.622	5428910.769	9035429.876	4042676.994	10791767.72	8080024.217	6109222.789	4552031.455	6907827.593	6998511.978	5605513.203	5377807.743	10034803.45	5491702.516	11403100.49	13668245.18	9708232.844	10417059.57	9117768.17	9333912.485	7378967.255	7056137.238	10104565.63	7035083.04	22544649.66	9876076.298	14960648.97	6759744.58	7062442.375	5076837.7	7800843.03	5122961.422	11616487.78
N4-Acetylcytidine	19540165.31	12451804	9948334.695	12195849.72	4438639.228	13909544.65	3739355.941	2932497.659	4019261.253	3190085.78	4335753.207	17279986.12	6118652.318	6023065.618	5009909.963	5299883.701	11659291.32	35876933.76	26096099.2	24493209.85	36266310.1	16928612.4	27496623.98	14046733.63	14483364.4	13876407.35	12450258.16	6415955.858	6949797.985	21690925.28	3318352.424	2341460.666	4846474.601	20642343.51	22121401.6	3231913.254	4436330.82	5693139.004	3393159.21	3933913.377	4920713.299	2345539.711	19807559.33	14308683.25	8011904.374	12976757.97	11651451.19	4620182.664	16900964.3	16046018.45	25518258.42	22227728.51	21722663.43	21098686.4	3431662.606	3552275.922	1963281.012	10414061.52	2657915.886	5142161.282
Nabilone	63440731.81	584465.2704	2269709.137	7728626.446	6188222.657	9249319.055	13700982.33	93892288.63	3453689.688	2858533.033	122304314.2	26363428.43	2059817.085	1476132.239	1000134.358	871893.645	4170871.82	21292949.77	93390093.33	551235.9103	37651813.11	4871568.871	14649542.87	3467196.96	227107917.9	146604161.1	532016.0158	529646.5143	592116.2191	23406411.08	530708.5943	12222946.11	4712569	6625727.469	8266054.933	9273553.652	15734893.98	18882033.57	5482331.969	2378748.813	974881.4129	21146120.08	611808.9703	659357.5096	476986.603	1120995.619	602051.1072	421794.9202	85910971.73	37901498.3	990623.5251	78417743.87	19202532.04	67626566.06	20157837.59	107093706.9	9796076.919	138442927.6	15861562.37	2494683.432
N-Acetylglutamine	14694944.66	15152936.27	18826811.55	5577436.515	26976922.73	13300660.03	32239704.41	9915188.358	19452246.36	13751957.7	18159784.8	3044930.189	20349043.92	15029307.53	38858313.34	41215093.61	17376176.93	9565698.741	11194180.72	13844190.56	6201958.571	10930420.06	11595353.06	3675050.9	4243103.403	2737039.636	1906205.524	2818749.58	1928061.534	2427946.371	3029333.665	14695858.96	6883938.68	1386381.257	1792273.085	9775240.024	7566923.907	7238670.084	7523805.952	5745129.427	3974745.303	2204434.049	3983157.584	2622066.073	2026749.903	3267817.036	3521140.805	1653690.747	19394301.27	14799451.34	13784597.47	23040291.52	15061368.08	18623020.9	7442024.54	12541534.39	9920418.165	16211358.89	14808496.92	12876784.76
N-Acetyl-L-aspartic acid	7775337.477	12088089.3	10217187.55	8906916.438	13390894.26	9142723.336	10012270.14	5329972.848	9924577.598	10054412.97	8590399.967	6061047.499	10781869.44	8199416.813	7284460.134	9614080.582	5311919.081	6346419.228	7344359.282	13345916.16	4260721.969	6714013.588	9743204.259	3592147.943	4007264.887	4278492.55	1064068.946	2217371.185	494510.7623	4663667.012	7997589.415	5374824.229	7270671.048	2162895.279	3565043.294	6704343.427	3826568.613	5318680.59	5727413.641	3522536.164	3737788.061	3921624.798	6292889.287	2916067.491	2921135.626	3842847.838	4593558.983	2873764.039	21470703.98	15172703.52	9490873.58	18443513.17	16544927.56	16678665	5661242.342	6538170.815	8816224.568	20480478.43	9549370.618	9857434.958
N-Acetyl-L-glutamic acid	4884429.232	9220902.421	15673397.23	3559350.881	13129874.17	7213085.024	8225830.369	2945365.396	4447277.099	4387625.044	4647240.661	2119514.33	15552969.99	5699015.41	32480509.76	33561584.77	6557602.621	4407045.624	6205910.65	22473998.73	4238955.853	6494806.95	9249329.707	1381471.362	15632548.41	15431099.74	10447609.25	5042423.761	3167387.835	12085469.57	4328556.256	14986878.27	4739102.031	4179484.161	3399934.969	8454377.17	7015306.35	9096130.127	8624896.148	11804605.86	5318570.203	2806472.42	18508748.6	6603792.068	5265368.9	9566205.876	15004502.18	6208570.169	26312422.55	27641223.82	10088110.29	30715417.55	43916737.57	44572599.98	6110120.533	7823152.965	10427087.43	35565512.25	13167017.17	24885012.96
N-Acetyl-L-methionine	13767832.99	9563805.537	19151615.73	7067490.719	23414120.62	13618218.11	18850511.67	6874781.33	9847642.373	8629331.582	11557624.87	9814559.047	20900021.41	9980796.304	34408699.3	37755409.35	5953623.972	7669140.521	10204590.47	26776565.58	6390880.276	7508778.611	11435655.25	6651233.8	8409568.251	7277451.126	8465586.723	1650176.408	6661027.159	6730572.21	5777186.249	15671048.76	7975034.811	6529123.656	4109210.195	13998239.07	10040903.93	10728036.53	6598823.599	12254072.06	4410581.122	4217605.043	20146455.68	13696948.93	5995023.729	10134702.88	11908549.95	5370129.257	40182726.9	24181632.66	16764199.74	41517164.8	28474436.94	37722696.66	8107116.324	10965123.41	8777695.603	23466859.26	11773567.1	17429239.64
N-Acetyl-L-phenylalanine	45475009.07	29468196.56	68108624.19	38971060.48	65228866.84	43223229.64	51101617.42	13952840.04	53520605.44	42342708.16	16945123.65	30137013.31	106246231.1	25199457.54	104111780.9	112971636.1	12160706.79	20074731.38	15539693.39	33026642.01	10770055.44	8941678.693	12934362.59	16499257.04	17522644.58	18097814.63	16908051.53	4923131.452	5977191.827	26098094.27	17858219.11	52171506.03	42465633.41	26281697.21	20449028.21	57126237.42	25218837.62	18896918.81	17812802.89	14858090.91	13785765.75	6678677.388	11987732.1	8785224.234	6137899.19	11053683.81	16122731.13	4493388.825	113408869.1	78774031.76	62030354.54	131137184.5	98616345.54	115178354.1	33865255.1	33589525.09	54030195.57	78592377.38	80127565.49	57129234.71
N-Acetyl-L-tyrosine	66657496.96	13817263.45	31429642.84	12374134.03	12099016.63	27657275.61	54695578.73	42529249.29	37196726.29	27674802.45	53829649.23	5696762.341	15044727.27	9095412.769	27614329.93	30145720.11	7297168.609	10153849.44	13480818.67	6412587.836	9293346.299	11127096.58	14074007.58	14481706.51	12342217.34	11691271.26	2915774.944	868616.694	1378373.385	7204501.873	1816263.937	8048199.073	3100943.724	4652875.873	987701.9942	6322936.089	5318714.179	5413044.715	2537668.089	4790163.737	2779399.751	1654662.509	7256170.174	4156339.794	3793998.486	5702896.11	6338823.259	1186645.333	22303539.03	15534978.62	15141492.18	32648050.39	14828408.92	19740458.06	4083271.912	3829594.326	3853361.738	11573857.05	3227094.87	5794731.313
N-Acetylvanilalanine	1642109.722	851070.5901	4675968.186	4260001.792	2498907.89	1369396.626	785854.3866	402231.0478	1468808.57	641194.2577	562569.1927	3243319.94	6592726.952	1469718.549	12742264.93	13520981.53	936914.3692	1098385.185	2917486.761	7868786.36	784161.3592	1919053.264	2431809.593	852182.2727	2312809.896	2242471.854	860788.731	479119.77	441978.607	1392807.286	343800.6431	1050341.967	537079.3994	484002.756	463607.6016	762734.5664	1126719.311	1207001.416	505898.6491	2264010.508	530672.2829	416629.7058	3255758.407	2149445.074	989739.4083	1918566.694	1641326.777	667688.3302	30155350.58	22815809.15	3619920.955	34983169.29	25628755.29	24453065.63	1147483.965	2200789.463	1947313.124	14675887.21	2751572.505	2399093.288
N-Formyl-L-methionine	6838640.112	5127979.46	18264983.25	2802674.157	33564590.88	13010867.59	40804766.62	21865123.21	15568954.84	11028872.77	29586093.35	2137857.545	22903878.46	12477923.94	41937148.95	39638313.13	7199962.297	4592879.67	3650626.351	1973441.009	1776074.101	4734094.079	5438354.554	2052048.776	925257.5977	2050574.939	2106883.922	1488615.771	1023209.404	943522.8274	16489628.08	30394284.81	19817456.11	1351435.126	1347307.596	21163230.72	10080965.32	16392693.67	16600868.17	28163229.03	9638373.785	12150518.92	1130963.625	1257796.748	848092.8693	903795.6074	1020018.894	643350.515	4892426.197	3041081.975	3469969.348	5199953.587	3038818.633	4347997.149	8213917.706	7572418.976	8060636.076	7296452.597	9259570.706	18308630.71
N-Gluconyl ethanolamine	21832673.56	23644232.36	19608015.31	14048679.94	31485489.59	19050501.63	34504775.18	11571954.17	19126251.65	25813542.03	24460071.36	16323430.77	21133293.31	21555264.31	25077334.87	24574455.82	33170080.1	24334443.6	26570255.34	28665615.95	22623984.25	12716513.34	22062166.58	16813588.62	45435829.87	27769232.56	16566922.35	12323580.81	11967616.35	16648334.01	18845900.51	17524184.44	37244053.18	25121881.9	27338572.81	30159093.38	1282962.977	33062586.45	16427859.44	30260605.14	15941005.39	11899414.55	35325736.42	32806887.92	15434266.82	22073955.63	20902195.61	6902667.045	16251613.16	15549440.1	27929228.5	31599831.23	21217058.52	26701210.99	26072724.45	22744012.93	17451015.74	19654287.27	25764758.99	35046063.39
Niacinamide	710259022.5	504230090.7	738498570.5	383859037.9	539892989.6	565884396.9	616867545.2	594681922	819529900.9	606072916.1	1009448117	391096711.1	663543369.2	431449461.7	545233112.1	456999230.6	466997236.2	318496283.6	367795429.5	792464476.7	463243198.9	278635242.4	315728290.2	639073857.1	643933639	351430910.9	506323406	157077829.2	45154084.29	265604342.6	240529757.6	487780941.9	292018413.8	162991698.6	186380026.7	287407892.6	397568342.8	492647142	618048561.4	300691818.6	342552829.6	209843748.7	407720676.3	486285969.5	308071221.2	428821491.9	265677963	304412096.8	628505549.2	456961835.2	560595598.1	732820162.7	553048335.7	491421163.7	396451358.3	380642839.4	390675030.6	469111336.6	313709375.3	373413685.8
N-Lauroylglycine	984157.1481	469219.5896	603767.8661	1876445.355	405076.4553	1011190.397	910786.9045	1477234.877	1309626.888	1101114.214	1784186.242	1509365.168	280996.9027	4074495.751	1563989.299	1588323.913	2578684.935	6157404.473	1489912.304	622419.4105	2333217.615	1067164.667	1306454.94	1470508.536	278389.5817	239609.5324	652560.3085	474864.9512	672111.8719	405943.846	3184622.746	469020.6266	1692923.403	256080.2719	937156.1259	323390.2747	690565.0937	1115951.362	1006277.243	578839.2722	928276.7325	795777.6023	505495.487	259622.2695	344388.0558	238317.5445	318556.6301	167567.2997	229741.878	376368.8933	229637.6793	378508.1348	416488.5307	297979.188	1330369.491	1135715.714	724445.3544	734372.888	2357294.628	3279298.86
N-methyl-L-glutamic Acid	8705409.285	26708210.63	10477868.28	11717840.99	33280817.81	15686485.39	14226735.62	4550310.428	15097756.45	13391467.07	5040054.56	9368147.22	25218361.78	38597190.86	16467448.09	17549664.04	19387609.82	14333725.93	10165190.72	25342366.05	11127848.96	7429557.655	8784072.749	23018903.3	9886378.737	10501436.43	5794228.349	13750247.26	18030189.91	14515426.95	8262493.939	19191825.99	10896767.77	8779730.542	8025958.136	10964218.93	26682199.52	10577760.61	11776434.87	17205544.49	14847923.92	11703203.08	12013833.4	31471329.53	23664503.48	24775847.63	14239522.73	6075522.146	20747518.75	18867993.99	25813382.11	16707614.04	17883298.38	24872615.15	5814717.002	5631568.352	7548362.931	7141611.435	10676141.65	18129068.51
N-Methylmescaline	10238829.37	3978171.28	7183725.443	1376345.733	19669206.29	5561905.331	20315384.22	13172683.35	6469485.066	6263715.278	17930671.04	1937224.661	2857430.188	9415343.608	8182714.061	6887817.719	13401314.07	4397236.802	10643366.73	6386039.921	10087915.47	4626080.382	7749494.955	1175203.314	989892.1519	643660.2745	1889356.363	499811.945	1093712.545	586869.424	2875181.727	7684689.001	3643938.287	1815393.279	1375748.592	6052883.979	5074391.446	4512472.542	4075225.223	7694925.518	7304098.919	5656325.79	999311.5423	1252227.134	519422.5091	767162.5687	921269.2309	368782.4406	956976.5644	2915263.649	8563492.748	4538036.646	1762435.119	1490934.829	6715575.325	9171625.824	5198498.965	2231644.028	2471789.466	8807085.407
N-Stearoyl tyrosine	24629359.97	14135443.19	10727614.14	11271837.44	9977105.415	13455425.03	24849676.66	19222031.11	10765487.2	9957683.996	18624084.13	9767215.113	3900275.445	6708698.182	5917019.994	6309806.142	18710766.37	23270203.89	10417526.87	6260340.247	18698611.4	9779650.036	14629431.68	21236872.26	1635263.679	1173252.07	1453964.11	1793174.296	1835947.321	1949036.863	7832856.816	2336505.086	7939936.362	11374293.24	5446290.775	2478040.46	4263533.45	11937060.46	8559135.477	5917077.126	7304541.134	4851495.789	666777.842	2893517.717	1788974.435	2578553.992	9360192.831	1941473.43	6196600.557	7073354.429	6646713.467	6013887.345	8549361.232	8563268.271	18781841.96	18334867.78	9917391.663	9796237.591	5249996.007	9170889.087
N-Undecanoylglycine	34904733.08	30498505.22	33583259.04	37869127.42	39307257.15	31097216.66	32551586.32	26071369.82	31632883.93	36345917.92	42227886.39	35068541.88	35746277.29	28789039.24	54665632.2	27513970.34	29839425.96	30498126.81	40326225.23	35790593.93	33957554.25	25558825.29	35412178.38	26896282.84	32274888.11	29068783.29	24538910.32	21376204.43	14265110.58	34079556.15	29557037.21	44319677.13	287203637.9	36847074.98	29910256.97	28148337.27	36884256.2	31064141.76	62410403.25	48642625.97	30066187.1	27754352.49	31288014.34	31574649.96	24982155.19	35043635.25	33550316.48	27409638.26	31516667	29234708.41	39476907.74	29863396.33	34452954.16	35526454.69	45960061.99	61769415.32	24781666.34	30177376.57	46473149.61	38092077.73
O-heptadecanoylcarnitine	5736951.88	5680941.921	3398483.2	1291025.173	1142145.826	4651015.513	7132446.592	3434489.153	1945719.097	3326742.109	4829606.491	1575686.376	2786296.758	5759136.544	2099319.744	2595849.816	9277406.865	8234123.203	3261934.148	961171.1718	8761036.611	2030348.849	4894342.963	2723643.194	1481851.761	684200.5717	839045.1722	573704.8533	683028.9725	773186.4231	1200915.151	1433994.992	2633762.139	1394210.826	3192287.895	1066626.248	839938.2215	1692616.144	1478916.903	876481.7905	946463.7427	575361.7298	924409.0993	1000497.239	614599.7358	757212.8662	1634123.014	531651.062	996558.3731	646090.7245	839392.637	830679.4312	865609.938	2406822.016	1467569.328	1116966.738	811438.2319	808939.9083	2127800.426	782364.7142
Olanzapine	8258116.321	13674275.86	22253630.95	79193177.78	36566348.6	7570916.186	9297725.984	60309630.32	125640874.9	2496433.404	9374845.2	4139585.116	15544194.54	20316342.12	16126121.62	38670223.33	20060247.21	102821566.9	123693812.3	16163923.02	27767485.42	32836302.61	72433025.89	4767065.418	25479544.14	14415040.14	48408975.71	8101219.271	44662804.21	47310476.69	7807259.612	41286642.39	54827628.59	7811714.43	2643761.873	27060864.42	72062599.19	14154284.61	87418096.47	118342807	45650512.72	5145973.527	29082227.69	4995183.559	11123599.19	10267397.34	9662408.137	2646432.097	25949665.53	39472109.13	76167184.9	30645479.56	35786122.32	19166758.87	35167468.67	16871112.9	25728059.69	14399945.76	46151109.36	74094858.75
olivetolic acid	7009973.812	1296855.613	3016737.533	220699.6627	157700.614	1769480.797	1548204.552	927209.2065	107591.1246	102594.9628	1304826.13	119115.1446	223160.9239	199817.6894	205491.1504	330928.4035	1137579.046	664723.7561	239132.1918	152498.3529	2347789.709	238820.9863	1133035.349	569099.6104	300870.5324	289556.544	153570.1951	184526.8088	268261.7864	111338.8186	105375.9144	106364.6795	160794.8469	96676.76355	176147.6028	132566.0738	448332.5928	753437.4861	286880.7824	305101.6696	826506.8428	99398.16347	127460.5618	145026.3695	104499.4615	122076.3835	139121.3551	92665.23136	118765.8812	160309.1167	118148.1211	210149.8531	117161.1498	359383.2659	113551.3609	132645.7101	102671.9298	127385.8766	110856.3268	359580.8393
