#METABOLOMICS WORKBENCH carlo_g_20190625_210049_mwtab.txt DATATRACK_ID:1747 STUDY_ID:ST001204 ANALYSIS_ID:AN002004 PROJECT_ID:PR000811
VERSION             	1
CREATED_ON             	June 28, 2019, 9:22 pm
#PROJECT
PR:PROJECT_TITLE                 	System-wide biochemical analysis reveals ozonide and artemisinin antimalarials
PR:PROJECT_TITLE                 	initially act by disrupting malaria parasite haemoglobin digestion
PR:PROJECT_SUMMARY               	Artemisinins are currently the first-line antimalarials, and rely on a peroxide
PR:PROJECT_SUMMARY               	pharmacophore for their potent activity. OZ277 (arterolane) and OZ439
PR:PROJECT_SUMMARY               	(artefenomel) are newer synthetic peroxide-based antimalarials with potent
PR:PROJECT_SUMMARY               	activity against the deadliest malaria parasite, Plasmodium falciparum. Here we
PR:PROJECT_SUMMARY               	used a “multi-omics” workflow, in combination with activity-based protein
PR:PROJECT_SUMMARY               	profiling (ABPP), to demonstrate that peroxide antimalarials initially target
PR:PROJECT_SUMMARY               	the haemoglobin (Hb) digestion pathway to kill malaria parasites. Time-dependent
PR:PROJECT_SUMMARY               	metabolomic profiling of peroxide-treated P. falciparum infected red blood cells
PR:PROJECT_SUMMARY               	(iRBCs) revealed a rapid depletion of short Hb-derived peptides, while
PR:PROJECT_SUMMARY               	untargeted peptidomics showed accumulation of longer Hb peptides. Quantitative
PR:PROJECT_SUMMARY               	proteomics and ABPP assays demonstrated that Hb digesting proteases were
PR:PROJECT_SUMMARY               	significantly increased in abundance and activity following treatment,
PR:PROJECT_SUMMARY               	respectively. The association between peroxide activity and Hb catabolism was
PR:PROJECT_SUMMARY               	also confirmed in a K13-mutant artemisinin resistant parasite line. To
PR:PROJECT_SUMMARY               	demonstrate that compromised Hb catabolism may be a primary mechanism involved
PR:PROJECT_SUMMARY               	in peroxide antimalarial activity, we showed that parasites forced to rely
PR:PROJECT_SUMMARY               	solely on Hb digestion for amino acids became hypersensitive to short peroxide
PR:PROJECT_SUMMARY               	exposures. Quantitative proteomics analysis also revealed parasite proteins
PR:PROJECT_SUMMARY               	involved in translation and the ubiquitin-proteasome system were enriched
PR:PROJECT_SUMMARY               	following drug treatment, suggestive of the parasite engaging a stress response
PR:PROJECT_SUMMARY               	to mitigate peroxide-induced damage. Taken together, these data point to a
PR:PROJECT_SUMMARY               	mechanism of action involving initial impairment of Hb catabolism, and indicate
PR:PROJECT_SUMMARY               	that the parasite regulates protein turnover to manage peroxide-induced damage.
PR:INSTITUTE                     	Monash University
PR:LAST_NAME                     	Giannangelo
PR:FIRST_NAME                    	Carlo
PR:ADDRESS                       	381 Royal Parade, Parkville, Victoria, 3052, Australia
PR:EMAIL                         	carlo.giannangelo@monash.edu
PR:PHONE                         	99039282
#STUDY
ST:STUDY_TITLE                   	Peroxide antimalarial extended treatment timecourse on trophozoite-stage P.
ST:STUDY_TITLE                   	falciparum parasites
ST:STUDY_SUMMARY                 	Red blood cells (RBCs) infected with trophozoite stage P. falciparum parasites
ST:STUDY_SUMMARY                 	(3D7 strain) at 10% parasitaemia and 2% haematocrit were treated with OZ277 (300
ST:STUDY_SUMMARY                 	nM), OZ439 (300 nM), DHA (100 nM) or vehicle (0.03% DMSO). This was a
ST:STUDY_SUMMARY                 	4-timepoint study, with samples taken 0, 3, 6 and 9 h after drug or vehicle
ST:STUDY_SUMMARY                 	addition. Samples treated with vehicle acted as the untreated control. Samples
ST:STUDY_SUMMARY                 	from drug treated uninfected RBCs were also taken to ensure the observed drug
ST:STUDY_SUMMARY                 	effects were parasite specific.
ST:INSTITUTE                     	Monash University
ST:LAST_NAME                     	Giannangelo
ST:FIRST_NAME                    	Carlo
ST:ADDRESS                       	381 Royal Parade, Parkville, Victoria, 3052, Australia
ST:EMAIL                         	carlo.giannangelo@monash.edu
ST:PHONE                         	99039282
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Plasmodium falciparum;Homo sapiens
SU:TAXONOMY_ID                   	5833/9606
SU:GENOTYPE_STRAIN               	3D7
SU:AGE_OR_AGE_RANGE              	28-34 h post invasion
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	OZ277_unRBC_6h_B	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_iRBC_0h_B	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_unRBC_3h_B	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DHA_unRBC_0h_B	cell_type:unRBC | treatment:DHA | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_iRBC_3h_B	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_unRBC_0h_B	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_iRBC_9h_B	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_unRBC_0h_B	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_iRBC_6h_B	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_unRBC_9h_B	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_iRBC_3h_B	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DHA_iRBC_0h_B	cell_type:iRBC | treatment:DHA | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	DHA_unRBC_6h_B	cell_type:unRBC | treatment:DHA | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_iRBC_3h_B	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DHA_unRBC_9h_B	cell_type:unRBC | treatment:DHA | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_iRBC_6h_B	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_unRBC_6h_B	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_unRBC_9h_B	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	DHA_iRBC_3h_B	cell_type:iRBC | treatment:DHA | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DHA_unRBC_3h_B	cell_type:unRBC | treatment:DHA | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_iRBC_6h_B	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_iRBC_9h_B	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_iRBC_0h_B	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_iRBC_0h_B	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_unRBC_6h_B	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_iRBC_9h_B	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_unRBC_3h_B	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_unRBC_9h_B	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_unRBC_3h_B	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_unRBC_0h_B	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	DHA_iRBC_6h_B	cell_type:iRBC | treatment:DHA | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	DHA_iRBC_9h_B	cell_type:iRBC | treatment:DHA | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_iRBC_9h_C	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_iRBC_0h_C	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_iRBC_3h_C	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DHA_iRBC_3h_C	cell_type:iRBC | treatment:DHA | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_iRBC_9h_C	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_unRBC_3h_C	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_iRBC_6h_C	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_unRBC_9h_C	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_iRBC_3h_C	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_iRBC_6h_C	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	DHA_iRBC_9h_C	cell_type:iRBC | treatment:DHA | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_unRBC_0h_C	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	DHA_unRBC_6h_C	cell_type:unRBC | treatment:DHA | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	DHA_unRBC_9h_C	cell_type:unRBC | treatment:DHA | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	DHA_unRBC_0h_C	cell_type:unRBC | treatment:DHA | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_iRBC_0h_C	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_unRBC_9h_C	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_iRBC_6h_C	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_unRBC_9h_C	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_iRBC_3h_C	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_unRBC_6h_C	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_iRBC_9h_C	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	DHA_iRBC_6h_C	cell_type:iRBC | treatment:DHA | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_unRBC_6h_C	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_iRBC_0h_C	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_unRBC_0h_C	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	DHA_iRBC_0h_C	cell_type:iRBC | treatment:DHA | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_unRBC_6h_C	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_unRBC_0h_C	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_unRBC_3h_C	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DHA_unRBC_3h_C	cell_type:unRBC | treatment:DHA | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_unRBC_3h_C	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_unRBC_0h_D	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	DHA_unRBC_0h_D	cell_type:unRBC | treatment:DHA | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_iRBC_0h_D	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_iRBC_0h_D	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	DHA_iRBC_0h_D	cell_type:iRBC | treatment:DHA | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_iRBC_0h_D	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_unRBC_0h_D	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_unRBC_0h_D	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):-	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_unRBC_6h_D	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_iRBC_3h_D	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_unRBC_6h_D	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_unRBC_3h_D	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_iRBC_6h_D	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	DHA_unRBC_6h_D	cell_type:unRBC | treatment:DHA | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_unRBC_9h_D	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_iRBC_9h_D	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	DHA_iRBC_6h_D	cell_type:iRBC | treatment:DHA | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_unRBC_3h_D	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DHA_iRBC_3h_D	cell_type:iRBC | treatment:DHA | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DHA_iRBC_9h_D	cell_type:iRBC | treatment:DHA | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_iRBC_9h_D	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_iRBC_3h_D	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DHA_unRBC_3h_D	cell_type:unRBC | treatment:DHA | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_iRBC_9h_D	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_unRBC_6h_D	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_unRBC_9h_D	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_iRBC_6h_D	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_iRBC_6h_D	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6	
SUBJECT_SAMPLE_FACTORS           	-	OZ277_unRBC_9h_D	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9	
SUBJECT_SAMPLE_FACTORS           	-	OZ439_unRBC_3h_D	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DMSO_iRBC_3h_D	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3	
SUBJECT_SAMPLE_FACTORS           	-	DHA_unRBC_9h_D	cell_type:unRBC | treatment:DHA | treatment_duration_(h):9	
#COLLECTION
CO:COLLECTION_SUMMARY            	Infected RBCs were adjusted to 10% parasitaemia and 2% haematocrit and the
CO:COLLECTION_SUMMARY            	culture medium refreshed prior to drug addition. Following the drug incubation
CO:COLLECTION_SUMMARY            	period, 1E8 cells were pelleted by centrifugation at 1,000 x g for 3 min and the
CO:COLLECTION_SUMMARY            	culture medium was removed. Parasite metabolism was quenched by the addition of
CO:COLLECTION_SUMMARY            	ice-cold PBS, pelleted again and the supernatant discarded prior to metabolite
CO:COLLECTION_SUMMARY            	extraction. Metabolites were extracted from the cell pellet using 150 µL of
CO:COLLECTION_SUMMARY            	cold methanol. The extraction solvent containing the internal standard compounds
CO:COLLECTION_SUMMARY            	CHAPS (3-[(3-cholamidopropyl)-dimethylammonio]-1-propanesulfonate), CAPS
CO:COLLECTION_SUMMARY            	(3-(cyclohexylamino)-1-propanesulfonic acid), PIPES
CO:COLLECTION_SUMMARY            	(1,4-piperazinediethanesulfonic acid) and TRIS
CO:COLLECTION_SUMMARY            	(2-amino-2-(hydroxymethyl)-1,3-propanediol) was directly added to the cell
CO:COLLECTION_SUMMARY            	pellet, mixed by pipetting and subjected to automatic vortex mixing for 1 h at
CO:COLLECTION_SUMMARY            	4°C. Following the 1 h incubation, samples were pelleted by centrifugation at
CO:COLLECTION_SUMMARY            	21,100 x g for 10 min, 110 µL of particle free supernatant was transferred to
CO:COLLECTION_SUMMARY            	glass LC-MS vials and stored at -80°C until analysis. A 15 µL aliquot of each
CO:COLLECTION_SUMMARY            	sample was combined to generate a pooled biological quality control (PBQC)
CO:COLLECTION_SUMMARY            	sample.
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Trophozoite-stage P. falciparum infected RBCs (10% parasitaemia and 2% Hct) were
TR:TREATMENT_SUMMARY             	treated with OZ277 (300 nM), OZ439 (300 nM), DHA (100 nM) or an equivalent
TR:TREATMENT_SUMMARY             	volume of DMSO (0.03%) for 0, 3, 6 and 9 h. During the drug incubation period
TR:TREATMENT_SUMMARY             	parasites were at 37°C under a gas atmosphere of 94% N2, 5% CO2 and 1% O2.
TR:TREATMENT_COMPOUND            	OZ277 (arterolane), OZ439 (artefenomel) and dihydroartemisinin (DHA)
TR:TREATMENT_VEHICLE             	DMSO
TR:CELL_MEDIA                    	Complete RPMI medium (10.4 g/L) containing HEPES (5.94 g/L), hypoxanthine (50
TR:CELL_MEDIA                    	mg/L), sodium bicarbonate (2.1 g/L) and Albumax II (5 g/L).