o-Methoxyphenyl sulfate	11779640.43	196537.3869	469277.1546	3886411.254	860095.3647	3757452.469	459222.3221	3530939.17	9247824.725	16464488.04	3164655.209	2238269.481	2301479.131	2145678.948	268018.5607	361676.1901	2148267.419	470927.6602	5609368.321	174606.664	257328.8225	414400.1046	2113091.682	285827.7214	196086.0529	242315.3564	208273.6632	310268.3817	273826.1965	205100.3128	3061485.321	6505088.971	993950.139	12840873.27	43487530.35	11068893.52	1092040.027	383353.0559	748791.4679	546126.9938	433520.2227	325175.0508	389213.3091	1292045.83	241914.1453	495839.5715	277549.9812	2640862.895	249813.5839	6105877.396	39055414.14	3350630.065	278826.0694	1161854.681	4208288.904	3013643.363	703105.6671	18907039.6	1921121.871	2745318.776
Ophthalmic acid	3998516.203	4598736.526	6983891.415	1272082.711	9382635.113	3869825.837	1755943.451	1149707.138	2692853.995	2603312.327	1371138.095	1829629.443	3534383.609	2038535.683	20022047.9	20776470.8	21446433.75	5267800.45	1186226.807	5957644.437	8663872.582	2225404.737	4330322.206	609814.6216	1162437.897	542483.8755	1244538.607	620521.5378	520100.4594	3290346.29	14393941.03	60387088.87	64397420.6	3769428.25	10149850.92	75957106.91	4044740.536	5826656.122	24769632.99	3201488.811	6487801.881	20244874.87	4047870.154	1302475.724	1368068.286	1463530.712	2856140.29	1422352.703	6159000.116	5470477.713	2781351.362	5132794.401	5758947.913	9529967.334	22415803.57	17558438.56	5946377.306	5670573.047	52652683.43	3954677.871
Oxidized glutathione	412344152.2	737501738.7	482873778	221318922.4	1069295744	573265065.4	720580399.6	327645973.1	317608354.9	338760543.9	379431585.5	181968409.7	1084376815	631851460.7	1097805399	1086445324	691100035.7	277545419.6	197617666.4	743591847.5	340339670.8	260231245.2	293193894	154957745.1	31715792.98	30071603.4	118662773.8	42811710.03	45058893.85	231735820.2	419070307.4	2208053462	626114207.9	276957608.8	217153760.5	768018520.3	389460053.3	258928235.4	565411977.3	358341124.9	347758669.5	339992664	106363880	184838318.2	122582523.1	148700155.7	169510603.2	170219046.6	1335170377	974518629.7	550278257.9	541474215.2	835181749.1	1258876416	660565652.6	750111171.5	462301901.2	470596032.8	1003308573	552695061.6
Oxoglutaric acid	4731831.471	4213385.484	11148075.61	2210619.767	19512864.01	5899656.12	2652176.494	2518189.25	2047623.555	1790176.951	3635564.871	606838.7317	19307847.51	16958305.17	31509179.84	40227392.85	16638548.56	16484701.94	14013152.63	20277726.76	16475648.95	8036325.408	18089454.48	1938467.099	31079412.65	30246798.72	11904899.51	6177233.74	5287589.129	27103640.89	7655536.065	13566968.71	17985534.45	8774942.178	6673158.29	19225240.67	12995806.32	20083125.19	12258250.14	18469757.41	8515499.952	8641271.837	21991150.66	3613214.413	5237604.5	7931639.087	14679555.55	4507813.06	39860169.33	42372561.09	16849490.4	65844206.08	40465219.97	62600709.06	23736479.82	22803908.99	18740574.07	40575962.05	26477311.96	48816744.88
Oxybuprocaine	1151638.118	1504540.844	2126579.119	667333.0033	687857.5072	673605.5925	906200.035	600233.2165	591559.6463	794076.7732	868847.3238	2875891.68	984777.938	1040595.687	3223097.392	3813711.261	1285359.321	585531.3535	792989.737	2841915.441	602173.2167	440370.2949	453100.4	7733789.88	31985334.29	29907330.41	11359353.28	3931882.392	5665572.578	7014909.938	526046.6158	673283.1047	417332.7971	961329.0481	2816534.157	2566196.405	614862.4742	466992.1965	329120.6385	578317.6967	457884.8804	423496.0879	4844224.977	1225252.766	1161208.237	1693672.318	4952246.026	1386729.62	2039116.145	2193490.524	998385.8656	3071457.417	4266979.48	3405750.634	1273072.042	542994.9224	2928529.815	12494402.3	1030404.046	8862739.522
Palmitelaidic acid	19812845.42	3880952.617	5604699.551	4418982.861	8988803.446	10184217	3912496.335	4315859.949	1868529.89	3056293.679	5599200.026	8162650.176	1149754.636	5502677.825	1205813.849	1255985.404	20300839.39	20532127.31	8715587.486	1261702.633	15717063.02	5332811.644	7960559.369	13587716.23	1592017.375	1079384.93	1266536.546	808339.151	1012834.9	1167816.867	3177349.234	1733369.302	1271646.82	2198778.971	4120144.976	1624106.258	2061594.595	5952411.436	3829534.633	2832284.295	3062974.036	3765846.04	2386821.304	2868252.317	1088228.377	1053375.948	2592323.631	2095616.395	1127819.463	2004048.975	2407700.674	1166594.206	3146953.391	2805881.709	5008630.502	5395308.535	6607336.882	5577596.448	7132652.702	9954364.672
Palmitic acid	2332615.172	2403895.383	1488008.158	695194.5688	667050.1645	2301322.347	3204164.849	2559444.799	902303.018	800093.9556	3182459.147	791612.5287	1180619.649	1985419.167	1393512.285	1629349.259	3446703.319	3128820.698	1837051.621	614270.5637	2605282.81	1197146.562	2353373.141	1467099.465	128650.1744	104517.4521	133852.1686	101580.6142	313855.186	128784.7554	693187.9478	312823.6971	1098533.993	990154.2141	1461988.37	475312.6706	312650.3778	1145879.311	652066.9088	588766.7949	679431.4896	445645.0806	213525.8801	391405.6569	253118.188	351294.6582	319686.0556	147102.3684	428227.1624	689365.5122	500079.7134	462150.1566	598761.8561	462641.7639	894817.1268	803991.1892	436654.5128	528770.698	917397.8161	596027.5486
Pantothenic acid	55000743.4	77359018.41	99945021.9	59004390.32	103678184.3	61669683.68	82824255.2	21114292.07	66866316.45	54873664.77	31027415.74	57199876.92	74489572.28	62194346.42	131215672	134199746.5	59007825.06	60447748.08	133582597.4	263757062.8	74216381.21	53687976.54	80330298.94	53954404.45	277898751.1	265583209.4	163902544.5	78144964.24	77413347.2	227474733.2	73507098.41	88226627.48	72441539.79	132714380.8	89241000.22	117790124.4	81884248.76	54654678.35	46327596.49	71197010.88	35163478.32	30814153.43	204213233.8	128560620.1	75021942.31	122639602.2	138603050	70180088.72	279409298.7	179998373.9	132166753.5	239881243.5	298557247.1	291793731.7	99729841.27	145742878.9	94676788.46	143206079.3	124870903.1	182571136.4
PD-128042	29946782.09	9444371.137	6182952.933	4771615.773	3657969.104	12506948.11	15027162.87	32315141.25	3194243.93	2572748.215	34195502.14	8054039.007	1888045.213	4496799.659	881034.6582	1133161.213	13401646.86	20380163.06	29142122.71	2648947.199	34796328.04	8837863.835	18661537.37	7738938.695	48280982.6	30832904.93	872218.0992	539801.2863	1388435.696	6707878.185	2966908.975	4201982.851	3865501.055	3833578.709	12704170.54	2858805.766	6191460.7	8965033.563	4370618.385	2159402.296	3012427.389	9416268.895	1000070.927	1488319.542	1222553.826	1460790.451	1906872.931	901560.5347	25006890.96	10289250.59	1168017.807	17701381.33	5698353.901	16419101.88	8320395.318	27111341.25	3267388.873	33906598.61	6162977.332	3485908.423
Pentadecanoylcarnitine	9155381.538	6596046.28	4518586.383	1772006.563	1712862.796	8984302.992	6985081.303	4632971.609	1545179.966	1156888.453	5794016.718	1861606.713	2807403.746	6805557.522	2213886.065	2213103.581	12429113.57	13317266.62	5187095.38	1509368.527	15449096.46	5078745.845	8130427.686	4738155.458	708669.4293	847447.4461	398277.462	394065.8307	554357.0009	476455.8967	999945.7333	426506.2515	2409521.411	1168480.255	6464108.141	572509.7859	587048.4409	1511575.395	475328.4258	727052.1898	988119.2962	1951752.504	641002.4433	534487.2803	375522.6194	673369.6157	840267.5039	378192.175	579414.1131	786921.2962	613180.5663	572712.1007	1356614.762	963406.2062	2379527.182	1588850.88	1549514.071	424151.696	2954381.677	1222133.195
Pentahomomethionine	18838158.41	23707810.55	8649475.572	5922558.77	4013776.167	9669314.116	7535754.24	8805252.97	3533212.856	3129595.419	9557950.087	1651997.01	6935704.027	18353055.63	4782450.477	4686092.706	16544161.02	19365663.73	36045893.03	8642886.886	33283886.43	21198294.67	30147695.99	13070325.98	173385.6213	269685.5763	379161.6662	154033.0497	557758.5735	743055.3908	2445372.445	1082140.416	3075206.521	5365693.453	6250181.487	1469820.136	1073374.811	3646093.486	2170147.876	1229490.301	2519665.232	1007141.633	257207.263	1835429.182	536973.804	775502.0399	628314.179	182835.0365	3115642.965	3271645.011	5289550.436	2448706.47	5130846.483	6944637.988	3349827.679	3102335.73	1196157.223	3710233.881	4838528.747	5496189.458
Phe-glu	58928379.61	52727965.03	58949179.86	15355631.02	63484024.84	37182075.65	35201703.55	17015284.36	26970594.7	20073004.51	24102867.25	29755432.94	52470518.99	16244776.11	103097728.1	114611087	29230048.48	25399652.05	52407881.52	62592176.26	41925674.1	25129717.91	38869133.18	11672978.56	96122393.21	86874788.34	41511820.18	19178817.63	24898477.97	52513815.1	24776444.33	49548259.67	42887466.13	28445937.19	26845980.22	56209554.54	76170009.95	42608424.09	44308393.89	54889185.14	30085421.58	31445310.47	72025650.28	46978320.2	28908508.14	39756590.62	65109695	20432442.35	67480065.56	50823115.43	37065886.41	71822866.93	83337751.18	71947867.42	61662562.79	58189267.33	37446423.88	52650994.49	52321126.35	71591570.14
Phenobarbital	46166100.97	28442130.32	22292653.49	10582933.7	23591714.17	21954204.44	19614046.26	9980039.978	24321451.95	19178914.2	12176005.06	20405171.26	7320105.815	19834729.48	37233494.22	42698625.24	5286051.973	4743343.308	20326915.01	17680766.25	5797236.963	14619788.23	19559931.44	3012924.661	4218344.078	4530028.79	7971096.6	2771973.308	4883085.235	21344669.71	1727703.019	8441385.044	7399899.723	8529269.836	4649955.849	14973726.57	5725894.106	6471558.638	5699956.319	7120103.387	2534052.857	2151205.854	16213555.74	10273868.29	7099889.316	11814053.66	11260088.88	7751794.788	37092001.77	38258498.36	64519908.1	55098927.01	30538813.45	61420359.74	5071751.265	8835144.999	5641787.305	31083707.26	5016290.64	18424418.14
Phenylacetylglycine	63763922.48	45240163.31	35450080.09	38317522.33	38420121.41	61398048.27	81488188.73	46056576.71	60125215.92	51440329.85	57920202.45	52533740.87	21671588.27	49771380.03	21295172.57	23660106.45	22644530.86	10331503.35	77597650.89	37889755.34	26406781.02	36225325.34	47566580.39	6674342.443	13855257.57	12321157.54	24912359.15	7819408.653	13327826.96	109542555.5	32894720.17	40297793.19	64660313.26	24840666.2	10815723.76	90532222.19	19618786.96	52569354.98	34509451.2	36177779.17	33634436.39	16330098.96	28796408.39	24256712.16	16338641.03	24623248.55	24373318.59	9610326.938	57911759.23	38004285.56	71264972.51	45795940.22	41478767.29	51561883.91	30637121.78	42029965.81	24202127.02	47921908.05	17092782.76	41973753.02
Phenylalanine	6861026008	5013466143	6465398737	4232942336	4238877655	4996436850	6090137628	3428799899	7009730188	5936040029	4328401266	4874180788	5041435803	3400619568	6927914046	6909292218	4721759126	4992514218	4444636901	5547182335	5168388459	2857994770	4327963758	3322755717	8671771183	7328561611	3612179457	1636800062	1656894805	3741256955	2850749783	4690364192	4484212512	3044770854	2794858108	4766363404	3637461689	3512353366	2999965781	3427826966	2159665519	1638949780	5631047889	3538543108	2559395119	3699921404	5093460559	1920679063	5794457631	4117834477	3761111123	6242485068	6479048995	5502067765	4411069653	4040665728	3526440439	4491280495	3776237917	5511162011
Phenylhydrazine	4159406.526	5929484.506	8881535.77	8052172.074	6099869.133	4856129.287	4677775.341	2635522.582	2872372.074	2259871.715	2964572.509	2614070.753	4117902.46	3531262.819	4081803.387	4473674.056	15959761.25	31479152.11	15309220.42	30955700.76	6702895.483	20880323.57	21292295.74	15303794.21	2088636.248	3433783.138	7008354.299	7808844.215	3756711.652	7595177.677	4116770.726	2402038.406	4995363.791	6791093.4	10648716.27	2469189.531	18123619.72	13621322.83	6360151.333	14795453.76	6092995.626	5619432.849	13962776.39	19785769.41	15296456.36	21528340.06	28280504.34	12319103.15	22606641.2	14195532.67	14483528.63	19497924.32	20691688.19	20853086.51	12593395.24	11555228.13	8054380.982	8701706.813	11854168.8	5541836.406
Phosphoric acid	656029926.1	368543888.6	667110943.9	765324027	809153456.6	611206691.8	340769416.1	560065034.9	1268120290	1284757737	558392006	846435822.6	932069163	852534147.2	528502239.7	575928000.3	917900960.1	988406259.2	888239264.6	668981044.1	572217350.2	1219290821	1256703272	363409866.1	184470730.5	174218526.1	113316763.2	132602205.6	91688741.71	279724035.1	639814635.8	313698817.9	740937368.2	362367141.2	242374060.6	502969790.5	220879393.9	226839958.2	476550465.2	185267799.3	141735675.1	242094317.8	112686665.1	107617267.1	125519323.5	186261614.3	148868393.8	102313599.6	715700647.9	619575353.4	903091803.9	722295565.6	477129735.4	805140252.4	415079879	579632848.8	552403002.9	706461427.3	755884987.3	500906560.9
Phytosphingosine	163310.8461	182363.8738	308544.5845	354253.35	265689.8397	364005.5345	271308.0264	280179.0099	388976.1511	174608.911	197677.9483	366557.3603	167354.4002	163657.7835	179338.0626	311109.595	271214.3009	177967.3102	388481.5828	400695.8679	159582.0528	142509.6014	265579.9902	400889.6129	595212.1588	544812.289	301892.0891	160145.9358	163745.5964	191235.5112	163472.8036	372931.105	354700.8533	273417.607	344129.1425	252649.5731	570558.4358	304438.5977	253297.9524	913468.3201	241795.8376	150072.8416	274997.5412	262302.6612	323974.0491	196712.177	357648.3197	256585.7318	285812.9672	331226.2687	472435.7316	606097.1347	281953.3617	475278.5422	435142.924	323342.9938	296553.2719	295951.2555	264263.2253	339628.2132
Pipazethate	1414636.695	851462.2946	1093937.115	646871.7745	1331353.692	1540181.02	479982.4213	952929.8472	1268094.483	1375965.036	1120843.94	719732.1786	1455821.088	709381.7204	803389.1436	1335553.73	1042847.166	1143128.174	1384490.879	1130517.597	1032830.147	799566.9838	1199195.189	995114.3491	1501384.906	1596793.607	601577.5526	584825.6613	370834.3543	1024435.907	663425.4224	366094.3851	749701.5728	775224.0739	3668293.556	1422391.506	968802.0958	1953222.683	2214609.789	1287359.881	1486939.882	1499474.198	866525.9604	611611.362	581370.7187	973246.7114	452245.9717	335046.8124	498473.6546	859298.4101	651732.6877	1080765.109	636801.5762	953821.1812	989427.6268	1367108.959	1141303.603	938056.3605	719681.2736	2287822.083
Pivagabine	23176179.57	9604111.508	27330606.56	9160544.887	24745154.92	14429993.49	33729007.12	21569067.46	18728513.55	17233800.71	22718865.56	7484821.638	47670063.21	26633842.52	84271600.36	88521246.51	31922778.44	19867871.99	12169390.69	13712274.19	14641217.34	7476278.283	13851343.66	8561354.66	5236679.721	3888076.406	2757460.483	2264608.876	3169058.052	3799835.09	14723545.09	17387975.98	30585621.8	6736031.184	7077776.386	16015915.75	8616222.57	15483550.51	18172024.3	12610127.3	11056564.54	15318731.06	3294109.801	4274058.443	1151950.011	2053972.984	2113156.045	732006.6443	25454925.17	25747423.34	14495923.12	41886118.04	51405768.15	32697760.27	17164778.41	20747503.97	23746395.8	54037593.8	47458413.15	31703231.93
Platelet-activating factor	13251324766	15993385177	18893209842	12179119200	14360454519	12783340489	24116168476	14640557304	19761305415	17556464394	16737209777	17259537092	20704252630	13535363142	13329853320	15687340922	15840726969	17576032872	23190504012	29196328307	17156769226	12264508491	14891290008	10603653384	8964508994	8985945006	15849944983	9923818316	7964259403	13209263448	16700378491	16738520901	26071693840	18344983858	11564843378	16932954521	7422896606	16134830127	11725696774	13665576742	8880441278	7588156911	17470078335	15650449502	9924726394	15260945298	17011885279	7761816331	16450125817	11592924968	14446288355	15302751736	19504943810	20909746233	19452143452	19161214863	13836578161	14303273891	21423045593	15732568262
Porphobilinogen	4814440.263	21656236.6	7683260.692	1883235.805	9280940.787	4522063.659	3003600.425	2008165.751	3911818.761	3114754.628	2675933.726	3042686.471	7406679.408	12050609.41	8990460.292	9865050.165	7609263.404	4300410.687	11031835.86	12080827.56	6258021.824	4437000.793	6724169.229	6075702.439	4024294.884	3706429.495	2773122.267	852279.1268	1628920.501	2606270.748	1987245.314	3035378.609	1899163.003	1733458.848	1430774.331	4356510.808	3870507.172	2644997.846	3756124.915	3816815.231	1969454.023	1064187.558	5903684.514	4990474.807	2243703.791	3059370.494	4293315.086	1846878.879	6772282.736	9818156.263	7689126.611	18851159.28	15013215.76	11509751.57	2703426.078	1828058.469	2946346.316	6104629.753	2354823.685	12522343.86
Prohydrojasmon	7012477.955	4841735.804	5471405.577	1260889.184	16226620.1	7708338.532	114242517.2	46113657.09	11471306.27	10353356.97	53654829.72	3503681.501	3742505.647	12694311.9	8687788.142	8258937.789	32039566.7	2243588.881	1200252.468	454232.7946	8528401.227	484678.9709	3222886.208	1705505.469	1195384.581	1150076.937	759460.1547	207350.7739	317216.0447	258772.8387	13120521.79	5847250.563	17610226.13	672075.7882	1291898.944	12549143.4	4744961.131	11138334.37	14976532.41	8501634.455	10342519.81	23463906.57	303978.4331	267578.3763	244026.0646	248025.6677	324525.1393	177570.0367	366522.9693	324580.7605	364983.6577	740856.288	443361.2874	321701.4151	11877458.16	12726391.03	9627620.96	3655936.724	12613307.06	11946523.22
Proline	93316669.51	86065211.35	182535267.2	81016624.4	113915851.3	73359407.05	125058148.9	59796700.78	135661800	108553130.7	90558668.76	126929903.6	145233835.9	99760617.69	240669982.1	240381721.3	56762216.36	44642257.24	100470661.3	201631459.4	59114108.04	49376369.01	75769300.49	51239515.27	330514076	263273330.1	125081218	54893974.26	56379564.9	133662186.3	47697596.96	135358306.2	69715638.03	40558781.14	35175174.9	110731563.1	93262337.79	66331343.1	67623443.24	99281874.9	36346256.73	31449083.82	211058759.6	70735040.09	100903346.4	142255278.8	182114818.7	63590681.15	216572569	158242618.1	77197969.62	235013460.4	192080424.9	239204316.1	118899300.8	95348158.46	83598246.33	107143833.9	119276543.6	88079288.68
Promazine	340301.5077	146323.1425	42412923.66	160539.8907	261757.7106	144879.2867	212160.0943	160661.3435	173031.1597	129525.7859	204532.5033	1458407.037	60057399.87	23956458.71	57576407.45	52690797.84	13593366.86	14640553.12	27255838.47	22945305.55	18334383.92	12694819.46	19449199.59	21475346.35	378944.268	371149.6084	390123.6766	256429.0416	404386.5567	398983.6886	139679.4818	280038.3257	229294.0908	147663.1468	203525.2995	281901.7321	455246.3926	233768.9244	213930.4799	222543.3959	306023.6469	241685.242	400609.6964	409272.5966	400916.1946	481159.3433	609753.6426	244469.6233	132260.0911	158402.2372	169260.1441	150979.0869	138323.6242	321828.3288	269093.3064	156440.1355	127268.5709	146045.8164	142310.8901	254585.4267
Promazine 5-sulfoxide	778402.145	4303671.973	10767876.85	210459.7443	303293.1409	775323.2137	712896.2038	843518.0946	194841.0388	307714.8862	862400.1068	360899.8009	11929035.69	13355248.65	7227845.694	8969742.047	17319059.91	10668048.28	13447501.98	8415020.558	12670179.56	8774645.687	15971707.21	8163646.535	392129.1245	786958.9406	166239.4161	156228.5713	164945.7302	220347.159	1511298.279	176952.25	2337547.119	260188.4913	800939.0683	548854.9359	142176.6288	1009724.921	976820.7132	568451.4423	575295.3477	193629.3077	363412.0942	306560.6834	142320.3418	227682.564	188970.0146	128395.0775	161174.4694	366303.999	368354.3579	246381.5234	207230.369	233817.8514	607889.3602	720926.5054	477492.4417	186103.4089	912946.962	381786.4366
Propionylcarnitine	113450262.9	269118095.6	102510265	183486935	210510473.6	130155577.8	238618938.5	48634105.5	240082439.7	188612103.1	57205544.27	115683543.1	54483776.18	40296249.05	126545501.6	130850738.8	42325526.76	66915328.5	120225791	106293165.7	61235601.82	61665318.75	80547976.98	34814277.4	663217329.2	691306600.5	489616119.4	266427117.3	248427754	655592670.5	551137274.2	421844044.3	841644777.6	373963563.9	167579332.5	1077083463	151908174.2	132195983.4	199875822.7	203143125.7	73943944.36	141804425.8	534462988.2	119937654.2	229858716.6	337546143.4	408151929.8	137572384.5	1305435534	609889128.5	90786608.7	370502563.9	829572291.8	1446142162	528541122.3	489273635.1	323909491.4	448748151.7	523270848.2	332736720.9
Propylparaben	2149313.282	2696388.699	464526.6592	286465.7701	270801.6801	427232.4747	215734.725	445359.8747	256642.4006	183236.3863	598551.7447	198340.8091	412125.491	383162.2863	346243.544	387117.9526	590613.4741	485425.9393	494596.0732	405663.0576	524325.9922	712987.3576	979744.2993	412895.6571	298398.3292	230551.5189	193251.2291	198590.8465	301471.9021	252167.4923	233182.5268	182000.2561	206152.7282	192208.3117	224835.4857	219914.4403	230279.678	322033.9988	257546.2459	305149.3644	180838.076	184419.0414	242356.0141	252415.607	185043.0787	244303.4135	220352.3815	157546.0319	187655.4345	187971.5139	228858.4878	250346.3057	228627.1185	478756.6013	224780.0281	496042.0334	415803.8843	185521.3179	266776.8941	688580.6679
Purine	8959993.538	10990235.97	8692391.274	8908950.626	11635116.48	11038751.74	8020382.996	9318071.488	11928892.79	6932104.792	9464989.152	4826756.766	10063099.13	8155913.179	12284373.1	7091583.243	13361954.37	7235385.147	7545448.162	15367156.51	7632542.566	7231973.481	3866327.071	10933545.92	6956106.434	5594331.875	8229338.239	6658157.812	3012567.041	8479278.207	3680570.578	10897474.95	11075954.29	5563719.455	9785100.282	7286538.269	7084686.056	12503895.17	8647646.417	5811790.407	9261365.91	8364405.712	9421261.082	9604926.03	6445053.228	13828324.06	8721878.418	6424779.387	6893476.5	9282059.001	10839742.11	9127539.725	9192309.598	8261517.218	7903906.066	6228168.671	7540140.332	8733472.211	4531387.974	8026436.486
Pyridoxal 5'-phosphate	19406420.14	8991824.324	3988164.89	3546904.582	8544623.696	6129369.243	3839157.869	3469083.603	6640913.105	5640294.386	3488215.895	4048686.971	9556082.852	9611803.899	14832787.56	15973907.62	2506081.003	2499535.065	1475598.009	7488563.492	3088872.436	3017363.915	4704551.113	5924206.922	4415396.12	4118896.52	371395.0399	399650.8238	596082.7229	8404436.194	178409.5946	3235752.798	5333150.612	2693407.453	1883095.493	1763335.37	908365.3202	3511436.297	2433452.093	6763424.441	1077860.927	636923.4087	3457336.277	260741.0981	373639.9769	378847.3507	1558034.98	1190963.782	14584150.72	16276130.53	5155760.501	22206852.2	26318235.64	30856865.36	2957970.865	1734154.704	4392953.654	38463535.53	2387280.696	5286947.765
Pyrogallol	4280338.351	2048436.087	2062278.961	619385.9395	1823849.896	2189624.045	1916921.89	2394777.22	540253.604	265204.0664	3094587.242	639128.0153	468750.6892	640726.4895	502480.9298	478353.6302	1828141.474	6385842.596	1649325.716	1148375.996	6038513.294	1220801.894	2859633.716	536934.6073	1148026.686	1119848.21	1531929.747	1349228.965	1124319.05	1190193.908	1489019.544	646830.7435	1374171.314	1404241.152	2633514.121	229820.6849	611245.8207	1396137.429	1094568.205	484250.3961	1285066.08	453032.7062	1954712.319	989577.9	406650.1775	856839.4321	1253409.688	368111.0901	553220.7613	618888.7469	1826993.808	656846.277	443640.8356	912643.4685	857925.9639	776333.9158	172134.1894	299177.3959	768094.1088	1683374.296
Pyrogallol-2-O-glucuronide	808958.9871	1432513.826	17638543.55	580486.2054	8093882.076	2782201.034	2309231.131	4138495.046	10499258.33	6831113.291	5595768.796	8673520.322	21237610.74	9202678.319	65041134.66	66963381.5	1297587.867	625355.5259	562704.4849	20637544.82	509981.8558	425724.0568	430910.2734	1173248.059	37365240.57	31735425.57	15419683.37	5045451.097	2600993.831	21527302.07	2458803.458	14981176.72	1005178.305	6714890.952	751026.0494	15117688.42	20830587.36	11402771.77	4644623.362	26504257.5	2643819.674	2501195.346	42277047.78	9598598.409	7934357.842	13474472.6	26110887.15	9857814.539	12931978.88	22273001.88	4098775.389	56763819.05	33251541.52	26005641.53	9550898.895	5937350.482	16797065.39	30381261.51	10933670.7	26901845.97
Pyrogallol-2-O-sulphate	1771994.049	459013.9191	35601783.3	422580.0618	292599.4823	743905.6798	297858.9295	686856.6095	300250.2905	851970.8439	1121029.974	3039402.946	6027146.87	849812.8735	34056278.1	35879241.67	260902.1724	1970816.024	643665.2221	3189928.946	1230318.466	1428808.582	1978423.954	216362.5415	5351049.945	4033005.115	2517927.31	879525.9547	1214601.915	1236844.42	603062.5957	252462.8888	261745.3772	2196170.847	847029.5127	242580.8519	615989.6144	555998.2043	215942.9195	1466311.481	233736.8559	193074.9896	2902509.433	1651762.658	1791070.797	1799340.828	3399353.567	2530581.958	6906516.398	1693420.032	1016641.989	6457713.539	2938490.782	3051408.224	292503.8982	275140.3696	224141.9475	5435386.264	243355.9856	747021.5349
Pyroglutamic acid	140603899.2	496050188.3	305890228.7	218819743.7	194948080.2	301347370.8	539780744.7	202304973.7	629990365.1	451868110.7	302667190.1	266454894.4	448538416.8	414818022.2	93315742.91	566428381.7	480640662.6	509363593.4	445684212.8	438330359.4	369779360.9	232505617.8	551741025.2	225435982.6	652923765.3	674742825.5	179470154.8	132724845.8	293607921.6	286119157.2	256814402.2	242780508.7	252408409.6	262536222	242406308.9	471746733.9	157862549.1	264858395.2	160701679.9	132053521.5	120256028.2	88213502.62	420234016.4	121828125.8	159320202.4	355366241.9	302997387.7	121841618.9	722575026.4	284181002.8	257320064.2	508061382.7	411369288.9	655494328.4	553546746	405724498.8	255132347.4	381178992.1	728836659.5	244592342.5
Pyruvic acid	241270780.9	478548534	273301693.5	29167226.8	573999505.3	193784396.6	138781116.7	15153025.75	239460356.3	196250509.6	97242801.04	96238161.4	381788589.9	726154524.5	521670033.3	723367815.4	342995541.5	328558275.4	23042906.97	528667223.9	241936377.7	16963934.06	553994913.9	21232807	247260975.5	235637945	170890531.9	76009199.79	94838917.54	195499896.9	130864017.1	171189715.8	224402625.3	44094708.65	50974815.41	244691346.9	140529317.4	170649930.6	43867328.6	174244987.1	36463067.51	35954336.58	187100908.8	85402326	21459779.94	81935164	144830343.9	72513075.39	1211740569	49944566.49	128981280.4	628640804.7	915592648.4	1240987349	276371423.7	308150571.6	227489203.9	973535092.7	570969916.1	397550697.2
Retinyl beta-glucuronide	2792042.195	2821645.559	3692009.373	3138143.85	5044082.416	3592509.258	5214499.166	2223889.571	3143649.705	3143843.562	4320000.269	4764281.21	4563950.945	2908860.286	4082674.41	4203672.167	4161986.83	3962763.334	8397912.366	3638594.945	3568984.968	5911593.772	5918566.976	3618395.832	133449293.1	151255966.1	6630443.95	2031296.638	2024818.846	3396829.448	2983819.678	2735754.261	5145132.924	3121657.925	3521389.695	3980475.207	578505.807	3410214.199	2258718.62	4758874.703	2113050.912	2233861.895	4469710.117	3972848.471	2180807.167	3792355.407	3088760.956	1371950.122	3802618.485	3045951.202	4556573.826	4323476.403	3485580.096	4567915.24	4113848.736	6231437.2	2800611.736	11353299.6	3420506.106	5205765.967
Ribothymidine	8104906.02	14910429.5	8028329.554	4097352.264	18484131.33	9588722.703	10598714.76	4875358.251	5893689.088	6219922.593	4715467.242	4700019.988	8375234.509	19093601.83	12884219.95	11799425.9	6987449.897	8069993.32	9502752.339	9187199.057	8642788.811	7994799.035	7442069.134	6093275.825	10005528.8	12018500.53	6208607.687	4908483.294	3950494.609	10482181.57	4782037.989	10179882.9	5929925.727	9315445.302	5976539.077	9477104.152	7434052.6	3722762.933	3446995.938	7334890.255	3941061.958	6902263.786	6679302.436	5427029.586	6245612.085	6073585.664	5998838.599	8020042.117	13174820.67	11236870.48	10600418.49	12189179.2	10636245.94	16044839.64	8903501.408	12847194.65	12144065.78	9725746.173	13024770.52	8094171.447
Rizatriptan	7132832.382	1846438.533	7981853.918	2531049.045	15052255.23	6546158.441	6268304.255	4070484.308	10483595.51	9204665.883	5030004.151	5784162.8	11896779.26	17758614.71	16168112.36	16431971.47	1496853.019	624048.8323	4984850.445	10128019.29	1396230.171	1644114.828	3075619.427	1505541.3	5182221.697	4605157.317	4387399.99	858316.9249	1401978.926	8270416.839	811072.5761	2478743.763	1745710.351	4024600.077	2450665.633	9491393.28	7271357.96	5604573.961	2773744.175	6012304.818	1445473.177	1858520.746	6987359.408	2019028.222	2637543.478	4306705.007	8484057.365	2000448.627	9648567.772	15209151.45	15974570.17	28426223.88	14004707.85	17321598.16	4965719.211	2862429.605	8758003.56	9603097.553	3588384.059	15777829.37
Sakacin P	5952672.374	3993215.339	4160194.765	870731.7283	3808681.96	2393179.521	1236688.101	667306.619	1792334.413	925828.808	989745.2076	1029934.229	3731245.565	2117266.037	7025740.431	6611862.649	2254077.917	4414102.403	4124328.628	5228930.102	4110934.09	2193558.664	4345460.704	2134201.468	3805561.902	2793766.91	2108231.674	1222988.784	960469.5579	1974283.921	541827.6121	2655939.205	747410.3418	636240.5284	885896.3379	3818391.146	3760005.855	2324656.804	2611643.985	2606329.828	788811.7033	810832.6114	3719204.278	3534977.096	881567.7941	1850510.054	2643601.091	471506.6689	5104006.153	5468726.773	3317564.977	11096636.02	6645383.71	5518510.456	1064328.621	711442.7849	1856867.915	5290014.646	1656190.047	7968404.412
Salbutamol	16166219.81	4637559.781	6791563.06	2301360.193	7296946.876	5566962.924	11156813.18	12006196.83	1812689.609	2054858.445	13799037.35	2601170.053	2466110.242	6652828.607	4775694.271	5371229.732	12339879.51	2881467.688	2881166.196	1596378.68	9372645.983	1902044.068	3612965.265	4315764.906	1700203.936	1508170.609	827321.399	596297.5319	667696.2773	863477.1775	6205299.223	2094053.072	6901679.671	1820285.1	1675755.996	7782135.543	9165249.286	6012050.04	6631500.682	6576895.106	10897766.18	7641408.318	1040442.911	1296385.07	812376.2067	1022796.196	1226363.079	505183.639	1050027.908	984364.1947	1177788.642	1210912.91	2355430.308	1756596.597	5132633.54	10401280.02	3096847.27	2278940.838	5341074.506	6202241.151
Secoisolariciresinol	15164989.64	5697097.399	4039311.494	5237257.269	19083445.12	16094016.89	7087769.12	3737205.057	7022899.578	16428368.35	4099174.021	7383440.938	6405574.742	4491686.467	6607168.243	14359744.62	19202646.87	5690956.055	5623216.977	15406348.9	5510974.56	10099471.14	13846680.48	12527661.98	20898400.63	28823312.26	3740243.636	2105955.265	1929866.965	15564759.08	4994579.827	4431406.847	8286317.576	15535242.05	7014461.609	14170146.54	313841.2913	6536895.555	4151972.561	7793303.714	3876063.669	2943315.69	15574657.05	4676206.17	1445183.59	3850311.854	4729449.735	1837006.209	12965148.76	4242095.065	8178941.32	6591678.884	3893761.166	12573401.77	6169480.913	5384218.49	11686582.07	5100883.65	5135803.112	18160248.08
Serotonin	1879247.982	9408098.081	21262885	4900793.962	537509.7771	2636927.304	2054687.006	399870.9513	1934605.356	1071184.897	1338418.031	2704877.576	1722342.539	2378179.75	1843627.98	2742477.86	88725208.5	971205.9905	4680924.059	4571229.869	9318845.984	1387749.591	4897689.53	1823245.499	3786233.893	2880507.264	58096992.21	33607732.89	2378049.567	48930192.22	1673997.846	1348907.316	7376637.116	14847204.24	21227296.3	1053903.508	129744818.5	72128072.31	42642927.66	72181149.91	53356169.73	16894202.01	110471637.8	112155701.2	82326752.85	98852111.61	166928348.9	25101563.18	150358301.3	40317326.77	9867527.053	33146671.96	44214739.29	66594359.93	73364387.99	34220568.57	2484705.575	2043648.526	43070089.92	4562473.31