TR:CELL_MEDIA_LASTCHANGED        	Immediately prior to initiation of drug incubation
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Infected RBCs were adjusted to 10% parasitaemia and 2% haematocrit and the
SP:SAMPLEPREP_SUMMARY            	culture medium refreshed prior to drug addition. Following the drug incubation
SP:SAMPLEPREP_SUMMARY            	period, 1E8 cells were pelleted by centrifugation at 1,000 x g for 3 min and the
SP:SAMPLEPREP_SUMMARY            	culture medium was removed. Parasite metabolism was quenched by the addition of
SP:SAMPLEPREP_SUMMARY            	ice-cold PBS, pelleted again and the supernatant discarded prior to metabolite
SP:SAMPLEPREP_SUMMARY            	extraction. Metabolites were extracted from the cell pellet using 150 µL of
SP:SAMPLEPREP_SUMMARY            	cold methanol. The extraction solvent containing the internal standard compounds
SP:SAMPLEPREP_SUMMARY            	CHAPS (3-[(3-cholamidopropyl)-dimethylammonio]-1-propanesulfonate), CAPS
SP:SAMPLEPREP_SUMMARY            	(3-(cyclohexylamino)-1-propanesulfonic acid), PIPES
SP:SAMPLEPREP_SUMMARY            	(1,4-piperazinediethanesulfonic acid) and TRIS
SP:SAMPLEPREP_SUMMARY            	(2-amino-2-(hydroxymethyl)-1,3-propanediol) was directly added to the cell
SP:SAMPLEPREP_SUMMARY            	pellet, mixed by pipetting and subjected to automatic vortex mixing for 1 h at
SP:SAMPLEPREP_SUMMARY            	4°C. Following the 1 h incubation, samples were pelleted by centrifugation at
SP:SAMPLEPREP_SUMMARY            	21,100 x g for 10 min, 110 µL of particle free supernatant was transferred to
SP:SAMPLEPREP_SUMMARY            	glass LC-MS vials and stored at -80°C until analysis. A 15 µL aliquot of each
SP:SAMPLEPREP_SUMMARY            	sample was combined to generate a pooled biological quality control (PBQC)
SP:SAMPLEPREP_SUMMARY            	sample.
SP:PROCESSING_STORAGE_CONDITIONS 	Described in summary
SP:EXTRACT_STORAGE               	Described in summary
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The 32 min gradient HPLC run was from 80% B to 50% B over 15 min, then to 5% B
CH:CHROMATOGRAPHY_SUMMARY        	at 18 min, followed by a wash with 5% B for 3 min and re-equilibrated with 80% B
CH:CHROMATOGRAPHY_SUMMARY        	at a flow rate of 0.3 mL/min.
CH:CHROMATOGRAPHY_TYPE           	pHILIC
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	SeQuant ZIC- pHILIC (150 x 2.1mm, 5um)
CH:SOLVENT_A                     	20 mM ammonium carbonate
CH:SOLVENT_B                     	100% acetonitrile
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Metabolite detection was performed using a high-resolution Q Exactive MS
MS:MS_COMMENTS                   	(ThermoFisher) in both positive and negative ionisation modes. The PBQC sample
MS:MS_COMMENTS                   	was run periodically throughout each LC-MS batch to monitor signal
MS:MS_COMMENTS                   	reproducibility and support downstream metabolite identification. Extraction
MS:MS_COMMENTS                   	solvent blank samples were also analysed to identify possible contaminating
MS:MS_COMMENTS                   	chemical species. To aid in metabolite identification, approximately 250
MS:MS_COMMENTS                   	authentic metabolite standards were analysed prior to each LC-MS batch and their
MS:MS_COMMENTS                   	peaks and retention time manually checked using the ToxID software
MS:MS_COMMENTS                   	(ThermoFisher). Metabolomics data were analysed using the IDEOM workflow (Creek
MS:MS_COMMENTS                   	et al. 2012). Briefly, the IDEOM processing pipeline uses msconvert for
MS:MS_COMMENTS                   	conversion of raw files to mzXML files and split polarity, XCMS to extract raw
MS:MS_COMMENTS                   	peak intensities and mzMatch to align samples, filter noise, fill missing peaks
MS:MS_COMMENTS                   	and annotate related peaks. Manual assessment of spiked internal standards,
MS:MS_COMMENTS                   	total ion chromatograms and median peak heights ensured signal reproducibility
MS:MS_COMMENTS                   	and allowed exclusion of outlier samples. High confidence metabolite
MS:MS_COMMENTS                   	identification (MSI level 1) was made by matching accurate mass and retention
MS:MS_COMMENTS                   	time to authentic metabolite standards. Putative identifications (MSI level 2)
MS:MS_COMMENTS                   	for metabolites lacking standards were based on exact mass and predicted
MS:MS_COMMENTS                   	retention times.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak intensity
MS_METABOLITE_DATA_START
Samples	DHA_iRBC_0h_B	DHA_iRBC_0h_C	DHA_iRBC_0h_D	DHA_iRBC_3h_B	DHA_iRBC_3h_C	DHA_iRBC_3h_D	DHA_iRBC_6h_B	DHA_iRBC_6h_C	DHA_iRBC_6h_D	DHA_iRBC_9h_B	DHA_iRBC_9h_C	DHA_iRBC_9h_D	DHA_unRBC_0h_B	DHA_unRBC_0h_C	DHA_unRBC_0h_D	DHA_unRBC_3h_B	DHA_unRBC_3h_C	DHA_unRBC_3h_D	DHA_unRBC_6h_B	DHA_unRBC_6h_C	DHA_unRBC_6h_D	DHA_unRBC_9h_B	DHA_unRBC_9h_C	DHA_unRBC_9h_D	DMSO_iRBC_0h_B	DMSO_iRBC_0h_C	DMSO_iRBC_0h_D	DMSO_iRBC_3h_B	DMSO_iRBC_3h_C	DMSO_iRBC_3h_D	DMSO_iRBC_6h_B	DMSO_iRBC_6h_C	DMSO_iRBC_6h_D	DMSO_iRBC_9h_B	DMSO_iRBC_9h_C	DMSO_iRBC_9h_D	DMSO_unRBC_0h_B	DMSO_unRBC_0h_C	DMSO_unRBC_0h_D	DMSO_unRBC_3h_B	DMSO_unRBC_3h_C	DMSO_unRBC_3h_D	DMSO_unRBC_6h_B	DMSO_unRBC_6h_C	DMSO_unRBC_6h_D	DMSO_unRBC_9h_B	DMSO_unRBC_9h_C	DMSO_unRBC_9h_D	OZ277_iRBC_0h_B	OZ277_iRBC_0h_C	OZ277_iRBC_0h_D	OZ277_iRBC_3h_B	OZ277_iRBC_3h_C	OZ277_iRBC_3h_D	OZ277_iRBC_6h_B	OZ277_iRBC_6h_C	OZ277_iRBC_6h_D	OZ277_iRBC_9h_B	OZ277_iRBC_9h_C	OZ277_iRBC_9h_D	OZ277_unRBC_0h_B	OZ277_unRBC_0h_C	OZ277_unRBC_0h_D	OZ277_unRBC_3h_B	OZ277_unRBC_3h_C	OZ277_unRBC_3h_D	OZ277_unRBC_6h_B	OZ277_unRBC_6h_C	OZ277_unRBC_6h_D	OZ277_unRBC_9h_B	OZ277_unRBC_9h_C	OZ277_unRBC_9h_D	OZ439_iRBC_0h_B	OZ439_iRBC_0h_C	OZ439_iRBC_0h_D	OZ439_iRBC_3h_B	OZ439_iRBC_3h_C	OZ439_iRBC_3h_D	OZ439_iRBC_6h_B	OZ439_iRBC_6h_C	OZ439_iRBC_6h_D	OZ439_iRBC_9h_B	OZ439_iRBC_9h_C	OZ439_iRBC_9h_D	OZ439_unRBC_0h_B	OZ439_unRBC_0h_C	OZ439_unRBC_0h_D	OZ439_unRBC_3h_B	OZ439_unRBC_3h_C	OZ439_unRBC_3h_D	OZ439_unRBC_6h_B	OZ439_unRBC_6h_C	OZ439_unRBC_6h_D	OZ439_unRBC_9h_B	OZ439_unRBC_9h_C	OZ439_unRBC_9h_D
Factors	cell_type:iRBC | treatment:DHA | treatment_duration_(h):-	cell_type:iRBC | treatment:DHA | treatment_duration_(h):-	cell_type:iRBC | treatment:DHA | treatment_duration_(h):-	cell_type:iRBC | treatment:DHA | treatment_duration_(h):3	cell_type:iRBC | treatment:DHA | treatment_duration_(h):3	cell_type:iRBC | treatment:DHA | treatment_duration_(h):3	cell_type:iRBC | treatment:DHA | treatment_duration_(h):6	cell_type:iRBC | treatment:DHA | treatment_duration_(h):6	cell_type:iRBC | treatment:DHA | treatment_duration_(h):6	cell_type:iRBC | treatment:DHA | treatment_duration_(h):9	cell_type:iRBC | treatment:DHA | treatment_duration_(h):9	cell_type:iRBC | treatment:DHA | treatment_duration_(h):9	cell_type:unRBC | treatment:DHA | treatment_duration_(h):-	cell_type:unRBC | treatment:DHA | treatment_duration_(h):-	cell_type:unRBC | treatment:DHA | treatment_duration_(h):-	cell_type:unRBC | treatment:DHA | treatment_duration_(h):3	cell_type:unRBC | treatment:DHA | treatment_duration_(h):3	cell_type:unRBC | treatment:DHA | treatment_duration_(h):3	cell_type:unRBC | treatment:DHA | treatment_duration_(h):6	cell_type:unRBC | treatment:DHA | treatment_duration_(h):6	cell_type:unRBC | treatment:DHA | treatment_duration_(h):6	cell_type:unRBC | treatment:DHA | treatment_duration_(h):9	cell_type:unRBC | treatment:DHA | treatment_duration_(h):9	cell_type:unRBC | treatment:DHA | treatment_duration_(h):9	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):-	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):-	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):-	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9	cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):-	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):-	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):-	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9	cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):-	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):-	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):-	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9	cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):-	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):-	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):-	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9	cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):-	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):-	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):-	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9	cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):-	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):-	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):-	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9	cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9
gamma-thiomethyl glutamate	104962.1953	74790.67188	77495.70313	110343.4219	67670.50781	70279.60938	88111.75	67745.76563	75816.15625	108860.9453	77418.14844	66110.3125	21597.36523	23877.7793	44747.42188	0	22818.96484	52723.78125	21416.07813	70205.64063	57380.375	0	42692.73047	40388.34375	127196.0625	58966.76563	92443.91406	93968.67969	70304.78906	72659.54688	82672.33594	47737.27344	130603.6797	72004.375	102742.3203	80323.63281	0	46546.48438	37808.55469	27807.00586	33196.27344	65963.95313	0	52408.05469	35070.46094	0	47493.76172	74106.29688	105487.7422	83148.17188	54593.06641	106149.6172	69237.32031	78398.67969	73566.57813	122417.2266	74150.96875	90677.38281	62887.84766	79175.90625	0	43434.34375	71833.88281	0	65177.17188	56396.55078	16676.60547	56985.73047	97244.44531	16552.27734	32527.68555	68159.75781	111132.6484	77401.80469	63955.52344	84158.28125	82794.60156	77300.67188	79156.58594	94519.35938	59586.73828	88772.57813	75580.72656	79956.42969	0	22213.61328	59264.82031	0	30306.94531	24193.79492	18599.76953	64954.29297	70099.41406	14537.49023	36822.77734	86253.02344