Serratanidine	690793.2169	1177670.192	2339452.699	500013.9918	1773089.478	887107.5572	1437204.92	1381867.327	1375076.883	1164918.222	2203181.422	947722.0752	6416110.081	5139533.346	3848989.591	3876950.267	2050009.736	732783.9211	1534285.432	743967.5715	857200.1168	563402.211	924478.0426	690772.1873	765087.0395	968045.095	694117.6579	463418.5875	629076.1861	519503.7385	1345900.942	1492133.981	3527978.2	708101.0438	540898.9991	3407927.124	4997247.965	4259302.371	2730278.941	1472752.132	4249649.394	1047148.14	649901.9496	1162245.499	454194.0768	726475.2419	1434284.801	416042.295	632673.3707	506965.0142	845806.0187	614024.48	618785.091	590998.5578	1059136.879	1260838.889	674598.5943	569084.9498	1603900.38	1550930.475
Sorbitan laurate	314313903.1	51839695.22	54963739.5	14619188.34	1606706.545	31307326.87	5703842.177	5228485.856	1802102.667	1892366.603	6352315.526	26985875.12	7900023.213	3276732.003	9804842.614	9523014.888	5622681.554	4091199.155	5416384.621	5980033.189	5086259.589	2937058.731	3628492.403	29736563.98	39693937.03	39413180.45	2374295.425	1486045.43	2371272.32	2606853.642	904189.2776	979315.6541	1456748.327	1401412.839	2290961.872	2276490	1361951.372	1637386.367	1035811.711	1411731.37	1042349.166	804974.5843	5321989.812	1902359.199	1668808.383	2474502.257	3683661.919	1618171.345	8272559.139	19877840.12	2413822.193	40234710.21	39264758.63	19858530.24	1868190.77	1875710.097	3549879.633	34324353.74	1963978.581	9260410.171
Spermidine	28474615.54	7692736.73	39236739.55	7780094.673	27426054.81	26575144.79	5343083.605	8647554.808	8012893.115	7993824.517	19627796.94	8828146.238	4817781.573	3396174.941	26008516.77	26139648.72	20339727.81	21096877.25	24160887.54	21386960.67	25044469.11	10264242.81	16581308.97	7139308.193	29673876.26	30136154.96	48303289.65	12777864.64	13276358.99	39615894.5	62274085.66	59831652.29	99559762.82	67069928.1	51281510.81	55632338.52	23209447.48	70362131.24	56982701.94	35628898.73	29380698.6	42376006.11	50430703.1	27641772.31	20910067.52	34208696.01	54691596.06	28465483.73	38081343.86	18385175.63	14481495.81	27870121.6	27911034.84	24089718.81	65170271.07	69084604.16	34381664.05	28146821.98	26304531.28	56228059.9
Spermine	1554335.63	335861.9528	2330031.794	493357.7271	696352.461	1877334.367	691393.8977	610535.6598	762517.8442	1263615.895	1285504.105	669453.4	490532.4008	302449.9062	2007904.773	985266.1917	836916.8217	1624593.163	852832.7475	740144.1642	643785.5645	284892.5037	574547.1336	350689.1515	1394703.885	1407193.995	1850063.219	674984.605	667055.0043	1490594.952	1477493.336	1151374.929	4984032.269	1831575.599	3451507.665	1281820.951	1262714.165	9394905.09	4945095.754	2301535.687	2123683.331	2369592.397	5854984.904	3918219.722	1461798.73	4506589.272	8013273.118	1268676.115	1199876.144	624674.4653	912481.753	1755584.853	447499.5251	1012853.551	3112224.552	2355684.448	747784.8038	1516545.286	712317.8342	1521755.053
Sphinganine	11432780.25	6739312.776	14312668.05	13495901.63	12913195.24	14897213.18	10558742.35	10878436.7	11996138.74	10998379.17	11912066.06	11331264.11	16836010.48	11902594.11	13172170.71	14171413.43	12583890.36	17590164.23	22643617.03	9151271.447	16929064.61	14156570.2	21170622.59	10134293.03	16563464.81	16865733.89	15031608.31	8747065.226	13646400.96	25149774.79	13040319.1	20412419.49	20427388.13	13895950.7	13696211.04	17379036.38	10463034.55	14322562.73	68629800.43	15966178.66	13834581.23	11017956.24	11914658.99	12833573.21	10001140.53	15757992.13	13785201.8	10366494.72	13935905.29	12287195.69	26156409.76	20577250.19	8549290.349	11179980.51	15641967.57	12885298.33	18491611.73	7947415.363	14116937.28	8791338.246
Sphinganine 1-phosphate	29643876.48	54268899.9	39010216.04	25846364.54	40730287.28	31921426.36	44245149.16	26105337.08	38344812.72	33559617.24	31047948.52	26958800.74	25230524.85	19872052.67	30737409.18	33361559.41	31894131.49	30017751.33	29178641.91	51244394.78	30366825.45	31511563.16	39886651.27	13183757.47	10954165.07	12114788.02	29572472.63	17011874.99	24435430.56	24787110.5	33554896.99	36703080.21	41163242.82	51592704.07	35875879.77	44769919.23	27504122.33	29300140.15	22731917.83	21039856.47	21383891.96	13255205.05	27894152.43	26561861.98	20254390.56	29979960.27	36214108.46	13240934.94	45381477.11	46977336.25	45825134.48	44890249.8	71098562.79	69690769.58	73582870.2	86440888.25	47368916.16	44607681	85461309.49	50084212.72
Sphingosine 1-phosphate	186819915.5	262620323.1	216976074.9	151517038.4	268831907.8	194127658.3	327434870.2	214389968.5	328789499.9	303772849.2	243888168	194820621.1	181437092.7	114438028.1	202845066.7	183425126.6	169491347.8	161307046.2	185460120.7	246810170.6	152754796.7	131685806	205180447.2	96759361.44	82424749.89	87685626.84	119597683.7	76939313.03	106546374.6	131081497.7	175212737.9	196362974.2	236687645.8	159213750.6	122095507.5	270016273	146438659	175067580.4	122566448.7	97104780.8	129448792.2	70242808.72	137530733.8	120166839.9	77412766.63	117555545.4	139692489.3	53816710.84	246934711.6	202833075.9	222629278.8	231011858.8	297541679.2	277929197.7	335990661.4	353595559	231881634	206693547.8	362852597	279578281
Suberic acid	136622792.7	36307089.56	38992246.02	15250736.69	11464409.7	33633138.94	33813319.37	20531718.53	7268886.334	8140916.847	28932284.62	14974761.64	8664681.813	11315471.71	14740727.05	13942896.74	24470263.79	24228773.23	8701143.093	9738794.425	37383578.98	8234152.309	16790061.8	38064709.85	24620560.22	20552096.31	12390658.63	6824068.621	5125225.895	15783219.67	7611010.511	9555466.204	13483325.89	11103070.27	12688192.05	9518928.941	5049191.394	8572426.237	9612244.357	8476325.72	5855360.202	5442896.004	9006643.06	7265364.159	5362198.428	7683289.661	8551290.776	3873216.216	9177835.497	10693169.14	13051892.35	14218169.98	12139820.53	15935282.97	11664923.22	9581565.403	7309953.718	17354360.6	9568074.897	12554644.81
Succinic acid	268749939.3	462284088.6	677098408	332132365.8	632400111.6	293324481.2	853303482.1	193312224.9	535008813.8	431691991.9	240576299.9	48072972.68	1198134650	784631682.4	1777983998	1968807715	837734518.7	411340492.8	977820409.8	2028051513	694627863	511561532.4	672813479.7	446715253.3	194496487.2	184204545.5	187307576.4	84711547.99	36697582.09	313982969.4	240179254.7	1097031090	391926191.4	97666123.72	96753523.13	412332871.3	50885260.7	81403316.66	142844445.7	63518651.48	52664590.44	26031622.51	87425573.49	26889105.85	27273904.73	41134976.48	64866178.8	40246152.46	2017258232	1347818884	557025738.9	1359878523	1920221528	2084486071	914986984.1	1342831844	917535025.3	1405904233	1526241040	1040403889
Taurine	1388322670	2966480871	683459777.9	372150839.8	365295001.6	749956928.2	1599888919	733683493.5	469237947.6	528684084.6	728193296.1	344758469.1	387615157.6	587445270.2	168964753.4	200887375.3	279623691.1	533806517.5	773465655.4	328790974.9	711493313.5	341308691.9	614033697.6	349758672.3	144711818	126717460.6	292129057	143227014.9	135438814	305631763.2	646282792.4	418196104.3	330758639	235876721.5	222024872.6	287045976.1	205340227.5	341814108.1	382766573.8	157145555.2	296448078.3	350944109.2	396243820.7	371372013.4	298683288.3	439415474.4	286993665.7	258492406.3	393375714.6	273939978.7	205899569.8	288483540	371267655.9	544851620.8	307867742.9	577326118.7	338265609.4	437733236.5	689190077.5	246359571.3
Taurochenodeoxycholic acid	6099907.306	4121213.465	6553390.506	3226672.633	3023893.86	3763562.324	11063211.44	16742698.25	2827958.883	3247284.822	25943812.7	8660993.365	4113897.369	4227764.231	10345031.6	11847729.74	4448100.613	12526337.36	8681668.035	13343571.13	20254164.39	4074413.915	10224096.87	4140704.642	504978802.1	408193989	32484238.68	7558093.629	2860976.753	10545718.24	6815410.506	7553026.859	6158110.893	21214558.03	14138926.56	11034826.48	6999574.148	6818419.604	3460059.379	5458109.931	3252444.584	17970766.65	7903816.028	5624723.887	2314050.492	4726135.274	8340795.944	3851711.906	27112236.74	5889412.095	4303185.983	7489344.204	15876074.98	10698326.62	19812998.37	37422639.06	10980903.62	59524752.79	8214893.107	31960594.82
Tetraacetylethylenediamine	945965.3071	964139.3055	3372128.8	2689459.722	12646720.83	2859483.929	1628215.279	918694.6286	5997681.225	3653562.707	1478184.783	2566518.593	5688546.845	10549039.4	6137399.164	6553793.722	9160635.774	3842252.749	1829258.708	7103277.888	4067021.342	4910648.633	4761231.469	967170.9792	1708455.508	1565066.461	1391544.049	846078.3106	590516.8493	1318390.961	1610742.945	2506396.358	4242272.421	2181733.464	1673288.417	1352072.404	3772588.324	2361152.928	2082708.827	2129923.203	1562112.366	911574.0365	2529138.122	1159363.663	1195498.045	1664911.033	1998215.768	1043661.415	6843582.54	6940994.802	9352898.462	12193574.6	6260060.95	8015685.222	2983833.62	3266387.411	3325894.65	5778355.123	2932887.614	3134387.158
Tetradecanedioic acid	305828496	31244695.62	64482630.75	25700531.09	6268656.631	48626000.09	34627871.69	28807218.05	11091136.02	10280972.43	35940088.43	59510358.04	7689953.139	18440586.97	12443443.75	12421345.33	54861956.75	60330221.62	36443422.36	19577821.92	85415851.44	14326601.01	36716700.5	92546654.48	12308225.18	11714299.11	3683679.574	1970598.095	2870108.973	3317996.539	4115601.371	3076974.735	8581111.408	5060585.25	22165499.93	9697948.626	3078623.691	4539711.024	3545989.287	2941713.002	3601259.111	2308903.853	8161035.085	9563789.504	3592724.545	5730531.17	10564447.52	2616527.364	8900566.876	10336752.88	5362441.961	12534382.43	18437403.19	16398583.68	8289231.341	7607093.726	10648526.56	24307214.96	9342602.059	23120698.38
Tetrahydrocortisol	11888168.35	3238173.284	3397559.331	3977390.537	63804.85905	3098032.284	67045.36293	54241.20435	61873.04887	58075.19742	58454.15009	1475172.292	63502.25415	63870.00008	58457.05565	77965.44093	1210831.539	23238513.41	24297617.24	9633572.7	30916515.41	10192675.35	19644576.08	6552008.452	1970209.032	1472673.345	2755417.925	1369626.224	3162109.447	2008962.968	56476.5049	56615.64073	91232.45146	5458858.399	2038945.428	68577.55705	54450.19172	63053.87352	59084.24473	61905.50391	56057.08665	55380.98763	5612683.155	7888628.967	2237800.824	3436127.668	1824452.557	1677473.242	2220814.303	7995817.182	5812351.714	14811816.84	9886711.437	11049474.87	159834.8819	228704.5095	57017.2988	3069642.959	59600.93375	102131.8476
Tetrahydrocortisone	1664096.273	1749533.899	2529331.62	817953.6573	1402189.48	1269464.242	285775.6687	262791.1318	286604.9389	280756.9525	296821.266	4670923.684	3554240.154	803420.7509	4524901.178	5307475.521	447414.0293	372223.7929	1289564.822	283547.0738	424389.4751	493989.7047	672292.4372	4788088.874	20530876.89	17036764.38	16326860.04	5851198.795	2461375.595	7965453.403	250175.0727	240971.7847	263165.1341	3331278.746	4030122.824	277530.5234	1606971.305	384332.9061	319516.1214	2031293.996	279685.5973	622734.2833	17622466.38	5177107.492	4498658.213	7008439.699	16085444.28	5867161.578	5178695.778	6906065.065	3265608.605	10119982.29	11441731.1	9420889.3	269954.688	276946.8186	336196.8046	4583417.644	286978.2451	278961.3264
Threonic acid	101557782.6	431409560	126411072.9	49621801.63	260361582.1	48859141.2	32733375.62	87935951.34	58783822.26	61915181.57	68093201.15	60858889.31	39672492.6	211005468.9	58901625.72	68232148.5	77561586.46	88128915.56	52010765.75	87733839.45	78302447.05	99174031.65	123145989.2	26809507.72	57844697.14	44544703.66	52717385.39	27739760	43131693.49	46027114.09	41339444.95	67491831.29	34332047.59	25945347.33	61855964.79	69332524.31	75630999.68	27481208.77	75811747.68	104152671.8	58787817.82	41566481.76	92232987.81	24091128.79	16669371.25	49928676.38	84072113.92	40163466.02	137176265.7	51356882.65	50336207.56	60440648.72	47105144.36	137462279.2	112150325.2	68064984.67	64789062.64	77100241.79	110384361.1	28028014.24
Threonylphenylalanine	988842.7488	3641419.612	2728045.062	1122645.814	4613216.738	1362434.49	921932.0399	1010846.2	1317948.313	973589.0576	1376485.04	748191.2646	9597775.282	8766934.106	13247543.76	13390226.39	1124704.571	741443.0613	3026229.077	7019739.433	635860.122	1028694.237	644878.9197	788494.2696	1353800.404	975965.114	1586755.82	739193.5102	663636.3258	966331.1635	452812.1889	1993156.059	712297.0192	595687.6448	661432.4656	711674.9868	6464737.731	2059291.396	6208104.723	5317664.556	1883272.524	4089255.031	17196285.02	7829533.18	6089844.672	6361229.346	8762966.498	4828309.342	2247882.456	4599303.067	1542641.469	7097441.47	5159638.279	2883208.008	645016.3635	638039.313	1832645.117	5393556.811	651118.5094	8381813.563
THREO-SPHINGOSINE, (-)-	2278651.133	4389748.424	3737656.999	3284793.036	2611083.664	2035897.716	13942129.87	3082571.92	2789916.879	2388010.409	3941764.188	2461433.299	1914267.144	1170984.39	2608558.802	3077633.984	1032883.471	2032035.788	2001585.82	3903338.295	1151678.68	1597109.993	1782392.175	988807.0675	650522.1053	807274.2156	1380192.202	1059021.999	1147726.752	923757.6501	3047315.138	3428971.119	1695107.477	661385.134	655778.3865	3454374.321	3036310.623	2057405.854	1778432.778	4745888.28	2089946.083	749623.2939	1379690.034	1327394.589	1040915.48	762403.3387	2000942.277	855511.5856	3240919.211	2381854.574	1723855.401	3032392.746	3330902.771	2632163.221	3701752.294	4018793.993	6487320.616	8509779.537	3939739.377	4979577.962
Thymopentin	2429294.017	1939077.492	3455382.951	1986391.627	6351632.563	4309858.268	8477975.648	1035846.917	3446576.452	5990235.149	7128641.137	7264839.984	3675297.119	4917803.38	4617453.163	7467212.055	7679551.449	7311051.302	6090011.383	7602945.051	4482338.099	3366592.721	4946282.321	5090831.163	9160537.856	6155040.31	2197852.686	1069748.808	1791149.15	5298708.666	4934154.815	3929150.872	6950560.782	7598571.401	9679167.476	7268244.035	202009.0991	4863346.146	3139774.803	7534031.95	3312646.628	2902488.066	6879250.979	6097152.328	2812596.83	5408135.6	5106718.793	1874736.021	6115759.626	4784275.085	8255716.541	6422819.577	5829129.639	5694171.202	7624351.303	8770894.595	3785313.186	5852830.639	4867292.851	7083410.376
Tiglylcarnitine	3931926.65	1228636.875	2198776.85	779031.7803	8810311.042	3594322.042	9567736.992	8657786.833	3208839.465	2642598.094	10884468.63	928898.8818	2008328.539	4244638.76	4131283.118	5014128.161	5345509.281	1160222.988	6132587.051	3069131.452	2112546.436	2495862.567	3217846.732	742181.0408	557738.1373	445470.2168	509189.6006	235106.8161	266204.0093	649528.4406	1636688.565	3914605.649	1085591.641	634643.1906	254500.6315	3436666.875	2492979.218	2329612.754	2492481.941	4974041.369	4277239.643	3225464.418	1130888.36	1166526.25	437639.3511	875841.0428	788481.8372	166892.3822	302474.5953	1575963.946	7361561.537	2277977.586	744263.5743	983975.1949	3170275.845	7605818.576	2596587.142	1204071.502	1068277.093	3567349.38