(-)-Hygroline	386673.6563	425661.6875	419288.6875	299817.4375	433958.0938	504485.7188	443946	465297.1563	591856.125	478126.3438	488463.125	453730.2813	299531.9688	327398.9688	447802	298966.1563	374587.8125	454110.9375	261474.9375	328760.6563	493404.5938	387549.2188	530500.125	515026.1875	191450.1094	431731.5	334008.2188	280105.3438	271164.0938	821862.875	260421.3594	355550.375	432685.75	63054.78125	437189.0313	89346.4375	434304.1875	686856.9375	401757.0313	405318.1875	367786.0625	344811.5625	290144.2813	576198.4375	314040.5938	499721.5313	550366.125	382118.7188	293214.8125	555614.5	429140.9375	328755.9375	500066.2188	520171	356259.4688	409664.5	480647.4688	317860.9688	364030.1875	377706.6563	263162.7188	453248.9063	310148.75	254727.3438	416703.4688	421229.0313	183532.7813	437876.9375	618188	377814.0938	549211.3125	475720.75	495198.9375	499893.3125	426111.9688	355470.7813	335428.7813	410611.7813	457533.3125	510050.5	527523.4375	394741.1875	353588.5625	780399.5625	416296	452162.7188	630024.125	673763.875	308330.6563	497051.5938	327818.25	365496.9688	526104.1875	350764.9063	533205.4375	529594.6875
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol	81868.24219	84033.10938	88342.13281	97875.84375	87276.29688	83053.89844	94444.03125	87101.99219	105350.8203	101824.2422	91058.45313	96644.95313	70449.19531	92284.38281	89471.39063	84331.66406	84282.53906	120488.2109	81824.32031	115852.5	76085.32031	95026.61719	87942.0625	81082.77344	53959.35156	121374	100987.3125	97615.5	119612.5938	94869.61719	79980.17188	82668.90625	97667.07031	69629.97656	58888.43359	123181.4922	95435.28906	99491.46875	94352.64063	112761.8984	84729.53125	100555.2656	47160.83594	97017.80469	106870.7109	124435.6484	87963.17969	110354.1094	80143.26563	134613.8594	125390.0625	63483.02734	92214.05469	84010.48438	60414.96094	71908.14063	85069.39063	82099.20313	84181.64844	58684.92969	82897.65625	99545.92188	84607.67969	70288.6875	88647.03125	83424.13281	87443.40625	86621	54202.9375	67522.39063	94833.59375	68651.20313	77270.07813	92092.53906	129141.4688	75081.69531	79661.17969	131274.0781	116029.1172	106788.2969	94210.35938	83260.76563	88913.66406	89825.01563	80595.5625	128530.0234	103919.1563	90426.89844	85995.63281	83564.32031	85767.84375	131752.9219	106250.0156	67400.60938	98078.6875	132293.2969
(1R,4S)-fenchan-2-one	84178.48438	150213.125	104182.7813	116286.1953	130559.3438	223517.125	160079.2188	73912.42188	120544.3984	157767.375	102788.4688	235960.375	114415.2266	61895.61328	134847.3125	104540.3359	142764.5469	293106.4375	70308.36719	179453.8906	125985.6875	103870.5547	47914.39063	148397.9063	86125.05469	113479.0625	148655.7344	95934.26563	114276	160077.0313	107687.6563	123010.1328	138352.625	136855.2344	100465.9688	146851.0781	182835.25	156244.0781	180698.7656	76705.27344	114324.4609	210029.4688	140013.8594	246801.6094	181730.125	174290.9844	191260.0625	144741.5	189203.0156	128297.3438	231474.6719	80026.70313	97117.46875	173836.125	129202.125	58265.45703	88230.29688	63719.02734	168876	103541.3672	105973.9453	126971.7734	387335.0313	68156.95313	137249.7188	166752.2813	63585.48828	151960.5938	173225.1563	158037.125	178588.4063	114784.2109	79140.05469	180773.8125	154183.6563	96551.55469	99119.6875	194947.4063	132091.3125	190916.7344	113521.5156	123926.3281	175539.1719	126096.2188	65034.71484	127447.1094	91350.22656	88099.00781	110855.7266	177617.875	163100.7656	73147.94531	213541	71760.0625	46322.84766	153454.9375
(24R,24'R)-Fucosterol epoxide	80271.29688	81406.08594	175617.9531	97446.91406	64625.91016	146580.125	89485.9375	147655.9375	152151.9375	68797.8125	58162.42188	145021.7656	144440.25	168136.3438	215458.4531	223070.7344	274181.1563	166367.9688	153065.9219	266605.9688	219033.4063	157289.6719	87801.25	164525.4375	73794.35156	188726.6406	129903.3203	98085.80469	96877.22656	163778.5156	63562.22266	82098.00781	148567.8438	121192.4531	63057.80078	137525.9688	244444.0781	203039.2813	183737.8125	209494.7656	193593.8594	253131.6875	227035.5781	164815.6719	171434.9063	180074.0938	185966.6875	172531.5781	102262.8047	70776.1875	120564.9766	129848.75	67952.99219	119750.6484	83293.125	81331.89844	148163.3906	68401.98438	95010.8125	130131.3594	113881.8594	182798.25	370623.5938	122612.5859	255726.5469	218874.0938	145416.5	293233.1875	208155.8281	87534.63281	223037.9531	183589.4688	86208.60156	99078.78125	133921.1875	79613.90625	76488.17188	210460.4688	94974.9375	100107.5391	177219.5	57100.64453	106347.5703	183673.7031	86366.10938	195567.375	228085.8281	187164.8438	250364.1563	189555.6094	306805.125	143750.7031	169026.9063	223776.4063	217067.4531	132470.6094
[FA (5:2)] 2,4-pentadienoic acid	6405.462891	5561.985352	5521.227539	5781.041992	5530.26123	6293.744629	5272.549316	4937.683105	5007.086426	5314.665039	9857.574219	7196.993164	49819.51563	55160.72266	68783.71875	82786.48438	98002.28906	97172.90625	126367.9141	105816.9297	126101.0078	107145.6094	108686.6328	120083.75	7785.837891	4298.821777	7366.661621	9921.43457	4400.986328	5174.734375	7175.773926	6012.527344	5283.012695	7834.732422	9661.859375	4973.764648	50876.99609	61125.49219	70792.03125	95894.9375	97901.53125	75056.50781	90299.75	120228.75	124074.7656	140444.6563	123813.2656	148514.4688	5144.311523	5196.154297	6778.971191	9640.501953	5433.674805	5421.154297	6122.974609	5435.69043	5292.008789	5172.769531	4416.145508	14345.46094	46056.27734	75302.58594	85856.53906	72121.4375	103513.7656	94127.65625	100088.9844	121785.8281	104040.6406	121593.7578	132070.1406	130251.0313	5314.724121	8336.524414	5507.712891	6634.410645	10815.02441	7532.537598	6035.73291	4872.986816	5885.868164	5226.571777	5512.01416	6277.424316	70842.92188	99003.53125	62169.74609	89872.75	125283.2266	113052.5781	109459.2266	156287.125	99457.91406	84507.59375	136041.0469	153854.4219
[FA hydroxy(18:0)] 9,10,12,13-tetrahydroxy-octadecanoic acid	51304.14453	80386.98438	66966.25781	75514.65625	51341.63672	78976.64063	79719.78906	89288.47656	109104.8594	82296.48438	57462.91016	94448.90625	36674.43359	80998.65625	103350.375	87629.03906	77398.27344	114328.1328	89296.61719	64259.93359	86188.42969	45733.67188	77828.20313	99030.79688	29892.97266	71872.47656	94896.78125	34074.90234	101779.0938	68335.48438	46671.94922	81631.51563	76982.46094	45629.78906	70941.0625	73085.67969	66338.3125	59992.47656	91714.47656	64858.88281	65453.53125	52983.07813	67560.69531	100181.9531	72135.17969	78805.27344	55219.39063	75334.48438	61041.58594	85688.23438	79754.75	52001.19141	108209.6875	76460.61719	53544.33594	84743.88281	52809.95313	72393.47656	63091.58594	98282.07031	38040.62109	77937.23438	51890.25391	51370.79297	72011.53906	76655.67188	42245.65625	87908.875	91582.61719	69720.32813	83869.48438	79319.82031	79283.55469	102279.625	77402.64063	65626.89844	108402.4766	96536.42188	59417.51953	99858.21875	78557.50781	59227.625	82576.49219	103364.5391	47178.375	64890.66016	103952.875	50905.55469	82185.71094	90986.98438	111417.9609	48063.1875	128831.1016	74312.50781	111513.9063	83890.78906
[FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid	55894.60938	167142.7031	0	43186.23438	168902.4375	0	86675.09375	179614.9531	0	152206.5	199108.1875	0	53863.90625	137389.5156	0	41805.90625	179849.5156	0	84593.17188	174119.3906	21596.2207	166519.6875	191509.0469	18364.38867	28506.24219	187020.3281	0	45661.16406	188508.2031	0	100819.8984	212106.5	17099.66016	113656.3672	240421.125	0	64948.71875	188872.8906	0	48355.44922	205889.1094	0	95670.60938	250083.1406	0	153252.4688	188024.8438	0	63779.48438	180211.9531	0	37309.73047	139160.0938	0	127598.2656	176016.25	0	189477.9688	251716.7813	0	38363.90625	176113.2656	6171.5625	44363.87891	170643.8438	0	55653.14063	258766.0625	0	132510	205887.1094	0	48831.18359	237947.8125	0	43859.42578	168567.3281	0	122084.5469	277136	0	100470.3984	208620.3281	0	44650.50781	162093.2188	0	43972.62109	178961.9219	11969.65234	98263.15625	185452.7656	0	150843.2813	229766.2188	0
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid	320862	189942.1875	38149.88672	294049.2188	241518.625	44301.80859	337060.5625	196583.8594	29070.7793	274391.1563	202909.3438	30337.6582	650412.125	918952.3125	57544.23047	811920.4375	679429.1875	52352.05078	465105	637451.5	35786.51953	626882.4375	734543.25	39730.53516	268159.75	168483.9688	34264.59766	252134.8438	198322.1875	31426.15039	332651.6875	192132.9688	35079.84375	249292.1094	189257.2813	35808.47656	676188.5625	844375.4375	42561.19531	570155.125	785355.1875	42318.22656	642361.9375	692520.875	45215.76563	661462.875	691943.75	41082.875	222353.9063	199930.4219	29559.5332	294429.25	270567.375	41065.75391	302360.9375	179099.8438	33396.5	415581.2188	190296.5156	29574.05273	539889.25	688198.8125	55099.68359	520238.0313	689601.75	65222.15625	595671.5	702693.625	47832.625	498122.4375	763224.375	45856.78125	227035.875	211185.1875	43666.41406	302357.75	219439.2344	42913.05078	222423.9219	179601.5625	30682.75586	250712.8906	192960.6094	36384.24609	482386.4688	732694.375	37332.46484	743577.25	786627.875	35539.48047	606284.6875	807741.8125	51300.57813	852319.25	678500.5	37714.71875
[Fv hydroxy,methoxy,methyl,acetyl(5:0)] 3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)	91108.42969	174619.1563	115053.1875	95941.28906	116065.0156	96811.50781	112098.3203	82375.99219	85189.85156	81218.1875	73589.89063	73534.125	104074.7813	217416.4531	109953.0781	110758.5547	116070.2578	137527.8438	80485.69531	79380.90625	202509.2031	118283.8359	96320.38281	110808.375	102222.1094	140027.75	83991.17188	93466.8125	103930.1719	120458.1328	78203.47656	108017.3438	100919.1797	69486.64844	83271.39844	100950.5938	103301.0859	193076.7813	93252.79688	162459.0469	160655.2344	174971.8594	95817.6875	130529.2734	132211.7813	229917.7344	132812.7344	129480	110042.1641	231926.2656	147770.9844	88998.10156	94875.27344	85624.98438	74483.17969	105936.9609	90308.875	92290.25781	83272.16406	86763.92969	77957.41406	205929.8125	97363.75	100898.9688	125587.0078	109876.7266	96618.03125	102363.4922	121042.5	109015.8438	126127.7266	122615.9609	83957.35938	180038.7656	105215.5781	98550.92188	99179.40625	127151.1484	107426.8672	92635.78906	81165.875	112169.4453	90492.03906	105476.4141	99963.92969	296967.4375	95632.82813	129776.9844	178170.875	164973.8594	136257.7188	127606.375	211899.6094	165494	142869.8438	125165.7422