Tiglylglycine	28420597.34	15580010.42	20212258.25	7938268	14082278.09	13606211.09	27763459.62	17085314.95	11462279.39	9601134.402	20319733.04	7118041.561	11188208.07	17257815.02	25661581.99	27148075.2	16169038.96	11337493.89	9397918.25	9598678.193	13704415.84	6412593.583	9542563.54	9348241.981	2196310.994	6143709.758	5815202.928	7661469.427	10222221.04	6247205.745	7900962.653	11078082.64	11969671.88	6816979.669	10313894.85	12346737.82	5106705.043	8083567.138	6938924.671	3671636.143	5718983.242	4551600.043	4723055.013	4805139.384	3383517.924	3519826.773	1674981.993	3565112.515	20195141.1	12278073.77	6763003.474	26134782.02	18611732.4	20245812.14	9710802.453	9143383.369	9819961.505	14990636.24	11685454.98	21166201.1
Timonacic	693517.1914	3087229.738	23980190.57	547372.5895	46860273.43	11299901.06	64417029.03	57487934.14	51381662.52	41367835.03	66598215.75	2896364.973	30552357.5	55631589.92	56384380.94	62879605.36	15377503.07	2679110.327	7198609.452	1452737.16	5872482.91	2098671.713	3389527.052	1644364.381	1232972.836	747163.4984	536850.5166	421705.4345	481880.3137	653129.3411	7489119.284	15480419.52	11625215.14	758740.3747	977026.0431	14976755.78	11389655.17	24729426.45	10773732.91	26847690.41	6210586.946	11576218.28	780303.4486	857215.4756	889338.3361	731448.0852	700445.4032	371581.0239	687434.0297	777282.7931	1311319.436	1381176.698	1654457.395	1394514.515	7866701.106	8143413.337	15407283.46	4528872.31	8771972.112	27841085.99
Tranexamic Acid	5717919.497	7720098.886	8102686.998	3385304.267	19112205.44	11911429.75	18789553.43	20047849.41	16306092.47	15527393.11	15934579.94	15751630.9	2490932.412	33581701.3	2740245.841	3062848.171	34704182.8	11144975.78	6610049.447	33925189.64	32787595.54	4841719.517	13869057.86	19262374.05	13209090.74	16658358.4	16220525.57	5900382.453	14102308.59	40013099.94	23642944.24	39191611.15	33626685.93	7309525.338	22551483.37	43304809.07	8242794.51	5190930.089	3262975.881	6753847.346	1816509.934	4619256.777	3977881.495	10610197.3	4474680.138	9117620.953	7024631.895	1139650.012	13576025.63	6881093.442	15262990.71	15245804.19	7144332.896	8717004.95	29031211.57	26790929.17	16260861.39	10462317.59	15140833.55	33609469
trans-2-Dodecenoylcarnitine	15059925.62	19654542.95	6022776.592	3845035.072	4430818.763	12759049.53	5768184.194	6548423.812	1663396.623	1438619.668	6673258.513	4520516.251	1446791.166	4767192.226	931526.3688	1694693.711	11405508.27	34552257.85	27091663.64	7273623.074	29502530.45	13677245.63	20532452.12	9221233.299	1595048.844	1988440.274	1548697.257	506282.7244	3066398.763	7458188.353	3183875.509	704987.6005	2590226.184	5948440.879	23535996.53	780511.1592	2120896.602	5059405.551	3344139.464	1833234.211	4159112.16	3268923.12	976816.6984	2204916.361	1330438.234	1822655.964	1636888.358	617396.5865	2728331.69	3990336.682	4763513.17	1737589.906	6555971.904	9381112.81	3926479.945	3186793.01	1660045.025	3348560.233	3215559.04	2853759.087
trans-Hexadec-2-enoyl carnitine	254225156	89755100.14	92309981.57	79358027.14	49488880.19	201768004.3	150401978	205222368.6	45463843.55	39274918.09	215194680.5	38233991.76	42850897.91	74964029.62	28792184.06	37773839.25	134053947.2	232253348.6	124855269.6	31946256.97	188379875.1	72616489.88	128313957.9	79468148.97	1420613.537	1624635.374	4296307.209	1715298.005	6063337.271	4393713.681	12480591.95	6157722.296	28807985.67	26664642.89	90730085.07	7948263.347	13634668.31	43265587.92	24443599.73	16627132.02	33926601.19	28855423.47	962651.0304	11740253.85	3553447.503	5331552.421	3662313.336	1957776.165	12247172.46	22057999.21	30233336.63	16702558.57	36653033.31	34311082.91	36202459.26	34915622.83	16105499.11	32807264.05	28742761.83	30105627.22
Traumatic acid	117581140.9	18226991.86	38934337.39	9869767.635	9531881.909	27145619.66	79778914.38	32594332.58	6674868.552	5777789.367	36744904.83	8037918.115	6435855.314	7339928.398	8370203.642	8868263.581	29398272.65	10399896.9	6133328.424	4653310.32	21914975.77	5172568.114	12444855.96	15083010.69	4885816.474	4725843.002	1413405.989	1031010.603	2498833.945	1491432.154	7820759.953	2816959.117	13259105.28	2653621.041	4641942.517	9243421.87	3325939.161	6624474.58	7070398.636	3510144.394	4772050.937	4284451.061	2472454.828	1601922.301	1006688.688	1588087.908	3085250.703	1197830.63	4181594.497	6363814.96	4769306.111	11266433.22	8217883.265	9510985.682	6379981.529	9236284.839	6218271.779	12614792.33	6641284.377	16739359.87
Traumatin	7772604.669	5403419.74	3126418.258	1914539.107	1444524.056	3778381.041	3960832.434	1726062.823	2613338.306	2506499.601	2031687.827	2797997.981	1265439.169	1383763.23	1863503.602	1617381.52	1871160.685	1822190.771	1769768.495	2031613.652	2784167.231	1113658.869	1745864.482	2126091.412	2843731.213	2738685.149	831338.0225	350644.7407	519464.6774	3125771.511	1236808.317	1580651.684	1816905.938	2949048.439	2333176.407	1935990.858	1440108.625	1468477.331	983338.3116	1546405.487	769412.9411	421850.8237	2073202.302	1287065.478	653732.5424	1765348.874	2452439.497	1200160.586	1907579.186	2060353.573	1185992.929	1805236.159	3743737.593	3626896.058	2595239.406	1748599.132	2319578.772	3210294.533	2298557.145	3713557.789
Trepibutone	3769824.675	652410.9355	372061.8518	526608.4365	267754.7972	847937.113	487716.8782	558809.1615	73168.85074	69684.73495	811395.2633	463536.9515	69420.60592	102156.1648	85693.57726	112003.5219	562548.8786	560531.4676	145504.0617	81519.26271	518884.4487	73664.42516	314558.613	365317.282	241095.1957	234501.4513	75376.58541	95044.2371	188816.9816	142584.0295	78598.85873	146733.058	201188.3875	56377.72985	524687.0849	200662.4388	52423.1903	60297.90845	68303.20635	204090.5895	138085.8295	59032.36393	63420.78381	215233.741	53866.66833	89177.51481	83226.91502	42912.77221	96729.0666	298476.7957	358526.2013	205386.2688	358253.9226	430755.2603	110969.9278	221114.0495	63753.27364	80494.44002	64654.74693	143763.7023
Triacetin	5391098.634	3913876.096	4289823.455	4987765.873	8272235.09	4561819.735	7702356.849	2486969.448	5183417.038	3530813.424	5410360.717	7280060.693	3672881.822	2826825.072	6380378.19	7565677.737	4475763.727	4834378.884	5171059.136	5069616.017	3927852.334	2323120.883	4296418.659	3120644.022	18379333.01	8871336.274	3923929.345	1671458.997	750301.8684	5803329.273	4491177.816	6856341.921	7918732.076	6982965.328	6756792.779	6022883.488	1325794.474	5382260.492	3484577.147	8819347.712	2474646.378	1812519.867	11000071.53	10579827.97	4527229.603	10330299.79	8825251.387	2628683.697	4156055.018	3502218.789	5454038.696	5432686.096	4056899.255	6372059.06	7035743.363	10829598.59	3436144.283	5290197.544	4995730.997	8335298.742
Tridecanedioic acid	16081216.04	3141636.771	4998235.124	3407352.61	3237525.351	4514083.819	6361194.667	6423407.457	5604178.108	5770026.859	6868053.798	4253977.065	3436245.193	5245136.225	3478517.278	4332634.518	6464777.485	4626740.739	4240867.439	3119069.05	6590676.591	2278870.935	3777518.258	6192738.94	4216562.837	2648473.176	2710459.577	1501514.751	1340209.839	2558221.365	4444835.404	3904654.268	7131942.708	1777911.174	2685753.566	5213818.202	3366322.431	4986358.753	5214098.115	3903438.101	3961482.048	2935896.002	3251906.021	3067986.5	2495377.411	2551498.404	3329532.588	1249018.252	2170289.648	2963191.746	2511249.617	2760513.097	3813117.349	4051555.12	5737300.012	5813193.345	3674080.102	3640249.589	5746079.807	5513344.44
Tridecanoylglycine	1407696.234	1068935.912	1297977.158	1800998.653	1699601.263	1244047.543	1298967.95	1017239.183	1146935.178	1484709.267	1343464.542	1072998.252	1415206.588	1452817.821	2012535.029	1311177.175	996630.7905	904099.5796	1409310.657	1494563.768	1285981.747	1605309.153	1148380.906	1495050.056	1677595.496	3869463.556	826966.2781	680247.4157	820879.4264	1186726.752	977636.5823	1610481.351	18288272.26	1547110.044	1065307.221	1181501.344	1131267.321	1058842.057	2977251.178	1468367.426	1203071.321	975840.1238	1222928.217	1252448.02	1146534.547	1403039.536	1544030.637	1149623.668	898645.7059	1383651.199	1583946.824	974337.1202	1677686.753	1001373.75	1657448.329	2456879.461	1286205.198	1180985.127	2166244.662	1446678.258
Triethyl citrate	15569838.11	14189567.3	11661561.35	16657407.16	23567059.38	18603850.44	23014949.54	8562410.156	13907165.37	14695260.08	23153109.98	22757633.91	16416942.57	16404978.95	20300195.56	23419036.33	19191494.42	16202989.98	17774145.18	15545611.08	16839472.79	10591951.99	13613384.66	13017454.65	38355252.57	21966211.66	9377141.606	7823072.48	6196269.594	14660051.42	16620001.76	17690509.19	28831215.43	16380246.57	26001185.92	21873388.32	1519953.581	14759919.83	12021116.76	25642010.45	9452978.439	9879472.056	15304791.43	24332801.74	9102734.434	19627047.63	17144522.28	5887102.625	12974140.45	11695075.51	25728928.05	16954367.63	11867446.56	16441775.41	21101581.5	27983801.97	12625548.06	18699092.29	14861380.11	18082998.75
Trifluoroacetic acid	468006228.8	484498512.1	453818008.8	478193814.5	484040565.3	484526131.2	474746263.9	494466711.4	501518798.1	488504910.4	485537448	493743257.3	452067617.8	477482130.8	445659536.3	482851260.1	459709675.1	468443908.3	463620666.6	479091355.4	479806059.2	456235895.9	460523406.4	462786216.1	410295327.1	320801749.1	324841164.7	237287175.6	72500127.26	472216531.4	487480554.4	503139790.7	487116230.6	508137220.1	491258426.2	444179845.2	504524720.6	507213290.7	476764257	515734052.6	499961348.5	504510924.3	507382594.9	512735544	474042127.7	521645054.7	517890687.6	499823107	475606746.9	451968550.4	479523878.9	431638125.4	430390832.5	474575161.7	469000406.1	453090131.2	472068373.1	477958076.2	471617938	429613704.6
Trimethadione	2500539.821	19888772.08	7018738.843	10678879.11	34290408.69	11504073.08	9138820.045	2840700.737	13146358.47	12173818.84	2907147.354	8553430.46	22977550.01	39487463.69	14590842.23	17090639.64	18508923.56	12628265.36	1972830.212	26134478.78	8726904.3	4629071.025	5436903.42	23472704.54	5978352.658	7799451.026	3448499.254	9954098.945	10847397.1	9924052.648	6763952.343	13449318.09	9829568.509	8483312.07	7127820.244	8668134.646	27347936.16	9960997.427	10028387.94	16817804.37	11306822.17	11187524.02	7455692.35	30634492.95	14695012.86	15027907.74	9408997.529	5154102.384	18724497.65	16330719.12	25845502.68	15146739.48	16759478.24	20515476.49	3566374.398	3735881.92	5683060.539	6240379.604	8235864.079	5311556.002
Tryptophol	2290194.159	701055.1235	2688174.907	917926.9845	4734241.169	1682415.652	878367.9666	1211786.787	842572.0438	675208.4231	1399324.568	1975012.916	1555112.19	2827600.227	2490794.779	2256703.25	350622.1701	72959.29039	845075.9574	183821.9335	213348.5591	312878.5245	474364.8123	114702.6331	137929.8856	311435.9507	97878.59898	137573.8056	251431.8556	401331.8748	332212.2382	442964.3933	559473.3782	684801.3739	625859.6467	1554254.544	2517610.251	1910399.865	1113615.631	880774.0122	820814.327	395660.3583	159267.9665	118166.425	161232.9785	330748.3477	606910.7466	58318.42612	3172074.312	2541341.707	2502381.995	4243706.122	2225680.368	4015666.179	831383.2421	811363.4443	835511.0091	1471370.672	1151030.82	2242934.587
tyr-glu	41796045.71	16522956.81	40303113.79	8528828.937	52215068.18	28949613.32	29530974.29	18214935.08	15757316.9	14096808.25	25390982.54	13879213.38	43570511.03	9323510.726	96693118.89	101212937.7	12240506.69	8856168.326	31735648.01	33074280.43	18808888.21	13950813.57	22119586.14	5285525.519	68997332.59	62466902.5	24252478.36	9524077.545	12450812.2	40790735	15741287.7	34211985	23736717.25	19164106.9	19252396.41	32959571.1	73287252.48	37461248.66	29880349.83	49864340.83	20444156.64	27905443.73	55754060.4	34841997.92	22460344.8	31692356.36	44757349.28	12328289.15	48610453.26	38532240.82	27674057.85	67715823.53	55621725.72	62936542.14	38843348.17	40182650.66	24569223.83	33411084.15	35756967.68	43362231.15
Ubiquinone-2	6316172.981	893413.0983	2725907.585	1017327.306	109444.3387	1043115.832	472007.4564	481631.9592	105964.6232	80834.08999	446035.8554	1056032.026	82831.95361	81964.31251	88181.84543	82155.46742	363529.3505	523718.0054	137547.3386	87218.82425	1662945.904	75436.63109	548072.4114	1419279.204	154603.0668	133509.6761	96426.99824	102846.4585	125085.7674	77324.54245	74142.7954	76199.57789	86340.22392	91165.06333	87242.46793	95767.88579	92308.99625	102142.8412	87269.37225	101595.1868	79712.5748	68179.84325	92082.49121	86853.14559	70138.69836	102729.521	117069.7325	65615.64937	101189.8239	81036.56955	95702.79114	98070.57309	92962.70629	90671.95901	95843.01898	111192.4917	86912.36959	300369.8412	95514.23963	321693.15
Uracil	23094242.21	30121383.77	31922483.18	23650906.75	43129443.37	22492783.9	57966095.9	24122207.72	53241397.61	36558994.51	31199696.52	6962160.331	50090161.81	49601546.2	59606581.02	113648458.6	41188411.99	29143322.48	57117896.31	102931865.7	56757837.97	43615066.29	46838382.4	30918452.67	12384570.19	11316728.48	7955831.169	5425407.881	3241294.142	15139166.37	63669045.78	31846535.48	57883346.84	26048460.06	38882635.87	33077332.13	3970822.128	5006404.215	10624026.01	3903413.955	10457589.01	5556901.118	10530708.14	8697966.834	14613126.34	13946500.79	11148801.37	5138553.153	70010310.44	72009201.67	19546623.47	31444780.02	103410300.1	103983754.4	56601991.35	89767628.65	80471930.28	46048701	107814861.7	54836548.3
Uric acid	100759643.7	206626229.8	225141728.3	167476667.4	209843990.8	123287799.9	434115076.1	169392207.6	202238358.5	220306213.7	143270909	78207856.32	237405247.8	154277196.4	301549412	330849341.1	154368005.2	187267158.2	199086026.8	392326480.7	215926161.2	127997356.5	208244534.3	159071884.4	110013521.8	95409992.49	41151346.18	21470100.61	20752754.48	113621359.9	133181505	254830578.2	230755093.4	135164978.7	65765966.11	134511633	91663753.22	100697660.9	75318073.01	85258130.88	70242478.63	62508359.27	111565292.2	72205969.35	51685922.13	100259241.4	87759187.9	25085898.78	358980122.4	340879095.7	215632988	417069262.7	394468162.7	409913657.7	206309273.5	250686242.9	450107804.6	558380229.1	422665942.3	245802513.8
Uridine	105851443.2	93780619.04	80234620.66	93471750.74	109372566.9	74898747.13	210878379	88718086.53	228302614.1	138238597.6	97181905.12	25247395.48	143558660.7	118850160.9	172061250.4	177182006.4	129490816.6	86916424.64	189961752.7	267913229.3	71697594.24	101049265.9	94582394.2	105512295.9	69755698.56	56259861.27	43471532.19	24921789.62	8607455.317	57946795.09	152622802.2	109869720.8	181238856.6	84859115.58	88478076.84	94255320.26	20457198.94	25488897.51	35057800.93	21050949.44	37980641.8	18760003.75	59590409.28	29302091.67	37033589.67	55261704.08	68175900.98	19677831.78	214324540.8	184438070.9	60753862.96	92405006.95	357684910.8	288599238.1	166813713.8	253343018.5	246930239.8	129665555.2	299725496.1	165789296.8
Valeroidine	100407206.4	69320373.93	32464934.26	18215260.96	4000622.071	36506347.31	12203957.33	11046301.67	5389834.169	4744350.429	11984169.84	21905706.78	2028515.438	9794538.401	2818328.752	3253818.346	12901140.34	34133042.87	23554861.56	10612917.89	81212873.51	19989159.51	42288802.53	29255221.23	1389242.666	3062780.603	2800626.719	1152001.956	3325893.342	2534857.659	2203002.271	1133697.394	3155634.058	15675626.63	9604424.707	3390319.21	1969640.12	2755111.582	2308853.241	2369988.853	3684600.571	2636102.595	4023704.902	11131032.99	3660823.778	6013130.273	10561379.52	1911022.699	2264346.609	4231184.319	10424720.49	1462449.134	8017037.971	8962909.285	2505325.443	2545249.101	759115.9473	2841331.954	3060344.35	4271487.998
val-glu	62396368.2	39241319.29	80154003.54	16979241.4	128338482.7	54740493.95	42346598.51	24370861.59	24787844.11	22063019.49	34388269.24	24836995.12	62990858.67	22039370.51	125057117	143882197.9	54136406.65	27423989.5	49507796.58	55290870.61	32234582.87	23831453.54	34273473.98	9168129.823	44342416.24	32253192.02	28744708.8	11534886.3	10047073.56	37224705.01	44893294.81	84843288.71	133877350.2	29912667.59	24598286.33	114575835.3	117361048.1	66228403.93	66127399.21	78349316	39143560.36	58511548.33	64165849.34	50635635.62	27115302.25	41193226.8	60752622.8	19745997.66	49501885.91	50074645.48	38683995.58	71628607.05	69216488.35	65882877.77	88508552.52	82424603.86	46624490.26	42195930.08	100746137.7	101515793.1
Valproic acid glucuronide	3455079.128	2452717.35	4705772.43	2359020.228	7522398.874	5765047.311	16056180.24	9021287.686	9691248.188	7657672.518	11257341.01	3492220.333	7807356.464	29994470.12	9238545.996	12165416.38	54092803.98	5681299.026	4854011.196	4677034.966	5205445.083	4197373.079	5702580.895	4038262.198	5882940.813	3117048.716	1768098.352	1217200.248	1839478.575	4506956.037	11394064.19	7357503.682	5919730.252	4444937.331	4974039.981	23729890.09	4652491.894	7857656.401	8295491.167	6641032.678	4909237.543	5205103.663	2927410.808	4750571.353	2178051.687	3585262.304	2925610.525	1935463.777	3534932.659	3380698.457	3502906.009	3593255.608	3428516.063	3294306.125	11301918.68	14256796.72	7732939.48	4902720.027	8419374.615	9483272.733
Vigabatrin	66705762.17	71888388.71	62239799.51	62696800.68	75290920.5	58062198.56	52828900.95	29689943.62	58217781.25	35771469.61	41405325.12	28140311.01	60141337.1	56825781.75	74359891.18	71176599.84	32216546.12	41129745.28	47251793.9	65150912.54	42324007.89	22111488.41	36103045.48	33043842.58	20841528.85	17760884.26	22067890.6	50650794.05	51691982.57	31570438.57	30885999.71	40683546.59	43047553.02	24542298.49	18637485.59	54807757.79	36176462.1	34453480.14	38385456.57	32901415.08	23613571.63	18455370.74	49682786.56	28635926.18	23838560.06	28920550.96	48673107.12	15824077.43	37376328.39	50112421.35	41582876.78	72379893.99	57314495.94	64878748.23	39731062.66	51444333.47	42900089.13	45251303.17	30315912.9	69105019.98
Xanthine	990724.6312	1499124.648	2751710.735	924906.6514	1382917.249	1140337.12	1169213.762	878758.5928	1166974.459	1071744.819	887590.9065	1012483.403	1126859.705	1290123.459	3939000.509	6878381.358	4592939.77	1127255.842	15291967.03	29050329.81	1470014.282	778615.231	9265239.18	929278.0329	870084.1836	834707.5659	785480.2225	619235.665	624738.9986	1674654.661	8041115.054	1018985.359	9055029.7	1626203.316	3092529.74	928537.6434	1306145.612	10170481.26	843092.5995	4970588.797	818210.0775	872642.7895	4767681.732	5612294.934	769784.8893	6683445.794	15590721.28	579855.8226	15784133.94	2052565.316	1152690.757	5233845.411	21587114.5	22118716.83	19257911.56	28848430.14	3159975.477	4397826.688	44658497.62	7344174.847
Xanthurenic acid	3565717.009	3149805.166	14056378.72	2503949.857	12808778.06	4016605.323	4418773.256	3203651.747	10948980.53	8271335.321	3291439.01	1478626.211	8354982.578	26213496.01	22067050.64	22401741.11	19858486.57	2714429.898	6092041.758	6817439.126	2574368.289	3700866.775	4580180.968	1712863.522	3960618.043	3021104.046	5008307.798	943188.8229	1135582.377	6274080.806	6810567.841	6051930.787	6318534.195	2208842.245	2233563.518	26165679.41	9590479.724	13567856.35	12286847.83	14111230.31	4730947.216	4729783.658	10501479.79	4203007.87	2070896.714	4503670.928	9693160.989	2887040.537	13454180.58	15341805.77	13233018.45	18148773.1	22984563.06	21046721.5	6262556.839	9047819.163	13066696.88	16561186.03	11917937.54	21115508.55
xi-8-Hydroxyhexadecanedioic acid	17021846.65	1568684.53	2143641.845	1076045.833	221296.2663	1866516.25	962921.8274	581186.5998	234283.7436	230261.4072	877093.1082	2043687.711	207435.953	103059.3685	423647.3442	559196.6334	282686.951	510711.0398	534835.6466	401966.9617	932642.9631	242736.5631	458516.3797	1020549.994	6014458.117	4845686.449	524423.9694	252042.9074	254471.9335	431771.538	61201.30008	117440.0608	167073.5633	245353.0911	311368.7836	258598.954	60608.10343	152924.2257	62830.95797	105312.9887	68282.56466	93516.57084	400587.7383	416336.7636	368622.9481	399625.5047	405546.5107	143917.7952	359966.6669	1363184.141	179649.6635	2722843.702	2638028.814	1946576.01	98225.88852	410830.3116	650711.5572	2571862.846	291009.9339	1078691.136
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Human Metabolome Database	KEGG	InChIKey	Molecular Weight	RT [min]	mzCloud Best Match	mzCloud Library Match: Reference	MS2
Phenotype 1	1	1	1	1	1	1	1	1
Phenotype 2	2	2	2	2	2	2	2	2
(+)-Calycanthine	HMDB0029561	C10573	XSYCDVWYEVUDKQ-UHFFFAOYSA-N	346.21457	8.231		No matches found	No MS2
(±)-Furaneol	HMDB0040594		INAXVXBDKKUCGI-UHFFFAOYSA-N	128.04736	2.654		No matches found	No MS2
(2S)-2-[(2-Methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid			VUAFHZCUKUDDBC-SCSAIBSYSA-N	223.0342	6.035		No matches found	DDA for preferred ion
(9S,10S)-9,10-dihydroxyoctadecanoate	HMDB0059633	C15988	VACHUYIREGFMSP-IRXDYDNUSA-N	316.2621	9.74		No matches found	No MS2
(Hydroxyethyl)methacrylate			WOBHKFSMXKNTIM-UHFFFAOYSA-N	130.06341	5.997		No matches found	DDA for preferred ion
(R)-3-Hydroxy myristic acid			ATRNZOYKSNPPBF-CYBMUJFWSA-N	244.2044	10.209	84.7	Multiple matches found	DDA for preferred ion
(R)-3-hydroxybutyrylcarnitine	HMDB0062735		UEFRDQSMQXDWTO-YGPZHTELSA-N	247.14205	1.946		No matches found	No MS2
(R)-3-Hydroxydecanoic acid	HMDB0010725		FYSSBMZUBSBFJL-SECBINFHSA-N	188.1418	8.593	82	Multiple matches found	DDA for preferred ion
(S)-9-Hydroxy-10-undecenoic acid	HMDB0032662		CJUFNYIRKDOQMC-UHFFFAOYSA-N	200.14181	9.026		No matches found	DDA for preferred ion
[6]-Gingerdione	HMDB0039275	C10459	KMNVXQHNIWUUSE-UHFFFAOYSA-N	292.16849	8.977		No matches found	No MS2
1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine	HMDB0010407		HTZINLFNXLXRBC-CQLBIITFSA-N	479.3372	10.269		No matches found	No MS2
1,5-Anhydrosorbitol	HMDB0002712		MPCAJMNYNOGXPB-SLPGGIOYSA-N	164.06869	3.31		No matches found	DDA for preferred ion
10(S)-HPODE	HMDB0006940	C14827 	JGUNZIWGNMQSBM-ZJHFMPGASA-N	312.23109	9.918	64.7	Single match found	DDA for preferred ion
10-HDA			QHBZHVUGQROELI-SOFGYWHQSA-N	186.12613	8.541	80.7	Single match found	DDA for preferred ion
11,12-Epoxyeicosatrienoic acid	HMDB0004673		DXOYQVHGIODESM-KROJNAHFSA-N	320.2359	10.273	87.1	Multiple matches found	DDA for preferred ion
11-Aminoundecanoic acid		C19325	GUOSQNAUYHMCRU-UHFFFAOYSA-N	201.17308	1.824		No matches found	No MS2
11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol	HMDB0062770		YOVRGSHRZRJTLZ-UHFFFAOYSA-N	344.19967	9.717		No matches found	No MS2
12-Hydroxydodecanoic acid	HMDB0002059	C08317	ZDHCZVWCTKTBRY-UHFFFAOYSA-N	216.173	9.441	65	Single match found	DDA for preferred ion
12-Hydroxystearic acid	HMDB0061706		ULQISTXYYBZJSJ-UHFFFAOYSA-N	300.26734	11.728		No matches found	DDA for preferred ion
13-HODE	HMDB0004667	C14762	HNICUWMFWZBIFP-IRQZEAMPSA-N	296.23517	9.378		No matches found	No MS2
15-HETE	HMDB0003876	C04742 	JSFATNQSLKRBCI-VAEKSGALSA-N	320.23603	10.691		No matches found	No MS2
19,20-DiHDPA	HMDB0010214		FFXKPSNQCPNORO-MBYQGORISA-N	362.2467	9.519	91.2	Multiple matches found	DDA for preferred ion
1-Arachidonoyl-sn-glycero-3-phosphocholine	HMDB0010395		LAXQYRRMGGEGOH-JXRLJXCWSA-N	543.33247	9.747		No matches found	DDA for preferred ion
1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine	HMDB0011503		YVYMBNSKXOXSKW-HXUWFJFHSA-N	453.28599	9.968		No matches found	DDA for preferred ion
1-Methylhistamine	HMDB0000898	C05127	FHQDWPCFSJMNCT-UHFFFAOYSA-N	125.09542	0.784		No matches found	No MS2
1-Octadecanoyl-sn-glycero-3-phosphoethanolamine	HMDB0011130		BBYWOYAFBUOUFP-JOCHJYFZSA-N	481.31878	10.026		No matches found	DDA for preferred ion
1-Phenyl-1-pentanone	HMDB0031208		XKGLSKVNOSHTAD-UHFFFAOYSA-N	162.10449	8.561		No matches found	DDA for preferred ion
2-((4-Nitrophenoxy)methyl)oxirane			FPIGOBKNDYAZTP-UHFFFAOYSA-N	195.05372	4.783		No matches found	No MS2
2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid			DZTHIGRZJZPRDV-UHFFFAOYSA-N	246.10085	6.703	87.8	Single match found	DDA for preferred ion
2,2'-Iminodipropanol		D08906	WCYGORCMAJDYJN-UHFFFAOYSA-N	133.11034	0.928		No matches found	No MS2
2,4,6-Octatriyn-1-ol	HMDB0030968		CDDRQTICNABTAT-UHFFFAOYSA-N	118.04194	2.046		No matches found	DDA for other ion
2,5-Furandicarboxylic acid	HMDB0004812	C20450	CHTHALBTIRVDBM-UHFFFAOYSA-N	156.00601	1.723		No matches found	No MS2
2,6-Di-tert-butyl-1,4-benzenediol	HMDB0040178		JFGVTUJBHHZRAB-UHFFFAOYSA-N	222.16202	7.64		No matches found	No MS2
2,7-Oxepanedione	HMDB0040732		JPSKCQCQZUGWNM-UHFFFAOYSA-N	128.0477	5.804		No matches found	DDA for preferred ion
235BBF3K97	HMDB0062447		FWNRILWHNGFAIN-OYUWDNMLSA-N	268.21909	11.614		No matches found	No MS2
2-Aminonaphthalene	HMDB0041802	C02227	JBIJLHTVPXGSAM-UHFFFAOYSA-N	143.0736	5.079		No matches found	No MS2
2-Deoxyhexopyranose			PMMURAAUARKVCB-UHFFFAOYSA-N	164.06792	4.419		No matches found	No MS2
2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid	HMDB0000755	C03672	JVGVDSSUAVXRDY-UHFFFAOYSA-N	182.0585	5.189	83.4	Single match found	DDA for preferred ion
2-Hydroxycaproic acid	HMDB0001624		NYHNVHGFPZAZGA-UHFFFAOYSA-N	132.079	6.158	92.8	Multiple matches found	DDA for preferred ion
2-Hydroxycinnamic acid	HMDB0002641	C01772	PMOWTIHVNWZYFI-AATRIKPKSA-N	164.04752	2.047	90.2	Multiple matches found	DDA for preferred ion
2-Hydroxyvaleric acid	HMDB0001863		JRHWHSJDIILJAT-UHFFFAOYSA-N	118.0633	4.922	88.4	Multiple matches found	DDA for preferred ion
2-Ketobutyric acid	HMDB0000005	C00109 	TYEYBOSBBBHJIV-UHFFFAOYSA-N	102.03188	0.942		No matches found	DDA for other ion
2-Methyl-5-nitroaniline			DSBIJCMXAIKKKI-UHFFFAOYSA-N	152.05865	2.715		No matches found	No MS2
2-Methylcitric acid	HMDB0000379		YNOXCRMFGMSKIJ-UHFFFAOYSA-N	206.04352	0.834		No matches found	No MS2
2-Methylthiazolidine	HMDB0031682		DQMLFUMEBNHPPB-UHFFFAOYSA-N	103.04557	1.543		No matches found	No MS2
2-Octanamidoacetic acid	HMDB0000832		SAVLIIGUQOSOEP-UHFFFAOYSA-N	201.13697	7.941		No matches found	DDA for preferred ion
2-Oleoyl-sn-glycero-3-phosphocholine	HMDB0062651		SULIDBRAXVDKBU-PTGWMXDISA-N	521.34835	10.226		No matches found	DDA for preferred ion
2-tert-Butyl-1,4-benzenediol	HMDB0032062		BGNXCDMCOKJUMV-UHFFFAOYSA-N	166.09944	6.224		No matches found	No MS2
3-(4-Methyl-3-pentenyl)thiophene	HMDB0038183		UAGFAMQTBLSQSU-UHFFFAOYSA-N	166.08217	4.068		No matches found	No MS2
3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl		C17360	KCAIYJDHLVYANU-VPLCAKHXSA-N	200.07987	1.921		No matches found	DDA for other ion
3, 5-Tetradecadiencarnitine	HMDB0013331		IXOHTRSFILEKHO-NKBLVAAJSA-N	367.27233	8.562		No matches found	No MS2
3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid	HMDB0038804		GLEVLJDDWXEYCO-UHFFFAOYSA-N	250.12111	9.912		No matches found	No MS2
3,4-Dihydroxybenzenesulfonic acid			LTPDITOEDOAWRU-UHFFFAOYSA-N	189.99419	5.108	84.9	Multiple matches found	DDA for preferred ion
3,4-Methyleneazelaic acid	HMDB0059744		DHNSTMIMQCKEPC-UHFFFAOYSA-N	212.10541	7.45		No matches found	DDA for preferred ion
3-Aminosalicylic acid	HMDB0001972		IQGMRVWUTCYCST-UHFFFAOYSA-N	153.04269	2.702	70.5	Multiple matches found	DDA for preferred ion
3-Dehydroquinic acid	HMDB0012710	C00944	WVMWZWGZRAXUBK-SYTVJDICSA-N	190.04837	2.096		No matches found	No MS2
3-Hydroxybenzoic acid	HMDB0002466	C00587	IJFXRHURBJZNAO-UHFFFAOYSA-N	138.03205	7.309	86.3	Multiple matches found	DDA for preferred ion
3-Hydroxybutyric acid	HMDB0000357	C01089	WHBMMWSBFZVSSR-UHFFFAOYSA-N	104.04759	2.202	93.3	Multiple matches found	DDA for preferred ion
3-Hydroxyhexadecadienoylcarnitine	HMDB0013335		CPHHQDCIGLXPCO-IMMUWJHFSA-N	411.29853	8.502		No matches found	No MS2
3-Hydroxyhexadecanoylcarnitine	HMDB0013336		XKAZIAFZAQAHHG-BPGUCPLFSA-N	415.32996	9.009		No matches found	No MS2
3-Hydroxysebacic acid	HMDB0000350		OQYZCCKCJQWHIE-UHFFFAOYSA-N	218.1159	6.3		No matches found	DDA for preferred ion
3-Hydroxysuberic acid	HMDB0000325		ARJZZFJXSNJKGR-UHFFFAOYSA-N	190.08468	5.094		No matches found	DDA for preferred ion
3-Hydroxytetradecanedioic acid	HMDB0000394		CEDZIURHISELSQ-UHFFFAOYSA-N	274.17897	7.017		No matches found	DDA for preferred ion
3-Hydroxytetradecanoyl carnitine	HMDB0061640		GFAZJTUXMHGTOC-UHFFFAOYSA-N	387.29854	8.545		No matches found	No MS2
3-hydroxytridecanoic acid	HMDB0061655		CWSNHZHHWHLJIM-UHFFFAOYSA-N	230.18869	10.105		No matches found	No MS2
3-Mercaptohexyl butyrate	HMDB0038948		TZNJKOLXWHXDAF-UHFFFAOYSA-N	204.11902	1.458		No matches found	No MS2
3-Methyladipic acid	HMDB0000555		SYEOWUNSTUDKGM-YFKPBYRVSA-N	160.07398	5.797	87.2	Multiple matches found	DDA for preferred ion
3-Methylglutarylcarnitine	HMDB0000552		HFCPFJNSBPQJDP-NXEZZACHSA-N	289.15263	4.362		No matches found	No MS2
3-Methylindole	HMDB0000466	C08313 	ZFRKQXVRDFCRJG-UHFFFAOYSA-N	131.0736	5.079		No matches found	No MS2
3-Methylsulfolene			FAYFWMOSHFCQPG-UHFFFAOYSA-N	132.0246	1.542		No matches found	DDA for preferred ion
3-oxo-C12-HSL			PHSRRHGYXQCRPU-AWEZNQCLSA-N	297.1949	8.957		No matches found	No MS2
3-oxopalmitic acid	HMDB0010733		ASICPMTWQSESKX-UHFFFAOYSA-N	270.22042	10.493		No matches found	DDA for preferred ion
3-Oxotetradecanoic acid	HMDB0010730		XLKOZYOVXNPWGT-UHFFFAOYSA-N	242.1889	9.891		No matches found	DDA for preferred ion
3-Pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile			DGMSKRCMDSDQKR-UHFFFAOYSA-N	212.0408	5.292	84	Single match found	DDA for preferred ion
3-Tert-Butyladipic acid			LHSCNQRBIIDZCB-UHFFFAOYSA-N	202.12108	6.228	66.1	Single match found	DDA for preferred ion
4-(Trimethylammonio)butanoate	HMDB0006831		JHPNVNIEXXLNTR-UHFFFAOYSA-N	145.11038	0.96		No matches found	No MS2
4-Aminobenzoic acid	HMDB0001392	C00568	ALYNCZNDIQEVRV-UHFFFAOYSA-N	137.04779	0.958		No matches found	No MS2
4-Guanidinobutanoic acid	HMDB0003464	C01035	TUHVEAJXIMEOSA-UHFFFAOYSA-N	145.08527	1.428		No matches found	No MS2
4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide	HMDB0059971		FZTBEBWSWJPSHQ-AHLSELSJSA-N	402.11749	4.608		No matches found	DDA for preferred ion
4-Hydroxybenzenesulfonic acid			FEPBITJSIHRMRT-UHFFFAOYSA-N	173.99908	5.575	86.4	Multiple matches found	DDA for preferred ion
4-Hydroxycinnamic acid	HMDB0002035	C00811	NGSWKAQJJWESNS-ZZXKWVIFSA-N	164.04756	4.689		No matches found	No MS2
4-Hydroxynonenal	HMDB0004362		JVJFIQYAHPMBBX-FNORWQNLSA-N	156.11549	7.242		No matches found	No MS2
4-Indolecarbaldehyde			JFDDFGLNZWNJTK-UHFFFAOYSA-N	145.053	7.025	77.7	Single match found	DDA for preferred ion
4-methoxy-3-(sulfooxy)benzoic acid	HMDB0140929		VSFFJSSUGMYRMP-UHFFFAOYSA-N	247.99982	5.082		No matches found	DDA for preferred ion
4-Methylene-2-oxoglutarate			OARCEFMISOKEKI-UHFFFAOYSA-N	158.02158	6.692		No matches found	No MS2
4'-N-desmethylolanzapine	HMDB0060959		FHPIXVHJEIZKJW-UHFFFAOYSA-N	298.12527	5.239		No matches found	DDA for preferred ion
4-Nitroaniline		C02126	TYMLOMAKGOJONV-UHFFFAOYSA-N	138.04301	0.984		No matches found	No MS2
5-Hydroxy-2-furoic acid	HMDB0059784		JVUTYZQGCHCOPB-UHFFFAOYSA-N	128.01103	1.732		No matches found	No MS2
5-Hydroxyindolepyruvate		C05646	HKNXPMPZYQXTDD-UHFFFAOYSA-N	219.05371	7.56		No matches found	DDA for preferred ion
5-Hydroxy-L-tryptophan	HMDB0000472	C00643	LDCYZAJDBXYCGN-UHFFFAOYSA-N	220.08489	2.624		No matches found	No MS2