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine	143463.6875	133994.7031	214856.875	112651.3984	100977.7188	167818.0625	169314.1094	143145.2969	173218.4531	137734.375	192470.5	193361.2344	138005.5938	246786.9375	229984.7344	148002.9531	178615.6406	119284.6328	179424.7344	185396.625	274822.2813	208947.2813	173531.3438	173548.9531	122036.9766	159701	189215.2969	112189.0234	152477.7656	155312.8438	68838.79688	102608.2422	149151.6719	123542.2109	113444.5703	155889.6406	200368.8125	236345.375	219389.25	132966.5469	247093.6875	164159.4063	183942.7969	221547.5156	179405.8906	184534.2969	258311.4063	185016.9844	155765.4063	132498.0156	183551.3906	130119.7109	153862.4063	175263.2188	132680.375	147940.3594	172757.8594	135802.3438	165804.5156	165515.4375	120396.2734	168489.9688	269554	117348.1719	204651.125	178679.625	87120.82813	173118.2969	185849.9688	127784.8203	177600.125	190470.1406	172190.5938	167751.0781	131862.6875	135978.9063	171439.0313	156156.3438	128757.125	121308.5938	133409.2031	114828.8125	124010.5859	148767.4844	143079.8594	261492.8906	164882.25	188495.8438	180255.25	127638.2188	209221.6094	164205.5313	160764.5156	165961.2813	143978.5469	149248.9219
[PC(18:3)]	81620.27344	134508.2969	132562.7188	44909.89453	59869.01563	82739.67969	0	0	49193.16797	0	0	0	96071.03125	88359.5625	168304	83283.33594	114951.4531	115091.0234	71849.16406	98716.66406	121593.9766	100621.125	106329.6953	130826.3438	57741.4375	73870.59375	94013.60938	26593.81445	58545.88672	62799.59766	0	64588.23828	68475.26563	0	0	0	96905.01563	141530.3438	195762.6719	89559.01563	114763.1484	173254.4375	96968.14844	190050.6875	111019.5156	84882.59375	146926.4688	103744.9844	87887.44531	95190.80469	83673.07031	16803.46094	39349.61328	58035.63281	0	62096.64844	57003.69141	0	0	0	61611.41797	114635.6016	238703.5313	75780.03906	125063.2656	110572.9766	48001.19531	142719.7188	110297.0938	67303.64063	142513.3906	122334.75	120514.3125	92623.74219	120202.4688	32965.67188	55983.32813	90681.125	0	0	39922.20703	0	0	0	92944.1875	162137.9844	102211.5547	120459.0469	111789.2656	85669.16406	139456.3438	149187.7344	106359.875	132654.9688	131393.0156	145727.3594
[PC(19:2)] 1-(1Z,12Z-nonadecadienyl)-sn-glycero-3-phosphocholine	512148.625	310806.1563	344849.7813	673543.875	397646	258358.8125	468712.875	337121.0938	302707.6563	476252.8438	545948.0625	274855.0625	576657.625	273412	397762.6875	565308.75	350449.75	209693.375	596268.875	472845.5	256319.7344	713690.875	396275.1563	199137.2813	565742.1875	497286.4688	239440.375	514357.9375	289644.9063	162366.3906	825443.8125	414276.6563	336200.2188	505426.5313	315458.75	349264.7188	503132.375	462881.4688	431042.3125	465495.5313	364849.1875	322823.75	611046.4375	444669.9063	250932.6094	591284.25	461469.3125	245482.2813	463690.7813	346759.0938	334941.3438	681828.125	452810.8438	243702.6094	562953.3125	492548.6563	242818.9063	506284.0625	379727.75	155458.0781	642412.125	359473.2813	277746.4375	556731.875	561486.5625	262784.9688	485828.0313	340081.1563	220835.1563	471612.5938	482845.5	232759.1094	551578.3125	350782.6875	381136.3125	803952.125	453653.3438	253659.0469	674321.1875	379272.9063	229251.8594	545369.8125	551680.5	240535.7031	675107.25	273589.0313	300194.125	624666.625	304316.4688	142990.3125	585952.875	355294.6563	271071.2813	556002.8125	326755.2813	244148.5938
[PR] (-)-alpha-Bisabolol	93219.70313	111694.5078	124187.5469	74627.49219	98299.72656	107888.2813	87927.10156	108390.9063	175227.2031	92039.10938	85457.80469	111705.4688	90890.89063	132408.0938	110575.3906	106868.0703	91610.22656	124493.9766	95704.65625	117608.0391	134394.0313	81593.91406	92540.92969	114204.5391	78081.23438	101131.25	161453.625	72173.60938	132428.3125	102941.9141	75997.15625	78350.39063	135246.5469	101039.7891	108128.4922	114840.8594	107160.1484	86980.41406	167701.5938	110620.8906	126733.7656	144588.1094	102083.375	119726.75	105778.3594	96407.17969	111677.6406	177161.9531	72937.625	121456.0078	124225.5703	108091.3516	102802.1719	141479.1094	104345.9063	137028.875	85597.21875	118123.7891	99946.08594	105978.6875	85542.09375	104654.2813	137146.9688	75466.09375	112685.6719	143864.7656	91828.41406	99155.94531	99730.17188	136522.7969	94875.83594	112297.4141	92669.88281	152076.3125	111103.2188	104085.8125	132198.6406	141821.75	120437.9922	109034.3516	132428.8438	85119.89063	129321.5625	141369.75	69113.86719	108893.2266	108095.7266	105183.9688	95638.48438	124685.9922	106488.2656	121771.6172	118550.2813	109875.4063	107701.7031	104083.25
[PR] Farnesyl pyrophosphate	28196.62305	54496.32422	118553.6094	36916.14844	37270.89063	86057.875	55156.16406	37375.73828	96862.35938	35812.36328	41599.07422	76399.70313	32506.99609	73422.40625	129600.8047	51279.83203	64972.5625	86517.16406	130675.5625	65746.89063	94828.28125	49860.60938	97143.28125	64604.51563	22778.26367	39528.28906	90708.86719	32939.10156	43506.03906	69085.24219	40354.01563	31820.49219	78443.51563	41150.44922	35137.73047	62862.41406	55819.24609	88653.30469	109012.9297	45999.45313	100545.4297	58299.3125	51097.88281	55307.75	88520.25	73330.73438	69194.30469	63244.4375	31199.95117	62164.78906	54283.84766	36155.47266	38302.63672	69151.42969	44934.94141	45304.79297	81969.54688	50579.07031	40327.22656	65154.13281	49057	107518.5234	210692.25	41373.70313	82855.82031	81536.46094	40606.90625	75087.64844	83342.30469	46517.85547	58754.5	86273.24219	46237.32031	38675.58594	62786.88281	40360.81641	35502.23828	80400.95313	46449.72656	38759.81641	80432.23438	32830.52344	39710.10938	86374.54688	48619.58203	59020.69141	56020.47656	46157.125	75872.5625	53564.05859	49000.26172	77569.39063	74157.57813	47862.98438	63862.48047	93021.41406
[SP (14:0)] 1-deoxy-tetradecasphinganine	191512.0938	262471.5938	297085.4375	234185.0781	222603.375	179505.7344	289811.7813	367609.5625	304407.7188	228178.2031	329015.625	327508.9375	154691.2656	215325.9375	256123.6875	131669.9531	286012.0313	372111.5625	282979.4375	257455.4375	275844.1875	273188.875	175694.7656	307083.5938	208070.75	243818.5	369831.7813	133368.375	238699.8594	261172.0625	222973.2656	258853.9844	387983.6563	156209.9375	175803.7188	337161	333449.4375	241416.0938	287363.4688	190727.6094	244383.8438	222256.8906	259117.625	205652.75	379647.4688	270136.1875	294129.7188	221884.5938	262862.0625	225661.5625	245377.8281	227085.4375	187852.75	214574.1094	307617.75	203915.0781	260798.1094	332039	332624.5	354321.0938	123912.1484	261237.5313	347598.0938	162689.25	371676.5	328373.8438	160422.5156	265114.7813	151553.7813	204481.6406	174221.0625	149215.0938	164790.9063	312149.4063	207144.625	198940.0156	204077.8906	316749.5313	223374.8281	277859.8125	227352.9531	152472.7344	206688.5	339467.375	171025.9375	193804.5	245378.4375	199682.8125	272037.8125	220368.5781	235738.3594	194608.3906	277746.3125	231038.3906	151348.125	284023.0313
[SP (14:0)] N-(tetradecanoyl)-1-beta-glucosyl-sphinganine	266176.5313	236730.8906	250653.5625	339566.1875	323312.5313	317400.0313	473391	328774.25	308179.875	302871.75	268481	288383.7813	243837.0156	274064.4063	263945.25	275794.375	278347.8125	326114.5625	256023.4375	284749.8125	289133.1563	288748.5625	285643.8125	265274.9688	243513.625	296980.375	266125.3438	282184.8125	298607.4375	215349.0938	316907.0625	322770.6875	281065.6875	301152.1875	287054.3125	259370.8125	340034.9063	328602.7188	269000.1875	269525.0625	267383.4375	252270.5938	277874	259374.8438	244917.0938	267940.7813	289182.7813	293312.75	282357.8438	352199.25	263840.0938	266661.8125	259042.2969	228827.1406	312930.1563	284996.9375	289522.5313	378655.1563	296846.5625	294890.375	289659.0625	294645.4688	302723.0313	257845.2969	262172.8438	258098.6094	254929.9844	274075.375	256146.5313	273483.125	300557.0938	211822.125	262248.4688	291682.9375	235296.9531	306244.6563	307650.1875	361961.0938	250653.3125	310924.2813	231649.2656	250460.7344	290617.75	290734.7813	282976.8438	248432.1563	263976.5938	336815.3125	245044.7969	238590.6875	284658.2813	300815.1563	270146.7188	299544.5	307347.5938	266590.5
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine	87646.97656	80304.67969	235259.25	85412.57813	86916.9375	267129.9688	79824.92188	81330.30469	218019.375	71348.92188	108789.8359	245404.5625	69434.89844	106027.7344	139958.9531	87783.9375	80397.38281	210962.75	28674.14063	120092.5	234189.2656	88968.60938	122065.8516	220352.3906	78925.64844	111784.4844	205891.6875	59758.26953	78751.78125	245287.8594	74941.80469	71783.89844	230818.8906	105030.4453	71752.16406	215332.875	117114.0938	83085.99219	283628.6875	78078.875	81395.39844	264569.5	97773.76563	100738.0625	220207.9219	74619.875	91033.85156	211248.375	107170.4141	82691.97656	249046.3281	65162.51172	81293.25781	261729.1563	95411.50781	82675.42969	275993.2188	98296.86719	113739.1172	253958	74375.98438	100316.3281	138255.4531	57527.33594	85405.63281	271489.0313	86965.77344	86053.58594	146458.0313	67486.89844	86775.35156	270010.4375	70869.75	89790.67188	279373.125	70379.32031	91355.59375	290537.9688	81850.55469	92838.1875	209594.3906	76167.76563	78439.36719	234391.1875	44499.52734	92005.83594	246499.6719	86418.11719	88479.47656	210933.125	109873.3281	76032.96875	215635	70048.24219	79677.26563	233668.9688
[SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocholine	162045.4375	193472.5625	328722.4688	143797.7969	195445.1406	245637.5469	159206.3438	130090.3438	189966.3125	169143.4375	158269.1719	215160.1719	124487.2734	182039.3594	186285.7656	174441.8438	207818.25	259679.7031	74019.09375	267773.1875	284227.7813	277560.5938	172282.2656	281936	129314.9609	332532.75	198204.2344	167061.7656	180872.3906	195246.9219	120250.3672	153219.1094	195412.8906	155217.7344	119155.0781	227997.7344	190619.7969	220908.6719	223439.2969	144882.0313	203639.6719	208337.375	192636.6406	227287.3125	228166.5781	181530.6563	175936.1719	204733.8594	177651.6563	129360.4063	206534.9063	163820.7813	152790.0156	224400.2031	184338.2813	186201.9219	342374.0938	187633.625	185049.25	238997.5469	119841.8594	199160.2813	38381.14063	157365.8906	189761	242628.0781	164320.3281	296127.2188	233571.9375	143900.75	214666.6719	234576.2813	127466.3203	201105.8594	234474.7031	145994.25	186696.4688	210984.8906	141007.6406	148416.8438	213615.4063	178262.375	151358.1563	244865.6719	133828.0781	221230.7969	162214.7188	189241.2031	202132.125	188139.625	203870.1406	234829.1406	222879.6719	177437.8594	189160.1719	232644.5469
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol	1887895.5	2492874.5	2339043.25	2147633	2471410.5	1978902.25	2579662	2235953.25	1881307.625	2997350.25	1904895.875	3539176.5	332889.9063	1248313.5	2000002.125	1536366.5	1950036.375	3906394.75	1080763.5	1517738.5	1002098.563	948486.875	1050210.375	1294601.875	757683.9375	2447584.25	510417.3125	1848956.375	2682003	468578.3125	1679233.5	2560572.5	2436630	1917166.125	1866741.875	2324189.25	3823249.5	2858451.25	1316202.625	1431461	1838344.75	734664.375	2584175.75	1632942.125	3221294	1779905.75	3289713.25	2466951.25	3135921	3139087	3854186.25	1783494.375	1423678.5	2969421.75	1804059.75	1002884.188	1379557.75	1585242.125	2951681.75	1934550.625	931525.125	2550273	3811597.25	249113.0625	662573.875	241839.5938	1362949.75	2588654.75	2133435.25	2243016.25	1025241.625	1930672	1410242.375	1398629	2466197.75	1445133.75	1781772.25	2733539.25	2059396.375	3634330	2215828.25	1529736.75	2759659	2706032.5	1464797.625	1835516.625	1687859.625	1548080	1578705.375	2386579.25	1809622.25	1367335.875	2221336.25	1219649.5	1357346.5	2933267.75
[SP] Pramanicin	249638.2656	234442.0313	254942.2813	318028.9688	289092.1563	264105.0313	269752.7188	212224.6094	260536.4375	270512.7188	257569.375	286183.0625	250122.5781	251753.2969	283348.1563	302646.9688	234147.9219	257876.5625	248049.7813	227711.5625	239452.9531	304592.0625	249988.2188	234408.6406	262778.2188	250152.7656	247827.0469	244746.375	255250.5781	217028.8125	235692.6094	253900.9688	271947.7188	243942.8594	253481.3125	247350.9063	264070.3125	241144.0625	249606.3906	282674.2188	264904.625	278966.9063	258370.9063	237983.7031	257114.8125	272408.4375	274202.75	239441.3438	260853.4219	255992.6406	264041.7188	264811.5	278298.0938	258648.0781	284750.5313	256635.4063	232894.4375	247582.2969	271067.8125	251938.9531	237720.0781	238529.375	225067.4219	304566.625	253276.5313	265488.5938	257476.3125	250031.875	254142.2031	244636.7813	274929.75	249533.0156	274359.875	266990.0938	232309.4688	313286.4063	273681.75	236932.9688	262212.9688	308833.1563	256909.375	238292.6094	252271.0313	257473.8594	246424.6406	208516.2656	270692.4063	253560.7188	223176.3281	267794.9375	261194.875	230559.75	248772.25	251647.8594	259285.1094	285405.7813
[SP] Sphing-4-enine	57072.98828	60013.34766	247006.3594	80867.49219	67886.17969	330504.0313	83544.78906	91451.86719	443428.9688	76158.35156	95603.10938	463770.3125	57486.64063	118238.3203	296770	100507.7656	98609.71094	402068.0938	95458.83594	129167.5469	445671.0625	120563.3125	148920.2188	518201.2813	49803.10547	55484.26953	245399.9844	78173.89063	85657.41406	282766.2188	46491.01563	52905.35938	297685.6875	55761.23047	68996.71094	280484.8125	65755.32031	85148.55469	329779.75	45393.75	68486.32813	404382.5938	106518.5391	121778.6719	444555.8125	127967.7578	170337.8906	525784.875	94243.03125	87784.80469	292357.4688	74231.75781	60953.83203	296323.6875	67870.08594	76636.5625	368086.5313	63769.8125	92472.90625	343066.4688	51804.05859	85114.75781	401246.4375	60368.3125	110744.5703	435515.4375	71454.11719	131230.0156	414332.9688	102273.2422	147328	533211.875	81823.72656	68045.13281	331047.6563	66328.97656	54975.46875	311626	59544.26953	55127.32813	300752.0313	68108.10938	72960.13281	374478.7813	57502.08594	87444.42188	300249.2188	82418.3125	116510.125	366975.875	102026.0313	116219	472825.4375	118098.7188	127370.1172	542348.375
[SP] Sphinganine-1-phosphate	45541.07813	15501.67871	240716.0469	79238.13281	13900.00293	310009.4063	106225.6797	36361.64063	506045.375	136444	49935.04297	567974.75	74143.03125	90151.70313	375225.5313	61921.87109	119312.1953	349904.0938	79378.64844	125174.1406	256788.875	112170.6172	110419.5156	321851.5	58203.83594	0	235668.6094	58507.78906	19212.81836	389473.9688	65635.92969	57334.85547	423367.25	86123.36719	52019.43359	752405.125	75499.84375	202492.0313	392441.875	103568.6641	131901.25	260065.75	65305.48828	118173.4688	317664.8125	93910.15625	140064.7656	453707	110983.0234	25179.11719	242381.0938	55715.54297	36442.60938	307351.6563	76587.01563	29522.77539	408478.5938	67733.28906	96377.5	588033.4375	46733.125	157518.125	600673.5625	39208.60156	102645.8672	350156.8438	32244.61914	156453.2031	379976.0625	139140.3438	322232.6563	408147.125	108472.7266	40405.88672	113102.9688	91565.19531	44834.14453	316176.25	139148.1719	38552.26563	337666.0313	171600.1406	69049.78906	886137.75	105529.0078	130805.6172	292364	65331.38281	106615.9453	254421.5	54883.82422	122936.8203	299204.9375	94942.86719	166701.9219	445700.625
[ST Trihydroxy,ox] 3alpha,7beta,12alpha-Trihydroxy-6-oxo-5alpha-cholan-24-oic Acid	582506.9375	438590.5313	512663.9375	484903.4375	612683.5625	504785.5938	501325.9688	445214.75	586397.4375	463363.8438	456581.5313	500727.9375	470136.6875	322518.6563	487434.1563	384726.9688	455634.8438	445035.4063	338544.5938	498578.25	713610.5625	517791.625	467555.625	490468.75	391336.1563	561839.6875	454884.8125	380863.6875	402180.9375	548553.3125	460459.6563	270869.625	584680.9375	459012.5313	424209.2813	707208.5625	591883.125	502197.7813	658268.5	563376.9375	457963.5	377324.5938	565463.0625	608790.5625	567144.5625	423911.9375	589271.25	627960.4375	589003.4375	678347	707260.9375	360007.5	468323	543791.375	622228.375	497992.25	596285.375	409686.7813	462607.625	463821.5313	320844.0938	611044.875	418066.0313	297688.9063	527714.3125	673048.25	298984.7188	504599.8438	550758.4375	330970.9375	667032.3125	534604.5625	453483.6875	656157.3125	632763.1875	591411.8125	508518.9688	566134.25	468856.5	398592.875	570370.875	386235.1875	441893.9063	381460.5	473138.3438	548936.0625	650624.0625	544831.5	348001.5625	272023.0938	420950.2188	603502.375	656610	392578.5938	691193.75	616129.8125
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene	276977.9688	421955.5	233217.8438	544965.8125	350309.9688	479130.75	249778.8906	379889.7813	244746.1719	263574	409279.8438	355605.9375	317717.9063	1517756.875	508709.5313	385160.4063	289753.1875	374297.5313	387155.6563	254068.8594	279002.7188	463727.5313	693954.625	349681.9688	417091.4375	494809.75	420143.4063	270283.8438	165392.7031	1086509	197743.1563	384576.4063	431928.7813	261375.1094	250196.2969	229230.8125	304729.4375	300694.875	201089.8438	359748.5938	936377.8125	971474.75	898719.6875	615637.875	535721.6875	644301.75	520948.0938	457239.125	587968.1875	741233.125	370590.8438	467314.1875	456826.8438	344706.6875	1196286.875	300636.125	849421.1875	360096.7813	376617.6875	774472.6875	218176.7656	418691.4063	496299.25	559794.875	298949.0313	469019.75	297817.5625	732876.375	685358.875	591987.1875	403286.2188	317951.4375	353731.0313	172978.125	426302.125	277337.875	436782.5938	343321.0938	216410.875	137812.5313	428045.4375	228110.9063	220425.5781	574380.875	727594.375	754572.0625	936207.6875	482180.6563	383613.5938	506876.2188	578990.625	235475.8594	1012331.563	297618.5938	270405.9688	449959.1875
1-(11Z-octadecenyl)-sn-glycero-3-phosphocholine	50871.32422	79985.72656	71954.84375	58255.84375	74532.1875	81383.41406	68202.75781	64936.46875	86347.97656	49254.90234	77121.04688	87809.89063	63511.04297	74786.82031	83316.49219	59760.53516	112423.6328	98537.90625	76814.07031	113995.7734	132988.9844	84893.91406	96476.32031	77616.88281	49200.1875	70065.51563	96004.34375	58964.93359	77817.67188	81658.6875	53199.78906	63387.36719	110839.7109	59350.61719	64660.01953	108544.0547	87221.32813	106065.6797	52234.10938	98091.96094	108448.3516	92089.13281	78639.46094	141505.5938	90099.23438	95125.34375	92749.84375	83630.28906	69006.50781	65779.82031	78064.10938	47255.50391	86530.97656	82658.17969	66193.53906	81691.85938	81937.91406	74981.11719	69452.29688	89134.09375	58555.75391	71966.89063	134451.9531	59741.11328	79044.66406	94278.6875	40258.99219	91684.30469	48670.82031	51980.875	93364.23438	87009.75	78554.85156	76920.625	73001.125	72181.125	51188.01953	95794.36719	60985.30078	55106.96094	72717.74219	42320.05078	109736.0625	83155.86719	83690.22656	66826.29688	58030.98047	95094.65625	101092.3672	71183	89221.15625	67611.4375	85896.51563	85528.33594	94303.72656	79210.53125
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	127097.4609	120736.3906	121122.4922	151699.2813	141981.5156	169739.5156	154068.3281	129947.1172	131536.0313	185615.9531	90051.8125	166487.4688	38830.61328	59395.14063	23522.04297	34067.94922	50941.6875	27644.2832	30447.14648	56557.48438	29292.2832	53757.18359	67527.16406	34696.99219	89931.46094	106933.5625	137749.6875	179272.7656	154821.75	145860.5781	195248.1406	208552.7188	211930.7031	467350.25	262480.8438	327126.0625	59893.67188	41698.71875	34173.5	45365.20703	49560.71094	26441.71289	43913.51563	56731.80859	37610.49609	49938.01953	58643.80469	24365.47656	135685.6563	128622.0156	152428.625	128390.1719	135460.125	155634.5938	236813.4688	144982.8281	149247.9375	187018.5938	156499.2188	152677.9375	19311.43164	48637.64453	24797.74609	47110.60156	59085.52734	31344.25195	44072.92578	64980.01172	28511.80469	51167.18359	48344.8125	36493.46094	146685.8281	170361.7344	137066.25	132001	96984.84375	169348.4063	269188.7813	104548.3281	132060.9219	166706.7344	172734.9219	152840.5156	23983.33594	44028.14453	27835.82422	43288.42969	49386.85547	19279.02344	46922.69531	56290.57422	27175.84375	52138.78906	47284.74219	38790.16797
1-(O-alpha-D-glucopyranosyl)-3-keto-(25R,27R)-octacosanediol	185268.7813	261370.5625	271192.5313	161671.5313	214507.6875	290794.6875	287986.125	237501.7344	297672.5313	210503.9844	243776.375	186880.4219	278318.6875	194626.0938	197110.75	249373.8438	217286.125	251195.9375	150091.3906	302416.5	264517.7188	256161.2188	224680.1719	288991.1875	209321.4844	160404.8281	238457.3281	159751.7031	208008.3594	245217.4219	239029	179870.4844	407478.9688	176098.9063	222161.3125	361125.9688	184741.7188	228372.7813	284013.1563	179521.4219	250612.9219	292981.625	132257.7031	235591	207529.8594	145591.4219	292308.375	295789.9375	192774.8906	279200.8125	333436.0938	211143.4063	211162.9063	233216.3594	261232.8438	210642.3594	283379.9063	228652.8438	296507.4375	253842.25	190878.8906	240437.7656	187964.8906	139247.6719	211834.2344	320745.75	137044.2188	233061.6406	334400.9063	181550.875	298298.3438	276941.3438	171743.4219	229263.1094	230873.0781	255249.9375	294571.7813	266354.875	294251.5625	202747.8906	376942.1875	239880.6094	197323.8906	300057.3438	172557.875	215347.9688	229718.7656	358562.625	248245.4375	217217.0156	192024.9531	217128.8125	241911.0156	225466.5156	303639.7813	393142.4688
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one	18989.41992	7394.906738	20034.61719	29182.44922	16399.76953	20565.75	37418.91406	19947.45117	41767.46484	64756.74219	30617.64648	23567.38867	0	0	0	0	0	0	0	0	0	0	0	0	19625.0293	6839.779297	8434.388672	95150.20313	39893.52734	81859.57031	151572.0781	73227.73438	168377.5625	191728.75	145651.1875	187247.0469	0	0	0	0	0	0	0	0	0	0	0	0	16392.80273	0	13897.25	42675.01953	27746.18555	35211.56641	49561.32031	31297.89648	35287.6875	57273.94141	31864.21094	27497.69141	0	0	0	0	0	0	0	0	0	0	0	0	20326.62109	11543.26758	14779.46777	56167.25391	29018.91211	40518.10938	69400.08594	45302.97266	44643.05469	75211.53125	41642.1875	55101.125	0	0	0	0	0	0	0	0	0	0	0	0