5-Methylcytosine	HMDB0002894	C02376 	LRSASMSXMSNRBT-UHFFFAOYSA-N	125.05907	1.949		No matches found	No MS2
5-Sulfosalicylic acid	HMDB0011725	C16199	YCPXWRQRBFJBPZ-UHFFFAOYSA-N	217.98822	4.915		No matches found	No MS2
6-Hydroxyindoleacetic acid	HMDB0000763	C05635 	DUUGKQCEGZLZNO-UHFFFAOYSA-N	191.05875	6.209		No matches found	No MS2
6-Hydroxypentadecanedioic acid	HMDB0031885		PNEJUHLZEPRMHF-UHFFFAOYSA-N	288.19471	6.136		No matches found	No MS2
6-Methoxyquinoline			HFDLDPJYCIEXJP-UHFFFAOYSA-N	159.06851	3.348	69.2	Single match found	DDA for preferred ion
6-Oxo-pipecolinic acid	HMDB0061705		FZXCPFJMYOQZCA-UHFFFAOYSA-N	143.05863	3.857		No matches found	DDA for preferred ion
7-Mercaptoheptanoylthreonine		C16594	MZUIODFZFFPDDR-SCZZXKLOSA-N	263.11928	4.655		No matches found	DDA for preferred ion
8-hydroxy-deoxyguanosine	HMDB0003333		HCAJQHYUCKICQH-VPENINKCSA-N	283.09173	3.031		No matches found	No MS2
8-Hydroxyoctanoate	HMDB0061914		KDMSVYIHKLZKET-UHFFFAOYSA-N	160.11036	7.864		No matches found	No MS2
9-Decenoylcarnitine	HMDB0013205		GOOOCIIXFLVRAG-UHFFFAOYSA-N	313.22533	7.552		No matches found	No MS2
Acetaminophen	HMDB0001859		RZVAJINKPMORJF-UHFFFAOYSA-N	151.06091	0.803	61.4	Single match found	DDA for preferred ion
Acetophenone	HMDB0033910	C07113 	KWOLFJPFCHCOCG-UHFFFAOYSA-N	120.05763	2.014		No matches found	No MS2
Adenosine monophosphate	HMDB0000045	C00020 	UDMBCSSLTHHNCD-KQYNXXCUSA-N	347.06339	1.558	95.8	Multiple matches found	DDA for preferred ion
Adipic acid	HMDB0000448	C06104	WNLRTRBMVRJNCN-UHFFFAOYSA-N	146.05829	2.659	85.7	Multiple matches found	DDA for preferred ion
Alantolactone	HMDB0035906	C00262 	PXOYOCNNSUAQNS-UHFFFAOYSA-N	232.14649	8.815		No matches found	No MS2
Alanylglutamine	HMDB0028685		HJCMDXDYPOUFDY-WHFBIAKZSA-N	217.10637	1.917		No matches found	No MS2
Allantoin	HMDB0000462	C01551 	POJWUDADGALRAB-UHFFFAOYSA-N	158.04433	0.957		No matches found	DDA for preferred ion
Amidosulfonic acid	HMDB0034830		IIACRCGMVDHOTQ-UHFFFAOYSA-N	96.98348	0.728		No matches found	DDA for other ion
Aminoadipic acid	HMDB0000510		OYIFNHCXNCRBQI-UHFFFAOYSA-N	161.06897	1.796		No matches found	No MS2
Apronal			KSUUMAWCGDNLFK-UHFFFAOYSA-N	184.12134	4.817		No matches found	No MS2
Arabinosylhypoxanthine	HMDB0003040		UGQMRVRMYYASKQ-KBNQYOMWSA-N	268.08134	3.016		No matches found	DDA for preferred ion
Aspartyl-L-proline	HMDB0002335		UKGGPJNBONZZCM-WDSKDSINSA-N	230.09032	1.597		No matches found	No MS2
Aspartylphenylalanine	HMDB0000706		YZQCXOFQZKCETR-UWVGGRQHSA-N	280.10593	5.291		No matches found	No MS2
Asymmetric dimethylarginine	HMDB0001539	C03626	YDGMGEXADBMOMJ-LURJTMIESA-N	202.14302	1.123		No matches found	DDA for preferred ion
Avocadene 1-acetate	HMDB0031043		NLBYRERHXBTBBR-UHFFFAOYSA-N	328.26253	10.577		No matches found	No MS2
Azelaic acid	HMDB0000784	C08261	BDJRBEYXGGNYIS-UHFFFAOYSA-N	188.10542	6.963	90	Single match found	DDA for preferred ion
Bafetinib	HMDB0240206		ZGBAJMQHJDFTQJ-DEOSSOPVSA-N	576.25497	9.762		No matches found	No MS2
Baicalin			IKIIZLYTISPENI-ZFORQUDYSA-N	446.08606	6.544		No matches found	No MS2
Bardoxolone			TXGZJQLMVSIZEI-UQMAOPSPSA-N	491.30183	9.175		No matches found	No MS2
Benzaldehyde	HMDB0006115	C00261 	HUMNYLRZRPPJDN-UHFFFAOYSA-N	106.04191	4.074		No matches found	No MS2
Benzoic acid	HMDB0001870	C00539 	WPYMKLBDIGXBTP-UHFFFAOYSA-N	122.03683	2.044		No matches found	DDA for preferred ion
Betaine	HMDB0000043	C00719	KWIUHFFTVRNATP-UHFFFAOYSA-N	117.07898	0.989	90.1	Multiple matches found	DDA for preferred ion
Boc-Asn		C01410		232.10591	1.842		No matches found	No MS2
Butabarbital	HMDB0014382	C07827	ZRIHAIZYIMGOAB-UHFFFAOYSA-N	212.11614	2.006		No matches found	No MS2
Butopyronoxyl			OKIJSNGRQAOIGZ-UHFFFAOYSA-N	226.12116	7.835		No matches found	DDA for preferred ion
Butyl lactate	HMDB0040254		MRABAEUHTLLEML-UHFFFAOYSA-N	146.09469	7.166		No matches found	No MS2
Cannabidiolic acid			WVOLTBSCXRRQFR-DLBZAZTESA-N	358.21554	9.762	68.7	Single match found	DDA for preferred ion
Cerulenin	DL-Cerulenin		GVEZIHKRYBHEFX-GHMZBOCLSA-N	223.1215	8.081		No matches found	No MS2
Chlorpromazine	HMDB0014620	C06906	ZPEIMTDSQAKGNT-UHFFFAOYSA-N	318.0958	7.939	94.8	Single match found	DDA for preferred ion
Cholic acid	HMDB0000619	C00695 	BHQCQFFYRZLCQQ-OELDTZBJSA-N	408.28915	8.79	85.4	Multiple matches found	DDA for preferred ion
Cinnamoylglycine	HMDB0011621		YAADMLWHGMUGQL-VOTSOKGWSA-N	205.07432	6.94	80.3	Multiple matches found	DDA for preferred ion
cis-3-Hexenyl phenylacetate	HMDB0038281		FJKFIIYSBXHBCT-ARJAWSKDSA-N	218.13077	8.525		No matches found	No MS2
cis-4-Decenedioic acid	HMDB0000603		CXGDCGIPEJKSCK-IWQZZHSRSA-N	200.10545	7.224		No matches found	DDA for preferred ion
Citric acid	HMDB0000094	C00158	KRKNYBCHXYNGOX-UHFFFAOYSA-N	192.02756	1.69	94.4	Multiple matches found	DDA for preferred ion
Citrinin	HMDB0041857	C16765 	CQIUKKVOEOPUDV-IYSWYEEDSA-N	250.08486	7.181	73.4	Single match found	DDA for preferred ion
Coumarin	HMDB0001218	C05851	ZYGHJZDHTFUPRJ-UHFFFAOYSA-N	146.03685	2.046		No matches found	No MS2
Creatine	HMDB0000064	C00300	CVSVTCORWBXHQV-UHFFFAOYSA-N	131.06957	1.138	92.1	Single match found	DDA for preferred ion
Creatinine	HMDB0000562	C00791	DDRJAANPRJIHGJ-UHFFFAOYSA-N	113.059	0.944		No matches found	DDA for other ion
Cyclohexanecarboxylic acid	HMDB0031342	C09822 	NZNMSOFKMUBTKW-UHFFFAOYSA-N	128.08411	6.231		No matches found	DDA for preferred ion
Cycloserine	HMDB0014405	C08057 	DYDCUQKUCUHJBH-UWTATZPHSA-N	102.0431	0.729		No matches found	No MS2
Cytidine	HMDB0000089	C00475 	UHDGCWIWMRVCDJ-XVFCMESISA-N	243.0856	1.487		No matches found	No MS2
Cytosine	HMDB0000630	C00380	OPTASPLRGRRNAP-UHFFFAOYSA-N	111.04372	0.997		No matches found	No MS2
D-1,5-Anhydrofructose	HMDB0041561		OCLOLUFOLJIQDC-UHFFFAOYSA-N	162.0533	0.955		No matches found	DDA for preferred ion
D-2-Hydroxyglutaric acid	HMDB0000606	C01087	HWXBTNAVRSUOJR-GSVOUGTGSA-N	148.0375	1.745		No matches found	No MS2
Daidzein	HMDB0003312	C10208 	ZQSIJRDFPHDXIC-UHFFFAOYSA-N	254.05783	7.34		No matches found	No MS2
DEHYDROASCORBIC ACID			SBJKKFFYIZUCET-JLAZNSOCSA-N	174.01673	1.673		No matches found	No MS2
Demonomethylchlorpromazine	HMDB0061135		YHFXGBOUSIKGMZ-UHFFFAOYSA-N	304.08017	7.87		No matches found	No MS2
Dethiobiotin	HMDB0003581	C01909	AUTOLBMXDDTRRT-UHFFFAOYSA-N	214.13186	2.382		No matches found	No MS2
Diacetyl	HMDB0003407	C00741 	QSJXEFYPDANLFS-UHFFFAOYSA-N	86.03675	1.846		No matches found	No MS2
Dibutyl malate	HMDB0031696		PDSCSYLDRHAHOX-UHFFFAOYSA-N	246.14738	7.209		No matches found	DDA for preferred ion
Dibutyl phthalate	HMDB0033244	C14214	DOIRQSBPFJWKBE-UHFFFAOYSA-N	278.15256	9.886		No matches found	No MS2
DL-Arginine			ODKSFYDXXFIFQN-UHFFFAOYSA-N	174.11182	0.893	96.2	Multiple matches found	DDA for preferred ion
DL-Glutamate	HMDB0060475	C00302	WHUUTDBJXJRKMK-UHFFFAOYSA-N	147.05329	1.088		No matches found	No MS2
DL-Glutamine	HMDB0003423	C00819 	ZDXPYRJPNDTMRX-UHFFFAOYSA-N	146.06926	1.065	84.6	Multiple matches found	DDA for preferred ion
DL-Ornithine			AHLPHDHHMVZTML-UHFFFAOYSA-N	132.08996	0.767		No matches found	DDA for other ion
DL-TYROSINE			OUYCCCASQSFEME-UHFFFAOYSA-N	181.07404	2.011		No matches found	No MS2
D-Malic acid	HMDB0031518	C00497	BJEPYKJPYRNKOW-UWTATZPHSA-N	134.02193	1.039	94.6	Multiple matches found	DDA for preferred ion
D-Mannose	HMDB0000169	C00936 	WQZGKKKJIJFFOK-PQMKYFCFSA-N	180.06404	0.918	94.6	Multiple matches found	DDA for preferred ion
Docosahexaenoic acid	HMDB0002183	C06429	MBMBGCFOFBJSGT-KUBAVDMBSA-N	328.24128	11.289	83.8	Single match found	DDA for preferred ion
Dodecanedioic acid	HMDB0000623	C02678	TVIDDXQYHWJXFK-UHFFFAOYSA-N	230.15236	8.27	82	Multiple matches found	DDA for preferred ion
D-Phenyllactic acid	HMDB0000563		VOXXWSYKYCBWHO-UHFFFAOYSA-N	166.06337	6.573	87.1	Multiple matches found	DDA for preferred ion
D-Proline	HMDB0003411	C00763 	ONIBWKKTOPOVIA-SCSAIBSYSA-N	115.06338	0.968	90.1	Multiple matches found	DDA for preferred ion
Drostanolone propionate			NOTIQUSPUUHHEH-UXOVVSIBSA-N	360.26647	9.298		No matches found	No MS2
D-Tryptophan	HMDB0013609	C00525 	QIVBCDIJIAJPQS-SECBINFHSA-N	204.09029	5.078	96.8	Multiple matches found	DDA for preferred ion
Ecgonine	HMDB0006548	C10858	PHMBVCPLDPDESM-RLXKETGRSA-N	185.10551	6.888	69.7	Single match found	DDA for preferred ion
Ectoine			WQXNXVUDBPYKBA-YFKPBYRVSA-N	142.07443	0.975		No matches found	DDA for other ion
Eicosapentaenoic acid	HMDB0001999	C06428	JAZBEHYOTPTENJ-JLNKQSITSA-N	302.22436	10.272		No matches found	No MS2
Equol	HMDB0002209	C14131	ADFCQWZHKCXPAJ-GFCCVEGCSA-N	242.09446	7.911		No matches found	No MS2
Ethyl 4-ethoxybenzoate	HMDB0059898		HRAQMGWTPNOILP-UHFFFAOYSA-N	194.09433	9.624		No matches found	DDA for preferred ion
Ethyl glucuronide	HMDB0010325		IWJBVMJWSPZNJH-UQGZVRACSA-N	222.07427	4.636		No matches found	DDA for preferred ion
Ferulic acid 4-O-sulfate	HMDB0029200		PZPATWACAAOHTJ-HWKANZROSA-N	274.01577	5.857		No matches found	DDA for preferred ion
Fumaric acid	HMDB0000134	C00122	VZCYOOQTPOCHFL-OWOJBTEDSA-N	116.01127	1.934	89.1	Multiple matches found	DDA for preferred ion
Furcatin			HLTAEJNADMCLOV-LTRJMQNCSA-N	428.16672	11.308		No matches found	DDA for preferred ion
Furfural	HMDB0032914	C14279	HYBBIBNJHNGZAN-UHFFFAOYSA-N	96.02124	0.956		No matches found	DDA for other ion
Gaboxadol		C13693 D04282		140.05868	0.979		No matches found	No MS2
Galactitol	HMDB0000107	C01697	FBPFZTCFMRRESA-UHFFFAOYSA-N	182.07947	0.884		No matches found	No MS2
gamma-Glu-gln			JBFYFLXEJFQWMU-WDSKDSINSA-N	275.11187	0.965		No matches found	No MS2
Gibberellin A53	HMDB0036895	C06094	CZEMYYICWZPENF-VOLTXKGXSA-N	348.19467	10.795		No matches found	DDA for preferred ion
Ginkgoic acid			YXHVCZZLWZYHSA-FPLPWBNLSA-N	346.25178	10.746		No matches found	No MS2
Gluconic acid	HMDB0000625	C00257	RGHNJXZEOKUKBD-SQOUGZDYSA-N	196.05888	1.123	80.1	Multiple matches found	DDA for preferred ion
Glu-Gly	HMDB0028819		LSPKYLAFTPBWIL-BYPYZUCNSA-N	204.07462	0.966		No matches found	No MS2
Glutamylmethionine	HMDB0028825		SXGAGTVDWKQYCX-BQBZGAKWSA-N	278.09379	4.003		No matches found	No MS2
Glycerol	HMDB0000131	C00116	PEDCQBHIVMGVHV-UHFFFAOYSA-N	92.04738	0.975		No matches found	DDA for other ion
Glycerol 3-phosphate	HMDB0000126	C00093 	AWUCVROLDVIAJX-GSVOUGTGSA-N	172.01415	1.14		No matches found	DDA for other ion
Glycerophosphocholine	HMDB0000086	C00670	SUHOQUVVVLNYQR-MRVPVSSYSA-N	257.10292	0.903		No matches found	No MS2
Glycocholic acid	HMDB0000138	C01921 	RFDAIACWWDREDC-FRVQLJSFSA-N	465.31007	8.159	87.9	Single match found	DDA for preferred ion
Glycyl-L-leucine	HMDB0000759	C02155	DKEXFJVMVGETOO-LURJTMIESA-N	188.11626	1.467		No matches found	No MS2
Glycyl-Lysine	HMDB0028846		IKAIKUBBJHFNBZ-UHFFFAOYSA-N	203.12709	1.907		No matches found	No MS2
Glycylproline	HMDB0000721		KZNQNBZMBZJQJO-YFKPBYRVSA-N	172.0851	0.977		No matches found	No MS2
Glycyl-Threonine	HMDB0028851		OLIFSFOFKGKIRH-UHFFFAOYSA-N	176.07985	1.51		No matches found	DDA for preferred ion
Guaifenesin	HMDB0004998		HSRJKNPTNIJEKV-UHFFFAOYSA-N	198.08987	7.034		No matches found	DDA for preferred ion
Guanine	HMDB0000132	C00242	UYTPUPDQBNUYGX-UHFFFAOYSA-N	151.04952	3.018	74	Multiple matches found	DDA for preferred ion
Heptanoylcarnitine	HMDB0013238		VDPCTFWULDLKHT-UHFFFAOYSA-N	273.19425	6.89		No matches found	No MS2
Hexadecanedioic acid	HMDB0000672	C19615	QQHJDPROMQRDLA-UHFFFAOYSA-N	286.21529	9.64	85.7	Single match found	DDA for preferred ion
Hexadecanedioic acid mono-L-carnitine ester	HMDB0000712		UNHCPLSWMNPZTD-UHFFFAOYSA-N	429.3093	8.182		No matches found	DDA for preferred ion
Hexahomomethionine		C17233	XVGBKWQWYRNGDG-UHFFFAOYSA-N	233.14525	7.193		No matches found	No MS2
Hexanamide			ALBYIUDWACNRRB-UHFFFAOYSA-N	115.09975	0.966		No matches found	DDA for preferred ion
Hexanoylcarnitine	HMDB0000756		VVPRQWTYSNDTEA-LLVKDONJSA-N	259.17849	6.386		No matches found	No MS2
Hexanoylglycine	HMDB0000701		UPCKIPHSXMXJOX-UHFFFAOYSA-N	173.10562	6.604	88.7	Multiple matches found	DDA for preferred ion
Hippuric acid	HMDB0000714	C01586	QIAFMBKCNZACKA-UHFFFAOYSA-N	179.05864	5.871	92.4	Multiple matches found	DDA for preferred ion
Homocitrulline	HMDB0000679	C02427	XIGSAGMEBXLVJJ-YFKPBYRVSA-N	189.11142	0.949		No matches found	No MS2
Homovanillic acid	HMDB0000118	C05582	QRMZSPFSDQBLIX-UHFFFAOYSA-N	182.05817	4.688		No matches found	No MS2
Hydroxyacetylaminofluorene			SOKUIEGXJHVFDV-UHFFFAOYSA-N	239.09467	4.253		No matches found	No MS2
Hypoxanthine	HMDB0000157	C00262	FDGQSTZJBFJUBT-UHFFFAOYSA-N	136.03865	3.058	86.3	Multiple matches found	DDA for preferred ion
Imidazoleacetic acid	HMDB0002024	C02835	PRJKNHOMHKJCEJ-UHFFFAOYSA-N	126.04299	4.265		No matches found	DDA for preferred ion
Indole	HMDB0000738	C00463	SIKJAQJRHWYJAI-UHFFFAOYSA-N	117.0579	5.079		No matches found	No MS2
Indole-3-acetic acid			SEOVTRFCIGRIMH-UHFFFAOYSA-N	175.06356	7.177		No matches found	No MS2
Indole-3-acrylic acid			PLVPPLCLBIEYEA-AATRIKPKSA-N	187.06344	5.079	91.2	Multiple matches found	DDA for preferred ion
Indolelactic acid	HMDB0000671	C02043	XGILAAMKEQUXLS-JTQLQIEISA-N	205.07427	6.728	92	Multiple matches found	DDA for preferred ion
Inosinic acid	HMDB0000175	C00130 	GRSZFWQUAKGDAV-KQYNXXCUSA-N	348.0476	1.716	92.3	Single match found	DDA for preferred ion
Inulicin			QKVABRCMWRXFAF-HMTTWLPMSA-N	308.16347	9.269		No matches found	No MS2
Isobutyrylglycine	HMDB0000730		DCICDMMXFIELDF-UHFFFAOYSA-N	145.07424	4.105	86.2	Multiple matches found	DDA for preferred ion
Isotetrandrine	HMDB0030174	C17060 	WVTKBKWTSCPRNU-UHFFFAOYSA-N	622.30466	10.925		No matches found	DDA for other ion
Isovalerylglycine	HMDB0000678		ZRQXMKMBBMNNQC-UHFFFAOYSA-N	159.08993	5.662	87.9	Multiple matches found	DDA for preferred ion
Juliflorine			JOTBJXJGDRSICD-TWELVPRFSA-N	629.58601	0.911		No matches found	No MS2
Kynurenine		C01718	YGPSJZOEDVAXAB-UHFFFAOYSA-N	208.08488	3.888		No matches found	No MS2
L-Acetylcarnitine	HMDB0000201	C02571 	RDHQFKQIGNGIED-MRVPVSSYSA-N	203.11588	1.486	95.7	Single match found	DDA for preferred ion
L-Alanine	HMDB0000161	C00041 	QNAYBMKLOCPYGJ-REOHCLBHSA-N	89.04768	0.913		No matches found	DDA for other ion
L-Asparagine	HMDB0000168	C00152	DCXYFEDJOCDNAF-REOHCLBHSA-N	132.05357	1.416		No matches found	No MS2
Lauroyl diethanolamide	HMDB0032358		AOMUHOFOVNGZAN-UHFFFAOYSA-N	287.24617	7.421		No matches found	No MS2
Leucyl-Glutamate	HMDB0028928		NFNVDJGXRFEYTK-UHFFFAOYSA-N	260.13738	5.246		No matches found	DDA for preferred ion
Leucylproline	HMDB0011175		VTJUNIYRYIAIHF-IUCAKERBSA-N	228.14747	1.828		No matches found	No MS2
Leukotriene B4	HMDB0001085	C02165 	VNYSSYRCGWBHLG-AMOLWHMGSA-N	336.23124	9.192		No matches found	No MS2
Levocarnitine	HMDB0062496	C00318	PHIQHXFUZVPYII-ZCFIWIBFSA-N	161.10525	1.055	92.8	Multiple matches found	DDA for preferred ion
Lexibulin		D10073	MTJHLONVHHPNSI-IBGZPJMESA-N	434.24466	6.778		No matches found	No MS2
L-Histidine	HMDB0000177	C00135 	HNDVDQJCIGZPNO-YFKPBYRVSA-N	155.06962	0.835	68.6	Single match found	DDA for preferred ion
Linolenelaidic acid	HMDB0030964		DTOSIQBPPRVQHS-UHFFFAOYSA-N	278.2246	8.904		No matches found	No MS2
Linoleyl carnitine	HMDB0006469		MJLXQSQYKZWZCB-DQFWFXSYSA-N	423.33494	9.301		No matches found	No MS2
L-Isoleucine	HMDB0000172	C00407	AGPKZVBTJJNPAG-WHFBIAKZSA-N	131.09468	2.39	90	Multiple matches found	DDA for preferred ion