1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha- D-mannosyl-1,2-alpha-D-mannosyl-D-mannose	69186.83594	79571.86719	23920.23828	69009.32813	80132.875	22578.5332	78158.76563	67657.88281	28466.08008	75885.78906	76058.60156	22837.5293	78994.75	92239.77344	29434.7207	129773.4531	93207.50781	24378.49219	96907.25781	110442.3047	23896.44531	130118.7188	118978.1172	26136.43164	56678.87109	82263.49219	21527.70313	64310.45703	69120.82031	25639.83203	81774.16406	82492.03906	21224.81641	93178.78125	76883.64063	21538.70313	92206.00781	102900.6953	23725.69727	108360.7344	117938.0234	28440.35742	92749.33594	92742.09375	24046.23633	125801.0625	167686.75	21422.38281	89374.96875	54136.68359	21594.92383	75301.09375	71961.94531	22271.9375	118456.3203	81375.50781	18774.06445	73627.27344	81783.74219	22170.74609	81190.35156	119693.9219	40851.85938	92398.42969	107940.7188	20064.3418	86193.00781	88986.54688	24964.73438	111041.4219	142473.2188	19270.65234	66014.8125	62549.76953	22378.60547	68701.58594	73533.125	29161.19336	75732.32031	66997.85156	20295.65039	75339.1875	86087.82813	22571.57031	79579.57813	113124.7578	19800.25391	94270.88281	101268.5938	19215.32617	111327.1719	111562.6094	27164.99609	104931.0938	128250.8906	22920.44727
13-14-DihydroPGF-1a	699847.375	4699343.5	75818.85938	234041.25	4134851	10167858	670205.6875	161807.5469	1134948.25	681922.5625	48808.03516	499433.25	9610646	111220.1953	495224.9688	585196.5625	3186978.5	2100577	0	5427269.5	5566592.5	4624697.5	397798.0313	2133266	8447399	1035652.5	16868166	759297.75	139515.4531	23022592	2296451.5	316402.125	4386458	3964032	3994480.5	283246.2813	501853.625	1177060.25	8229370	41551.62891	1152985.875	8217935.5	517459.75	9601652	321134.375	3686832.75	504240.0938	123103.5938	1476086.5	231776.2031	571719.5	1083032.125	5340881.5	830786	2686638.25	153476.7031	212625.25	265302.5313	349817.1563	306794.9375	5028859	217776.4531	10695235	255984.125	16607731	13180917	638888.625	3307225.75	2954377.5	921297.25	12106457	1203914.125	943500.25	6753100.5	3111858.25	803532.5	3462066.25	3393060.5	837896	1129624.625	762536.1875	1717831.375	868762.1875	87927.85938	56456.70313	4885402	282564.2188	99845.23438	6524693	2076814.125	1835757.75	269485.375	2088911	4895661	862431.5	475949.875
1-4-beta-D-Glucan	97828.64844	100735.6875	575022.75	165635.7656	72897.72656	156880.5938	94385.96094	93748.47656	329548.5	125921.875	81188.48438	721492.125	61618.01563	107606.3047	601199.9375	82320.71875	148345.2969	556015.125	174143.4531	89825.02344	80368.55469	86534.33594	62240.49609	147936.0313	58750.38281	138229.8281	118469.2813	99630.40625	85426.51563	130805.7188	56229.8125	52602.6875	255546.3281	77196.38281	106890.7188	408961.625	88523.98438	102751.2344	145006.3594	107369.4063	63678.25391	390934.1875	147395.3594	99026.21094	368726.9688	124193.5078	155099.4531	453411.5938	271089.4375	114925.1172	218890.8125	194383.0156	37497.89453	192582.1406	111012.625	128545.2578	617496.9375	513851.4063	103791	767005.1875	101879.1484	740251.4375	3609009.25	74111.01563	68511.78906	150430.5469	61910.92188	87214.51563	154623.3906	57947.72266	57965.73438	196920.5313	160929.4688	302219.125	115952.4766	169880.8125	127269.4063	350379.0938	103278.8125	76385.25	54931.43359	74682.57031	122228.4688	101568.7969	127612.2031	82740.4375	261035.8438	117696.2578	86528.58594	217583.2031	203230.7031	111605.1406	337315.0313	75804.58594	116736.8047	205929.7344
2-(acetylamino)-1-5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	101881.4766	96496.50781	53049.07422	113964.8047	109260.3984	54284.54688	135687.2344	125564.2813	50094.03906	121617.8047	114029.5	53831.26953	155366.6094	155949.4688	49689.59766	169394.5938	137945.8438	60197.33984	145061.9063	176932.0469	68448.89063	129204.625	149684.5781	63094.75	96084.53125	98014.25781	62593.43359	112546.1797	110342.0859	54482.34766	121972.4609	98202.94531	50733.98438	116706.6328	103015.3984	49764.23047	165225.0781	137384.7031	66776.46875	159400.7344	150524.2656	48825.98047	156908.2813	154103.9531	53000.125	175618.9063	203380.9531	61239.25781	130653.5781	90578.53125	40676.01563	152961.2344	110891.7109	60556.15625	124103.6953	131053.8359	42747.33984	149418.2969	95520.32031	52977.40234	171449.4375	158311.5313	71006.67969	161973.9063	185386.1875	56291.15234	215383.9063	175167.4063	59453.39063	141627.5313	165425.4844	54724.16797	126455.9609	106242.2813	44191.95313	107648.7969	70364.92969	66191.17188	106816.7969	102395.3047	51169.92578	127185.8281	104151	48303.42188	140583.3906	157001.0313	52162.75	151401.875	157441.3594	65970.75781	168238.3594	172887.8906	74511	154020.7813	196327.7656	69015.98438
2(alpha-D-Mannosyl)-D-glycerate	150269.6094	133550.125	61583.14453	213620.4219	149861.3281	44619.76953	259472.875	210789.1875	60075.19141	195759.2813	172203.25	74753.625	189624.625	175895.4688	74230.11719	225922.8438	234449.7344	57306.12109	172097.3125	192712.875	51122.14063	216545.3125	168074.4688	61698.68359	158568.5156	184543.3125	87083.13281	222628.4688	152843.9531	65677.85156	161860.9063	148617.7813	53018.30859	248335.3125	194398.1094	47385.12891	192187.9531	217695.8281	68282.21875	164227.4219	233035.125	69556.44531	199881.0625	227631.9375	76426.14844	262154.9688	174273.4375	56943.78906	173874.8438	136256.9219	65476.68359	147993.0469	160497.3594	55862.68359	195336.4531	156346.9375	56336.38281	200451	184041.8125	52026.88672	148635.9063	208458.7344	73166.48438	161110.125	180600.1406	53786.84766	153334.0313	219956.2656	58086.78906	191075.0469	214922.9375	58251.625	222142.2031	113561.5625	77914.17188	202609.2813	172665.5156	51567.20313	195768.1406	157589.5781	48490.98047	155893.2031	175676.1406	64645.75391	142954.3906	255649.8125	94423.04688	203637.5938	228080.0313	62482.96875	169421.6563	204141.4844	61133.16406	204781.6094	170185.9531	51814.1875
2,3-Dimethylmaleate	93012.35938	98578.00781	53777.49219	91994.63281	70878.35938	166736.9844	100390.2734	101292.5703	119407.1406	137605.875	73302.83594	97046.65625	260407.3281	396147.2813	444459.6563	504582.6563	621507	574012.1875	851823.5	706132.0625	786997.5	750180.5	875765.125	782801.6875	98806.32813	153680.3594	198763.5469	204459.1406	59128.29688	134221.2813	65613.49219	117533.6016	77721.45313	124688.3203	160274.4844	112981.3984	316791.6875	446668.9688	434000.2188	629882.1875	609450.4375	582166.5625	675542.0625	774274.9375	794608	803755.5	947739.3125	857248	73361.58594	62951.3125	109631.9141	91783.1875	129458.9844	178582.1875	99820.54688	97459.76563	102776.0547	82420.22656	93736.64844	95523.30469	298145.5938	511954.3125	599758	453224.125	721213.125	619599.3125	557867.625	747540.0625	715879.5	753015.3125	798453.1875	885581.6875	166792.9375	14363.67773	29267.87305	146856.0313	98284.14844	143878.1094	85336.96875	119901.7109	118672.7578	72129.625	99482.34375	75121.42188	408311.2813	603511.5	391427.7813	586822.6875	860750.9375	653646.5625	656982.875	1025654.5	784434.9375	646837.8125	939539.0625	911962.5
2,4-diamino-6-methyl-5,3'-(2-trifluoromethylphenoxy)prop-1'-yloxypyrimidine	82395.95313	93332.71875	115792.2813	103183.3672	76682.59375	134100.3438	112918.1797	75758.00781	117078.3672	89840.63281	83184.36719	110849.3047	100412.4766	118115.2266	146368.2188	159593.2969	123189.2031	124360.6953	150736.1406	175067.7813	171890.3594	132731.75	136806.8125	110929.4531	89131.91406	71372.8125	111629.6641	84408.90625	91929.74219	99242.27344	84006.90625	93576	126973.7109	104446.9063	98027.17969	114657.9688	116582.7891	117257.875	122103.125	165660.375	162176.3594	115587.4609	110863.9141	148707.1563	124141.9609	170608.0781	159179.4688	119588.8516	94311.53125	90513.60938	89189.54688	81545.30469	105974.1484	102576.0859	105707.0859	100925.2969	111594.3594	101969.7344	89007.94531	104473.0469	130901.1016	128411.1094	228617.4375	123864.8828	148622.6094	130169.7266	110063.2891	143368.4688	127607.75	125793.2266	145555.2969	128660.6406	124094.0625	89646.17969	98383.11719	87326.22656	85390.78906	112904.4688	106335.8281	78814.47656	108774.8984	105279.4531	89793.82031	101077.7578	137884.5	139481	103019.5	131181.8125	137513.9531	148986.9375	127071.1094	125584.4141	120081.0938	130821.25	145512.9219	125593.6797
2-Amino-2-deoxy-D-gluconate	26176.3125	23939.11719	51178.03906	31791.77148	24732.38086	36927.04688	43034.80078	20646.20508	60584.87891	28568.47461	26604.92578	78125.34375	70444.67969	92172.10156	78741.03125	71518.9375	89603.49219	98609.79688	46297.1875	106168.0313	57352.41016	78388.46875	92589.35156	53845.25	25455.41406	17905.45703	50513.27734	36723.72266	21304.74609	37904.4375	39852.17969	24871.45508	75867.10938	25783.49219	27818.92773	33415.99219	66840.54688	71700.29688	123479.2891	88263.41406	85368.64063	53633.6875	57883.81641	80698.19531	96142.71875	61596.32031	77006.01563	50484.00781	24296.82031	17235.60938	36123.34375	30765.62695	32612.32617	71385.78906	31732.12109	17910.29297	32999.07031	40112.375	23320.2832	52982.28906	51588.66016	76032.07813	161359.375	82077.49219	71956.60938	68748.97656	66626.69531	93515.64844	67228.65625	38297.29297	67644.57031	64753.49609	37214.1875	19277.03125	45447.97656	29331.65234	26435.15039	64737.96094	37253.51563	30611.37695	38853.97656	28040.81445	19150.57227	65443.52734	62833.17969	53817.87891	84405.11719	69983.49219	80626.67969	64192.52734	70260.10156	77641.28906	120983.7109	92024.07813	59745.87109	80638.39844
2-amino-2-deoxyglucitol-6-phosphate	37265.04688	29489.16602	202082.625	51804.42578	28744.42578	185986.2969	69800.8125	34115.41406	296671.9688	46951.56641	63154.98828	296162.1875	198646.8906	163563.0313	345698.6875	189518.1719	214074.9375	272958.375	119440.9063	252600.75	252801.3281	168042.1094	139994.8906	305764.3438	50316.33594	30522.53516	188501.6875	62829.07813	28930.60742	277578.9375	75951.79688	53562.14844	296044.5	92253.33594	77022.89844	261522.7031	198279.125	247039.4063	408481.6875	145712.1875	205969.125	304854.8438	212955.9219	193878.25	274639.0313	265864.6875	205162.8125	229734.5	49083.64844	37946.64453	267109.8438	35979.19531	36590.45313	269391.3125	61996.16016	40483.71484	231925.9063	75433.14844	55540.80078	222991.5	161122.6406	234305.6875	675940.375	132149.875	155551.8438	194723.6875	158893.0625	177208.0781	253158.8594	159306.6406	156032.9844	240925.5156	59402.10156	26071.67578	206610.4531	63850.38281	29736.26758	277211.5313	75673.58594	31001.26172	211086.2344	72293.8125	54819.01953	248009.5625	129147.0391	202766.4531	437599.7188	193863.9844	252076.5625	364103.4063	146159.4688	162118.8438	233461.6094	195471.2344	151554.0625	304269.3125
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate	56651.12891	50987.53516	33167.86328	74143.32031	48129.14063	68842.20313	52443.54688	62621.98828	40500.74609	45307.49219	76998.64063	46552.69922	54420.13281	76394.21875	38425.91016	61646.20703	99214.0625	32379.91406	90562.11719	92597.21875	50636.17188	90515.14844	132904	49443.53125	45281.33203	50157.14063	46198.78516	67684.70313	54492.17578	38777.4375	41235.17969	54770.78906	44182.4375	61777.30469	82668.625	43296.84375	54522.47266	82255.25781	42783.08984	71191.08594	93340.48438	36790.15234	77039.10938	96994.86719	33615.66797	119056.6328	152698.4375	44740.64844	58369.53125	75696.04688	39599.79297	49049.48047	60368.14844	35565.62109	51335.36719	63934.55859	37323.29688	62313.41797	62718.40625	46354.23047	52829.76172	76401.78906	61558.17969	67280.53906	116699.5469	37188.83203	65961.17969	108750.2188	42227.05078	100163.0859	133194.0469	40709.44922	60231.42188	45831.99219	35329.82031	64821.19922	80104.82031	45257.69141	68034.74219	60350.89453	41268.21094	61626.08203	76445.45313	33466.41797	68746.89844	80340.89063	30130.61914	94433.44531	90471.89063	38623.82813	97204.52344	123861.0781	39562.67969	80457.24219	148887.8125	48374.05469
2-Amino-9,10-epoxy-8-oxodecanoic acid	38423.28906	37882.57813	76011.50781	56516.72266	42347.70313	59338.14453	58926.61328	37221.21484	50123.30078	52945.90625	44625.17188	70626.78125	73692.96875	67259.86719	70951.42969	79923.73438	57709.15234	81003.44531	59274.40625	62796.75391	87357.02344	52846.21875	41636.89453	78231.35938	51949.91016	35192.01563	42824	40797.31641	38054.26953	94395.61719	42659.00781	47426.47656	88340.375	61721.44141	52090.19141	72048.52344	49881.33984	60406.44141	66691.46875	63460.95703	69735.73438	68552.53906	65029.45703	94657.92969	76812.84375	83524.1875	69767.8125	81530.03125	48570.62109	48260.29297	77017.60938	41224.19141	47476.82031	71874.52344	63899.625	47601.8125	79124.74219	40675.46094	53709.19531	69251.61719	38934.50391	86097.71094	111356.7578	50654.875	67493.875	72125.07031	65314.55469	65894.92188	63079.10156	46930.86328	75993.6875	73525.96094	46158.56641	51766.73438	69380.57813	55022.73047	44852.15234	109659.4453	56508.61719	53203.12891	52439.125	67228.74219	41331.96484	65638.17969	44125.80859	71909.53125	94815.32813	52183.70703	65367.77734	76468.1875	49083.37109	96572.41406	72554.57813	76666.57813	70451.51563	61517.85156
2-Aminoacrylate	91645.72656	89106.34375	76724.64063	73608.00781	78117.54688	147780.1563	80233.42969	77527.10938	88102.64844	73347.25781	70978.60156	96571.95313	68376.4375	55407.84766	57634.71094	74588.04688	86373.25781	75785.29688	258981.7969	275368.3125	75556.98438	108905.9453	79808.89844	75244.91406	65378.56641	59709.30078	84061.60156	55170.35156	67944.125	69653.22656	77661.14844	56969.625	80341.28125	80146.65625	68265.57031	79706.25	234956.0313	205459	73106.97656	62399.5625	72703.44531	54845.76172	71219.34375	83401.04688	64854.56641	96204.35156	71814.625	79551.53125	83854.75	50974.16016	70579.32813	54395.95313	88736.67188	68764.39844	75993.60938	76955.64063	83639.8125	86666.66406	57764.34766	63588.85938	49944.28516	59790.08203	111555.4141	219953.1094	266858.375	90690.79688	292685.9688	309770.3125	96082.03906	80217.32031	70806.63281	110682.9531	75946.73438	70509.71875	83204.67188	89879.94531	50978.61719	141802.8281	95003.39844	62551.98438	128807.4844	84759.16406	74654.32813	74243.90625	61111.40625	228872.1094	65156.48828	84133.61719	97568.74219	90163.11719	54401.48438	73263.60156	81306.16406	88386.9375	73534	71137.20313
2-Aminophenol	139449.1563	94367.03906	190618.7656	0	101898.0859	168874.7969	156449.9688	182392.8906	160331.0469	165804.9375	165120.1875	175907.3594	134455.6563	154975.8438	181506.2344	76115.85156	201437	208439.1719	149662.6875	163916.2656	175527.375	103791.5469	151899.2188	0	165964.9531	173502.5938	219025.1406	157547.125	185441.2969	185493.9219	143890.4219	161221.7969	169336.5156	0	160606.875	178217.7969	118079.4531	179087.5625	196609.5469	0	198673.8125	166783.1563	0	137707.9844	169674.5	0	170575.4375	170010.8594	0	169680.25	158710.0313	127891.1641	115062.6563	170453.1406	0	182594.2656	203225.8125	0	153344.2188	168818.6406	121268.9219	131673.0781	120466.8359	137780.75	144839.2813	206248.3438	154651.4219	131483.7656	173961.8281	159886.7031	151268.5156	161983.4219	0	196597.4688	179935.6563	150428.2031	159611.9688	202420.0781	0	158800.5938	165073.4688	141908.2656	94656.96875	168415.6563	119440.3516	180292.0625	192991.5	89853.67188	129020.5703	176116.3594	0	159246.0625	174584.8125	0	153595.5625	155877.2969
2-chloro-3-methyl-maleylacetate	8897.868164	4998.675781	9146.99707	4462.061523	0	11648.30664	8258.492188	0	4654.555176	0	3721.580078	3340.500977	99667.60938	136721.6875	184475.0156	162892.125	206476.2656	213766.875	547822.0625	233760.5781	361942.4063	208575.25	373616.4063	204094.625	10042.98438	2824.221191	5185.591797	4526.72168	8054.914063	9459.387695	5041.098633	3717.424805	9739.610352	4101.054199	3559.415527	4821.97168	115194.0234	230939.9844	107658.7109	283484	281897.5313	248500.1875	239374.5625	321630	237334.375	349551.7188	560568.75	236398.4063	4624.751465	3861.991943	4612.261719	3942.783203	0	10669.05566	5548.445313	3738.222656	9384.147461	0	2594.279053	9191.254883	155125.1094	202744.3438	217316.625	178508.7344	216469.0469	199029.6094	185090.0469	226755.7969	357655.7188	239971.0156	360284.5938	178222.6563	11503.1084	4155.162598	8894.086914	10926.94141	5903.079102	4460.543457	8231.453125	2918.86792	9284.50293	10735.2666	0	0	204076.0156	162147.625	119079.1875	185435.9375	269092.4375	223154.75	223148.4063	287303.75	256763.7969	254681.0469	403494.4688	243332.4531
2-Ethylhexyl phthalate	947845.875	1539907	1386787.5	1046830.75	1546587.5	1483649.5	1285310.75	1246097.5	1659231.375	1288136.25	1046213.563	1436066.5	843121.5	1155693.125	1601950.25	1278671	1524922.25	1329960.375	1077835.25	1380493.375	1513048.5	1136670.625	1348012.125	1366452.375	789313.875	1210849.25	1821127.375	832386.8125	1340868.25	1613621.25	974258.75	1288373	1319394.625	1009295.688	1274264	1162197.875	1210512.5	1134887	1702060.75	1294159.75	1232627.375	1470755.875	1025460.875	1590436.125	1467944.75	1441928.375	1139107.5	1351130.25	1089437	1317960.75	1382645.375	1032548.313	1445347.125	1312549.125	947759.3125	1578360.5	1055055.75	1086178.625	1080266.375	1175188.25	825928.5	1374768.5	1325949	832890.4375	1046503.125	1363744.375	881218.75	1422486.875	1226125.25	1058494	1179001.25	1353716.5	1076354.875	1241649.25	1313197.625	1140300	1316657	1771380.375	1053455.375	1637066.75	1465292.625	845188.9375	1607118.25	1416036	990933.3125	1170779.25	1333508.125	1576125.5	1421960.75	1304983.5	1801668.25	1267426.25	1730046.375	1136797.125	1335998.125	1487032.25
2-Methylbutyroylcarnitine	67460.34375	68048.16406	145067.7188	71082.61719	71691.74219	150774.2813	83923.48438	69188.46875	160156.1563	69987.92188	58899.43359	162918.3594	138563.1094	173861.25	257186.9688	152805.9531	178006.6875	198953.3906	123453.6641	165899.1406	240524.5	134622.2813	133640.4063	207747.9531	62104.80469	51476.20313	182174.7031	75140.55469	56422.73438	152309.6875	77850.35156	59431.54688	140124.7969	68266.875	71754.16406	149676.9375	148008.5781	159536.2813	212864.4688	131834.5313	158739.1094	217238.4219	135860.7031	181281.2656	204994.2656	149394.6563	139059.3125	207136.3594	73550.03125	61127.69922	151992	68203.98438	62168.50781	149873.9844	68779.44531	59527.46875	146950.1094	79828.42188	57230.27344	154182.0625	115620.7266	149872.9219	370820.375	116989.6719	162509.0156	235307.9063	144729.5156	167239.0156	197741.1406	135684.1875	149814.4219	215030.9063	70943.10938	56145.45313	140942.4844	64858.49609	66415.625	176101.8281	75310.26563	69345.35156	140869.625	56416.54297	67792.53125	146781.3281	129892.7656	190521.3906	254443.6719	165556.9844	164244.9219	245509.2969	140889.5781	169194.7031	198194.1094	148546.25	158550.875	199384.1719
2-S-Glutathionyl acetate	32638.51758	25804.99609	22837.56641	49471.96094	29958.65039	40394.29688	37331.61328	26003.58203	34730.67969	31514.80273	26527.78125	21919.00977	55157.0625	72372.92969	49454.625	87455.20313	79309.95313	55004.84375	113615.6875	101156.8828	60329.6875	103415.7813	79628.46875	54418.23438	34534.05078	21624.25586	23814.53125	37272.94531	30196.98242	28134.29297	41125.53906	29462.3457	35159.33984	40698.95703	33310.72266	28830.25586	62972.75391	69080.91406	49187.51563	79105.125	90104.75781	47320.89453	121490.3828	82762.03906	56835.80859	107696.1406	111814.1406	52573.44531	32700.80859	27092.54102	27154.53906	31785.27539	36919.78125	32364.38672	39024.39453	41126.48828	32872.20313	49969.40234	32883.92969	30988.20313	52777.78125	87578.21875	57669.34375	42669.45313	99570.0625	49705.07422	69819.00781	118406	41452.07031	85831.46094	112770.9688	43654.03906	31277.61133	24835.79102	35602.6875	46194.98438	34671.49219	29982.35352	53473.98828	33267.08203	34183.66016	35966.82422	39504.19141	37689.32031	71178.625	79969.36719	38842.28906	89166.74219	94044.98438	43398.13281	83510.01563	115995.0547	61980.39063	98506.21094	116377.8438	63531.76953
2-trans,4-cis-Decadienoylcarnitine	90512.28125	89757.5625	78800.51563	99771.60938	100419.3828	99762.59375	85857.20313	93932.75781	92993.77344	99206.9375	93071.07813	101359.7813	69753.07813	100506.0078	119399.6406	112416	101505.2109	81475.0625	88659.04688	97450.57031	73160.5625	89290.32813	93436.39063	75077.27344	83874.72656	111255.1406	87489.83594	91531.45313	66079.10156	71952.69531	77903.69531	84491.64063	80378.625	88465.28906	84987.28906	94934.39844	82531.40625	105453.0703	83787.36719	71268.60938	93979.83594	114853.2422	95653.95313	94825.96875	82666.10156	89813.35938	85210.82031	80716.14844	75352.14844	67743.85156	65064.82813	62825.08594	91847.38281	96496.15625	88525.20313	99506.72656	85428.28125	96243.47656	82503.88281	82615.00781	92899.42969	90176.14063	90126.66406	78156.02344	93310.07031	90989.25781	66553.41406	77306.86719	82837.36719	75253.11719	103370.3828	57725.92188	93904.74219	86898.97656	78265.07813	83470.36719	91259.33594	88245.82031	97523.97656	98197.78125	85229.79688	82657.27344	82078.48438	111897.9688	70161.84375	71146.97656	120224.7734	92617.69531	92060.08594	87508.98438	90081.61719	90625.38281	85808.88281	92644.88281	88958.44531	93386.51563