L-Lactic acid	HMDB0000190	C00186	JVTAAEKCZFNVCJ-REOHCLBHSA-N	90.03191	1.515	95.6	Multiple matches found	DDA for preferred ion
L-Leucine	HMDB0000687	C00123	ROHFNLRQFUQHCH-YFKPBYRVSA-N	131.09498	6.305		No matches found	No MS2
L-Methionine	HMDB0000696	C00073 	FFEARJCKVFRZRR-BYPYZUCNSA-N	149.05114	1.51	94.7	Multiple matches found	DDA for preferred ion
L-Norleucine	HMDB0001645	C01933	LRQKBLKVPFOOQJ-YFKPBYRVSA-N	131.09472	2.219	96.7	Multiple matches found	DDA for preferred ion
Lotaustralin	HMDB0033865	C08334	WEWBWVMTOYUPHH-UHFFFAOYSA-N	261.12135	1.855		No matches found	No MS2
L-Palmitoylcarnitine	HMDB0000222	C02990	XOMRRQXKHMYMOC-OAQYLSRUSA-N	399.335	9.451		No matches found	No MS2
L-Prolinamide		C19781	VLJNHYLEOZPXFW-BYPYZUCNSA-N	114.07939	0.776		No matches found	DDA for preferred ion
L-Serine	HMDB0000187	C00065 	MTCFGRXMJLQNBG-REOHCLBHSA-N	105.04263	1.066		No matches found	No MS2
L-Threonine	HMDB0000167	C00188	AYFVYJQAPQTCCC-GBXIJSLDSA-N	119.05829	1.071		No matches found	No MS2
L-Valine	HMDB0000883	C00183 	KZSNJWFQEVHDMF-BYPYZUCNSA-N	117.07897	1.376	94.7	Multiple matches found	DDA for preferred ion
Ly-290411	HMDB0060987		FPDIERBPQFAFSI-UHFFFAOYSA-N	328.13579	4.417		No matches found	No MS2
Lysine	HMDB0000182	C00047	KDXKERNSBIXSRK-YFKPBYRVSA-N	146.10563	0.771	92.2	Multiple matches found	DDA for preferred ion
LysoPC(16:1(9Z)/0:0)	HMDB0010383	C04230 	LFUDDCMNKWEORN-ZXEGGCGDSA-N	493.31715	9.528		No matches found	DDA for preferred ion
Malic acid	HMDB0000156	C00149 	BJEPYKJPYRNKOW-UHFFFAOYSA-N	134.02192	1.266	91.5	Multiple matches found	DDA for preferred ion
methadone-d9			USSIQXCVUWKGNF-MXOMHCEVSA-N	317.95602	0.806	86.3	No matches found	DDA for preferred ion
Metharbital	HMDB0014606		FWJKNZONDWOGMI-UHFFFAOYSA-N	198.10063	4.328		No matches found	No MS2
Methohexital	HMDB0014617	C07844	NZXKDOXHBHYTKP-UHFFFAOYSA-N	262.1317	5.733		No matches found	No MS2
Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate	HMDB0032796		ABFHVQPVDSMGNR-UHFFFAOYSA-N	254.11622	7.844		No matches found	DDA for preferred ion
Methylsuccinic acid	HMDB0001844		WXUAQHNMJWJLTG-VKHMYHEASA-N	132.04265	3.532	88.6	Multiple matches found	DDA for preferred ion
Mevalonic acid	HMDB0000227	C00418 	KJTLQQUUPVSXIM-UHFFFAOYSA-N	148.07395	2.187		No matches found	DDA for preferred ion
MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0)	HMDB0004666	C13856 	RCRCTBLIHCHWDZ-DOFZRALJSA-N	378.27816	9.299		No matches found	DDA for preferred ion
Midodrine	HMDB0014356	C07890	PTKSEFOSCHHMPD-UHFFFAOYSA-N	254.12645	4.791		No matches found	No MS2
Myristic acid	HMDB0000806	C06424	TUNFSRHWOTWDNC-UHFFFAOYSA-N	228.20968	9.042		No matches found	No MS2
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole	HMDB0003882	C04778	ZMRGXEJKZPRBPJ-SYQHCUMBSA-N	358.09119	4.683		No matches found	DDA for preferred ion
N1-Acetylspermidine	HMDB0001276	C00612 	MQTAVJHICJWXBR-UHFFFAOYSA-N	187.16859	0.884		No matches found	No MS2
N2-Acetylornithine	HMDB0003357	C00437	JRLGPAXAGHMNOL-LURJTMIESA-N	174.10064	0.985		No matches found	DDA for preferred ion
N4-Acetylcytidine	HMDB0005923		NIDVTARKFBZMOT-PEBGCTIMSA-N	285.09626	4.391		No matches found	No MS2
Nabilone	HMDB0014629		GECBBEABIDMGGL-RTBURBONSA-N	372.26661	8.79		No matches found	No MS2
N-Acetylglutamine	HMDB0006029		KSMRODHGGIIXDV-YFKPBYRVSA-N	188.07988	1.502		No matches found	No MS2
N-Acetyl-L-aspartic acid	HMDB0000812	C01042 	OTCCIMWXFLJLIA-BYPYZUCNSA-N	175.04855	1.535		No matches found	No MS2
N-Acetyl-L-glutamic acid	HMDB0001138	C00624 	RFMMMVDNIPUKGG-YFKPBYRVSA-N	189.06418	1.93		No matches found	No MS2
N-Acetyl-L-methionine	HMDB0011745	C02712 	XUYPXLNMDZIRQH-LURJTMIESA-N	191.06221	5.358		No matches found	DDA for preferred ion
N-Acetyl-L-phenylalanine	HMDB0000512	C03519	CBQJSKKFNMDLON-JTQLQIEISA-N	207.08992	6.786	63.6	Single match found	DDA for preferred ion
N-Acetyl-L-tyrosine	HMDB0000866	C01657	CAHKINHBCWCHCF-JTQLQIEISA-N	223.08495	5.316	90.7	Single match found	DDA for preferred ion
N-Acetylvanilalanine	HMDB0011716		UKDKTHYZLXZOSS-UHFFFAOYSA-N	253.09577	5.558		No matches found	DDA for preferred ion
N-Formyl-L-methionine	HMDB0001015	C03145 	PYUSHNKNPOHWEZ-YFKPBYRVSA-N	177.04625	4.449	80.4	Single match found	DDA for preferred ion
N-Gluconyl ethanolamine	HMDB0032293		DTMUKVUZNZJFNO-UHFFFAOYSA-N	239.10053	4.641		No matches found	DDA for preferred ion
Niacinamide	HMDB0001406	C00153 	DFPAKSUCGFBDDF-UHFFFAOYSA-N	122.04803	1.626	94.8	Single match found	DDA for preferred ion
N-Lauroylglycine	HMDB0013272		JWGGSJFIGIGFSQ-UHFFFAOYSA-N	257.19996	9.638		No matches found	No MS2
N-methyl-L-glutamic Acid	HMDB0062660	C01046	XLBVNMSMFQMKEY-BYPYZUCNSA-N	161.06889	0.967		Multiple matches found	DDA for preferred ion
N-Methylmescaline		C08310	OTXANOLOOUNVSR-UHFFFAOYSA-N	225.13657	6.478		No matches found	DDA for other ion
N-Stearoyl tyrosine	HMDB0062343		YKWCFTGLODSOSB-VWLOTQADSA-N	447.33491	9.295		No matches found	No MS2
N-Undecanoylglycine	HMDB0013286		HEUQYIQQCNOXOG-UHFFFAOYSA-N	243.18373	8.009		No matches found	DDA for preferred ion
O-heptadecanoylcarnitine	HMDB0006210		DWSFAVOTORHAAL-UHFFFAOYSA-N	413.35043	9.633		No matches found	No MS2
Olanzapine	HMDB0005012	C07322	KVWDHTXUZHCGIO-UHFFFAOYSA-N	312.14087	5.295	91.1	Single match found	DDA for preferred ion
olivetolic acid			SXFKFRRXJUJGSS-UHFFFAOYSA-N	224.10549	7.662		No matches found	DDA for preferred ion
o-Methoxyphenyl sulfate	HMDB0060013		AQTYXAPIHMXAAV-UHFFFAOYSA-N	204.00995	5.077		No matches found	DDA for preferred ion
Ophthalmic acid	HMDB0005765		JCMUOFQHZLPHQP-BQBZGAKWSA-N	289.12753	1.799		No matches found	No MS2
Oxidized glutathione	HMDB0003337	C00127 	YPZRWBKMTBYPTK-BJDJZHNGSA-N	612.15232	2.084	75.8	Multiple matches found	DDA for preferred ion
Oxoglutaric acid	HMDB0000208	C00026	KPGXRSRHYNQIFN-UHFFFAOYSA-N	146.02192	1.05		No matches found	DDA for preferred ion
Oxybuprocaine	HMDB0015029		CMHHMUWAYWTMGS-UHFFFAOYSA-N	308.21027	9.04		No matches found	No MS2
Palmitelaidic acid	HMDB0012328		SECPZKHBENQXJG-BQYQJAHWSA-N	254.22454	9.901		No matches found	No MS2
Palmitic acid	HMDB0000220	C00249 	IPCSVZSSVZVIGE-UHFFFAOYSA-N	256.24109	9.452		No matches found	No MS2
Pantothenic acid	HMDB0000210	C00864 	GHOKWGTUZJEAQD-ZETCQYMHSA-N	219.11089	4.557	92.3	Single match found	DDA for preferred ion
PD-128042			WAFNZAURAWBNDZ-UHFFFAOYSA-N	393.28813	8.799		No matches found	No MS2
Pentadecanoylcarnitine	HMDB0062517		MDDWQHVKSHTZTD-UHFFFAOYSA-N	385.31923	9.257		No matches found	No MS2
Pentahomomethionine		C17229	GYYOKOIBHIWNHE-UHFFFAOYSA-N	219.12948	6.707		No matches found	No MS2
Phe-glu			JXWLMUIXUXLIJR-QWRGUYRKSA-N	294.12199	5.512		No matches found	DDA for preferred ion
Phenobarbital	HMDB0015305	C07434	DDBREPKUVSBGFI-UHFFFAOYSA-N	232.08514	6.451		No matches found	DDA for preferred ion
Phenylacetylglycine	HMDB0000821	C05598 	UTYVDVLMYQPLQB-UHFFFAOYSA-N	193.07456	6.202	87.9	Multiple matches found	DDA for preferred ion
Phenylalanine	HMDB0000159	C00079	COLNVLDHVKWLRT-QMMMGPOBSA-N	165.07919	4.069	97.6	Multiple matches found	DDA for preferred ion
Phenylhydrazine			HKOOXMFOFWEVGF-UHFFFAOYSA-N	108.06884	0.765		No matches found	No MS2
Phosphoric acid	HMDB0002142	C00009	NBIIXXVUZAFLBC-UHFFFAOYSA-N	97.97709	1.114		No matches found	DDA for preferred ion
Phytosphingosine	HMDB0004610	C12144 	AERBNCYCJBRYDG-KSZLIROESA-N	317.29323	8.816		No matches found	DDA for preferred ion
Pipazethate	HMDB0015686		DTVJXCOMJLLMAK-UHFFFAOYSA-N	399.16188	6.45		No matches found	DDA for preferred ion
Pivagabine		D07342	SRPNQDXRVRCTNK-UHFFFAOYSA-N	187.12132	7.197		No matches found	DDA for preferred ion
Platelet-activating factor	HMDB0062195		HVAUUPRFYPCOCA-AREMUKBSSA-N	523.36418	10.911		No matches found	DDA for preferred ion
Porphobilinogen	HMDB0000245	C00931 	QSHWIQZFGQKFMA-UHFFFAOYSA-N	226.09553	4.497		No matches found	No MS2
Prohydrojasmon		C18538	IPDFPNNPBMREIF-CHWSQXEVSA-N	254.18892	9.854		No matches found	DDA for preferred ion
Proline	HMDB0000162	C00148	ONIBWKKTOPOVIA-BYPYZUCNSA-N	115.06338	1.146		No matches found	No MS2
Promazine	HMDB0014564	C07379	ZGUGWUXLJSTTMA-UHFFFAOYSA-N	284.13479	7.55	95.7	Multiple matches found	DDA for preferred ion
Promazine 5-sulfoxide	HMDB0013938		KSHDHDWHIWBNHA-UHFFFAOYSA-N	300.12989	6.304		No matches found	No MS2
Propionylcarnitine	HMDB0000824		UFAHZIUFPNSHSL-MRVPVSSYSA-N	217.13154	2.59	92.4	Single match found	DDA for preferred ion
Propylparaben	HMDB0032574		QELSKZZBTMNZEB-UHFFFAOYSA-N	180.07881	6.752		No matches found	No MS2
Purine	HMDB0001366	C15587	KDCGOANMDULRCW-UHFFFAOYSA-N	120.04234	1.677	63.8	Single match found	DDA for preferred ion
Pyridoxal 5'-phosphate	HMDB0001491	C00018 	NGVDGCNFYWLIFO-UHFFFAOYSA-N	247.02397	5.922		No matches found	No MS2
Pyrogallol		C01108	WQGWDDDVZFFDIG-UHFFFAOYSA-N	126.03197	5.237		No matches found	No MS2
Pyrogallol-2-O-glucuronide	HMDB0060017		SOHXEAWMMVSJFL-COGRHJPHSA-N	302.06409	4.279		No matches found	DDA for preferred ion
Pyrogallol-2-O-sulphate	HMDB0060018		XADBYTWTQXSBAF-UHFFFAOYSA-N	205.98895	5.108		No matches found	DDA for preferred ion
Pyroglutamic acid	HMDB0000267	C01879	ODHCTXKNWHHXJC-VKHMYHEASA-N	129.04269	1.065		No matches found	DDA for preferred ion
Pyruvic acid	HMDB0000243	C00022 	LCTONWCANYUPML-UHFFFAOYSA-N	88.01633	1.316	92.4	Single match found	DDA for preferred ion
Retinyl beta-glucuronide	HMDB0010340		IYHVRAMISWFIRU-GMBUFXMQSA-N	462.26399	7.917		No matches found	No MS2
Ribothymidine	HMDB0000884		DWRXFEITVBNRMK-JXOAFFINSA-N	258.08526	0.976		No matches found	No MS2
Rizatriptan	HMDB0015088		ULFRLSNUDGIQQP-UHFFFAOYSA-N	269.16333	7.017		No matches found	No MS2
Sakacin P	HMDB0038239		VMETVXNVLXCEFC-UHFFFAOYSA-N	216.1111	3.992		No matches found	No MS2
Salbutamol	HMDB0001937	C11770 	NDAUXUAQIAJITI-UHFFFAOYSA-N	239.15253	8.489		No matches found	DDA for preferred ion
Secoisolariciresinol	HMDB0013692	C18167 	PUETUDUXMCLALY-HOTGVXAUSA-N	362.17266	8.76		No matches found	No MS2
Serotonin	HMDB0000259	C00780	QZAYGJVTTNCVMB-UHFFFAOYSA-N	176.09505	3.352	80.6	Multiple matches found	DDA for preferred ion
Serratanidine		C09899	YCOAYVRPLHVBDP-YSHXYTTRSA-N	295.17861	9.299		No matches found	DDA for preferred ion
Sorbitan laurate	HMDB0029885		LWZFANDGMFTDAV-UHFFFAOYSA-N	346.23636	7.881		No matches found	DDA for preferred ion
Spermidine	HMDB0001257	C00315	ATHGHQPFGPMSJY-UHFFFAOYSA-N	145.15805	0.754		No matches found	DDA for preferred ion
Spermine	HMDB0001256	C00750 	PFNFFQXMRSDOHW-UHFFFAOYSA-N	202.21584	0.767		No matches found	DDA for preferred ion
Sphinganine	HMDB0000269	C00836	OTKJDMGTUTTYMP-ZWKOTPCHSA-N	301.2981	9.114		No matches found	DDA for preferred ion
Sphinganine 1-phosphate	HMDB0001383	C01120 	YHEDRJPUIRMZMP-ZWKOTPCHSA-N	381.26472	9.378		No matches found	DDA for preferred ion
Sphingosine 1-phosphate	HMDB0000277	C06124 	DUYSYHSSBDVJSM-KRWOKUGFSA-N	379.24953	9.229		No matches found	DDA for preferred ion
Suberic acid	HMDB0000893	C08278 	TYFQFVWCELRYAO-UHFFFAOYSA-N	174.08961	6.421	88.2	Single match found	DDA for preferred ion
Succinic acid	HMDB0000254	C00042	KDYFGRWQOYBRFD-UHFFFAOYSA-N	118.0269	2.026	90.9	Multiple matches found	DDA for preferred ion
Taurine	HMDB0000251	C00245 	XOAAWQZATWQOTB-UHFFFAOYSA-N	125.01489	1.013	93	Single match found	DDA for preferred ion
Taurochenodeoxycholic acid	HMDB0000951	C05465	BHTRKEVKTKCXOH-BJLOMENOSA-N	499.29855	8.827	96.3	Multiple matches found	DDA for preferred ion
Tetraacetylethylenediamine	HMDB0040573		BGRWYDHXPHLNKA-UHFFFAOYSA-N	228.11117	1.307		No matches found	No MS2
Tetradecanedioic acid	HMDB0000872		HQHCYKULIHKCEB-UHFFFAOYSA-N	258.18399	9.009	86.3	Single match found	DDA for preferred ion
Tetrahydrocortisol	HMDB0000949	C05465 	AODPIQQILQLWGS-OBRSLYEHSA-N	366.24166	7.76		No matches found	DDA for preferred ion
Tetrahydrocortisone	HMDB0000903		SYGWGHVTLUBCEM-SDYDLROXSA-N	364.22615	11.383		No matches found	No MS2
Threonic acid	HMDB0062620	C01620	JPIJQSOTBSSVTP-STHAYSLISA-N	136.0376	1.126	83.2	Multiple matches found	DDA for preferred ion
Threonylphenylalanine	HMDB0029068		IQHUITKNHOKGFC-MIMYLULJSA-N	266.12673	2.408		No matches found	No MS2
THREO-SPHINGOSINE, (-)-			WWUZIQQURGPMPG-DNWQSSKHSA-N	299.28234	8.978		No matches found	No MS2
Thymopentin			PSWFFKRAVBDQEG-YGQNSOCVSA-N	679.36284	6.518		No matches found	No MS2
Tiglylcarnitine	HMDB0002366		WURBQCVBQNMUQT-OLKPEBQYSA-N	243.14786	6.486		No matches found	DDA for preferred ion
Tiglylglycine	HMDB0000959		WRUSVQOKJIDBLP-HWKANZROSA-N	157.07438	5.273	79.4	Multiple matches found	DDA for preferred ion
Timonacic			DZLNHFMRPBPULJ-UHFFFAOYSA-N	133.01981	6.034		No matches found	No MS2
Tranexamic Acid	HMDB0014447	C12535	GYDJEQRTZSCIOI-UHFFFAOYSA-N	157.11051	0.995		No matches found	No MS2
trans-2-Dodecenoylcarnitine	HMDB0013326		JEOZLTJHDSKQIT-CLVCIHKQSA-N	341.25677	8.324		No matches found	No MS2
trans-Hexadec-2-enoyl carnitine	HMDB0006317		SOYNLLDADLOGAM-ISLYRVAYSA-N	397.31939	9.178		No matches found	No MS2
Traumatic acid	HMDB0000933	C16308	MAZWDMBCPDUFDJ-VQHVLOKHSA-N	228.13683	8.008		No matches found	DDA for preferred ion
Traumatin	HMDB0037326	C16309 	INMKWUNQKOWGEZ-VQHVLOKHSA-N	212.14136	8.161		No matches found	No MS2
Trepibutone		D01365	YPTFHLJNWSJXKG-UHFFFAOYSA-N	310.14244	7.309		No matches found	No MS2
Triacetin	HMDB0029592		URAYPUMNDPQOKB-UHFFFAOYSA-N	218.07958	5.074		No matches found	DDA for preferred ion
Tridecanedioic acid	HMDB0002327		DXNCZXXFRKPEPY-UHFFFAOYSA-N	244.1681	8.677		No matches found	DDA for preferred ion
Tridecanoylglycine	HMDB0013317		BTHNNPTZHGZNAO-UHFFFAOYSA-N	271.21504	8.725		No matches found	No MS2
Triethyl citrate	HMDB0034263		DOOTYTYQINUNNV-UHFFFAOYSA-N	276.12093	6.257		No matches found	No MS2
Trifluoroacetic acid	HMDB0014118		DTQVDTLACAAQTR-UHFFFAOYSA-N	113.99318	0.816		No matches found	DDA for preferred ion
Trimethadione	HMDB0014491		IRYJRGCIQBGHIV-UHFFFAOYSA-N	143.05832	0.941		No matches found	No MS2
Tryptophol	HMDB0003447	C00955	MBBOMCVGYCRMEA-UHFFFAOYSA-N	161.08444	6.936		No matches found	No MS2
tyr-glu			PDSLRCZINIDLMU-QWRGUYRKSA-N	310.11669	4.42		No matches found	DDA for preferred ion
Ubiquinone-2	HMDB0006709	C00399	SQQWBSBBCSFQGC-JLHYYAGUSA-N	318.18395	9.289		No matches found	No MS2
Uracil	HMDB0000300	C00106 	ISAKRJDGNUQOIC-UHFFFAOYSA-N	112.02728	1.997		No matches found	No MS2
Uric acid	HMDB0000289	C00366	LEHOTFFKMJEONL-UHFFFAOYSA-N	168.0287	1.015	88.9	Single match found	DDA for preferred ion
Uridine	HMDB0000296	C00299	DRTQHJPVMGBUCF-XVFCMESISA-N	244.07026	2.023	81.5	Multiple matches found	DDA for preferred ion
Valeroidine			APLLVFVOTXZBFO-RUJICJSRSA-N	241.16818	8.881		No matches found	DDA for preferred ion
val-glu			UPJONISHZRADBH-XPUUQOCRSA-N	246.12169	3.948		No matches found	DDA for preferred ion
Valproic acid glucuronide	HMDB0000901		XXKSYIHWRBBHIC-JVWRJRKNSA-N	320.14809	5.952		No matches found	DDA for preferred ion
Vigabatrin	HMDB0015212	C07500	PJDFLNIOAUIZSL-UHFFFAOYSA-N	129.07912	1.401		No matches found	No MS2
Xanthine	HMDB0000292	C00385	LRFVTYWOQMYALW-UHFFFAOYSA-N	152.0337	1.096	87.5	Single match found	DDA for preferred ion
Xanthurenic acid	HMDB0000881	C02470 	FBZONXHGGPHHIY-UHFFFAOYSA-N	205.03773	5.175		No matches found	DDA for preferred ion
xi-8-Hydroxyhexadecanedioic acid	HMDB0037831		GZQVGXLMHGPBET-UHFFFAOYSA-N	302.21025	8.133		No matches found	DDA for preferred ion
METABOLITES_END
#END