3-(4-Hydroxyphenyl)lactate	110197.9453	103638.5625	88832.35938	123704.4844	100256.8203	109619.2969	100661.7031	111513.9922	116621.7109	119556.0703	111421.2969	127049.5781	74162.29688	119155.7578	132865.2813	115620.7578	117185.2266	109678.2813	111872.1406	103389.4766	98012.95313	102526.2734	138396.3594	117164.0469	93143.14063	147938.4844	119235.6719	133783.4844	81200.77344	101904.5859	92965.00781	103203.9063	101029.7266	115306.4922	98006.53906	120520	115313.0313	127431.5	102901.3047	78448.72656	105190.5469	120392.8906	98701.94531	101771.5234	93339.41406	110004.4688	96117.61719	107040.8594	105955.1875	84161.33594	85031.60156	88296.32031	108242.7734	112916.7891	116039.6797	119389.5313	106096.2188	105011.5078	99955.39063	85590.36719	94703.80469	128790.7422	112217.7422	92544.625	108210.8594	116791.4219	98492.40625	94409.42969	107550.2422	97882.89063	146799.3281	86591.28906	107042.2969	118562.0391	96909.17969	85658.85938	101827.3203	129636.3984	116024.1641	106556.7422	103898.1797	107508.7031	99688.35938	134624.5469	73997.57813	86611.78125	127675.6094	123037.1875	109871.0234	116568.6875	112070.2969	102864.8281	100134.8203	121795.6094	125767.9375	107305.5469
3,3',4',5,7-Pentahydroxy-8-methoxyflavone	390689.3438	259932.6719	164496.3281	214221.4688	184331.4844	180912.9844	119717.9219	285553.25	202201.7813	131203.7344	201560.9375	281787.0625	251326.8438	175929.1719	269023.5313	199214.3281	254080.125	320263.8438	339519.5	285136.9688	415280.9688	386174.75	303893.9063	447985.125	304804.1875	155459.375	174769.8594	365048.5	282386.9688	314326.5938	458254.5938	294643.625	253816.0156	159678.5938	372909.625	278370.4375	123254.0625	240440.4688	218125.7188	147594.4844	300140.5	356382	236401.6719	285873.2813	437445.5	181870.0313	360014.4375	382619.0625	156632.375	340596.0938	123324.7578	311183.4063	178508.125	186595.8594	236627.0469	291568.375	230292.5313	165987.1406	224145.7656	249696.0469	185969.75	243054.5469	257310.0469	282492.7813	228648.375	313251.8125	286810.5313	326083.5313	375517.5938	454889.5	358831.7813	332355.3438	225006.0313	276542.0938	151266.9844	259228.8906	237653.1719	233275.4063	160640.5313	210483.3906	213094.5625	344121.4375	157389.25	268465.6563	212263.7969	222574.8906	312459.4688	148128.125	177288.4063	363083.25	154848.2344	315674.4688	461083.5	288521.6563	418177.1875	480411
3,4-Dihydroxy-L-phenylalanine	38069.96484	41441.10938	219144.0625	318669.9688	272802.4063	156713.0156	149795.0625	458124.0625	199902.6406	175998.7656	199614.5	264679.875	102576.3203	629982.125	118263.1719	174223.6406	246491.0938	161334.7031	65402.89453	154558.125	45233.44922	225952.875	47520.55078	40695.66406	106003.4141	202692.4688	202487.0469	143925.375	275948.6875	164778.4531	25181.51563	24983.6543	46949.60938	191938.2656	169727.4375	174415.4531	156695.8594	245785.3438	152869.7031	132583.4375	196059.0156	254394.125	222118.3594	291427.4688	252935.2344	166582.5938	142783.5	144370.7344	51186.47266	386117.75	28779.13086	264394.3438	206756.1406	199772.3438	197187.0938	196155.0313	256085.8281	104322.7344	48660.53125	166239.0156	156049.0469	49356.58984	49465.92188	155571.7031	224331.0313	157788.8438	22915.55273	44161.34766	51309.10938	149444.4531	164210.4375	178316.4844	151924.4219	340447.2188	374696.0313	41530.46875	46619.00391	321324.3438	219806.7344	116577.9297	221699.2188	414929.8125	115720.4688	178981.6563	68859.0625	375350.5625	315302.1875	292589.2813	418801.0625	147860.0469	369375.6563	164560.1719	299461	97440.89844	128832.1172	129765.9375
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene	917645.6875	2702064	582033.375	729076.3125	2494426.75	3865041.75	1459871.125	942412.625	1311819	1870732.125	552625.6875	2019148	2324698.75	439842.6875	1668870.75	1089222.25	2474421	4272997	314102.8125	3310740.25	3591498.5	2133319.25	317148.625	2935662.25	1767805	911425.5	3785209.5	745907.3125	1042890	4002578	2498702.25	1463428.375	2586955.5	2511321.75	2357353.5	939333.3125	1395802.375	1592828.875	3421501.5	527937.75	1710031.75	4570735.5	1614788.75	4153632.75	1475184.375	3440354.75	1641257.125	1635151	1678958.875	1085167.125	1781961.5	887977.75	1729909.625	1461962.25	1149534.625	401439.875	628743.4375	715200.5625	1568154.375	865984.4375	1822228.25	1005555.375	5984207.5	330144.875	3424726.5	3642656.5	928011.0625	2737990.75	2852909.5	1955667.25	3718091	1476696	836690.6875	2603159.25	2405883.5	702271.25	1764681	2871284.25	776800.5	1648845.375	1467380.875	1424452.75	2736950.5	1190126.625	227066.4375	379554.2188	147096.8438	609355.5	2575820.25	3892772	1250509.375	479567.3125	3633526.75	2536954	706806.5625	1438445.125
3,7,11,15-Tetramethyl-6,10,14-hexadecatrien-1-ol	79983.92969	40072.49219	55215.00391	57969.53906	88112.51563	90258.53125	33054.55078	82205.30469	85294.19531	53647	61888.54688	60636.15234	15944.93066	77700.23438	37304.35938	81736.97656	75410.86719	58225.82031	20294.58203	25195.18164	76940.55469	20329.17383	102941.25	37630.37891	93281.57031	130552.4922	40580.08594	92190.35156	61704.03125	52665.74219	21372.59961	80937.44531	125486.9375	19994.49219	104926.8281	54361.12891	38107.74219	44378.43359	217848.2969	64764.83594	172478.7656	210553.2656	82403.26563	78032.27344	158716.7344	29204.88477	39671.28516	27743.60547	69581.96094	87334.89063	47374.62109	14793.90918	45308.83594	139456.2031	47959.79688	116580.0391	35446.86719	62527.92969	63369.01563	64121.22656	43766.21094	19658.56445	39242.15234	57030.45703	93423.09375	72348.51563	43367.0625	39034.00781	147799.625	13121.01953	28393.08398	54669.76953	62640.73047	49129.08203	64142.72656	63927.21094	46542.57031	238869.0781	53309.32813	47235.47656	65838.63281	54573.23828	136949.9375	23618.67188	32464.40234	63397.39063	88667.96875	99107.6875	41854.23047	62993.92969	72100.21094	130278.625	40805.86328	19234.84766	95442.32031	110186.1328
3-beta-D-Galactosyl-sn-glycerol	106669.8359	141957.0156	245150.9531	236289.3906	142426.2969	256901.5781	193586.25	164010.4844	295148.4063	129209.6719	155760.6406	274579.1563	173977.0156	232790.8125	248976.4375	171958.7188	212406.5625	259895.625	111488.9297	296145.5313	268064.5625	169636.7813	287865.625	235688.7031	133348.3125	106353.3203	289648.6875	127582.6406	135987.4688	226823.1406	166440.7344	157539.5781	255596.2031	159448.0469	149267	253200.9063	130407.3828	181551.7656	260441.5938	163525.7813	286069.7813	308611.375	238194.1563	155917.9219	273034.0625	123766.2188	197469.4063	300196.5	171443.6563	145204.7656	227848.375	140201.5625	129965.6406	241777.4531	126849.5469	146684.5781	280477.75	169566.1875	94895.11719	273936.0938	147111.0625	194604.1406	432235.4063	42626.26172	36808.37109	74836	176345.25	203061.3594	326912.4063	143249.8906	245230.6406	222006.2031	137352.3906	128193.0703	185858.1719	159832.0313	130240.9219	245218.9688	192434.8125	133504.2344	214945.7813	182410.5781	170764.4375	348820.9063	142900.1406	233447.9375	265409.6563	205890.4531	336764.9688	194954.3125	296241.9375	292550.375	276692.4375	177956.7344	189233.2969	231347.6719
3-Butylidene-7-hydroxyphthalide	64371.07813	61313.70313	119377.2969	106864.9844	99498.72656	114033.3125	85579.875	116043.7656	129601.1953	97199.39063	91918.75	110416.8125	76498.36719	105823	105856.8594	103143.1875	127077.5625	123331.25	87599.1875	65697.72656	139894.1094	104029.3594	71293.35938	134274.7188	91391.00781	112397.2891	150579.8438	89364.54688	123194.0391	104668.2969	60482.90234	69003.1875	103857.5313	119591.7031	70473.28125	83478.49219	117199.7344	115022.9922	159255.8906	106387.1563	115919.6875	95706.89844	82795.34375	101994.8203	151466.9219	115132.7969	108050.8281	129028.0625	78975.98438	111904.1563	153680.2031	91470.98438	90358.21875	118360.7266	69338.90625	108906.8438	133662.3906	116102.4531	84566.42188	129514.4922	78968.14844	68726.89844	108485.0703	68614.10156	87519.25781	106882.6875	65821.50781	129856.3438	85140.8125	134695.625	124572.4219	117319.3594	71675.46875	75409.59375	111315.4375	83924.32031	104631.6875	118060.1016	91437.44531	111572.9688	152644.2969	79169.40625	143017.3906	164337.2656	95818.34375	119115.7813	120648.2656	75057.09375	126725.75	117257.9219	114066.8984	132025.2188	87325.03906	77544.53125	95125.21875	155118.9063
3-Deoxy-D-manno-octulosonate 8-phosphate	146458.9844	47452.5	139004.3594	95164.05469	45922.04688	189336.0781	69916.84375	46842.82031	193856.0625	103008.4766	44061.63281	199606.5313	254766.75	367140.6563	313873.9375	390241.0625	342770.5	490175.1875	258116.6719	433665.0938	449605.4688	525876.1875	416254.0313	564412.0625	101926.4688	67696.58594	170625.1094	77217.63281	53720.68359	189798.375	87615.10938	41811.94141	174159.2813	105738.3438	54789.78125	160696.2656	385077.7188	335064	384233.9688	309073.0625	309624.9375	399557.2813	362469.9063	450075.2813	465100.125	538790.9375	369203.125	454464.8125	113978.6953	47027.13281	145406.4531	53768.76953	51618.82422	142217.7656	107121.0156	51768.47656	157994.6563	89827.44531	41726.29297	123774.8125	256805.4531	326973.25	568011.3125	332195.75	315722.3125	530581.125	381037.4688	444054.625	506502.4063	534547.875	490000.9375	401413.4063	117170.6484	46569.86328	144034.7031	105779.4922	40944.42969	209192.0156	104643.8594	51013.32813	163906.8594	94154.70313	65724.9375	179575.7969	322381.5625	361965.2813	403855.7813	412635.7813	522415.8125	543639.8125	309346.1875	421821.1563	628463.1875	584380.4375	487480.7813	566311.9375
3-Methyl-2-oxobutanoic acid	80193.67969	74717.83594	89703.125	90955.10938	118707.6641	89655.10938	185656.1875	76635.70313	62997.86328	105197.6641	68444.09375	102218.7891	246126.6094	140770.4844	106976.1016	209660.1563	205054.8438	97529.42969	259817.2656	285303.5938	139583.9531	183518.3594	179040.7656	129620.8281	103495.2969	80826.875	80867.5625	85336.35156	98757.0625	59169.3125	79477.39844	110557.3359	82736.1875	92769.60156	80238.13281	100432.6563	149958.6875	254196.4375	189987	174833.3281	200742.4063	117452.1719	204135.9375	234329.4063	139785.25	226524.3438	152188.375	76116.1875	83410.17969	84244.33594	82545.32813	84000.25781	93879.85156	80564.76563	102515.9141	77561.22656	102843.8047	144765.0156	64439.16406	46377.77734	143988.8125	274201.25	201430.875	167158.7813	150100.5313	125242.9688	280046.25	211092.8281	89235.40625	136431.6094	197958.6094	96897.92969	96500.5625	95683.82813	83060.39844	136663.4531	97438.51563	90763.11719	80591.67969	133303.4219	62196.89453	175538.9531	59208.63672	97596.16406	113543.5313	180881.0156	128913.2188	185423.7656	160100.6563	151517.1406	220799.0313	207663.4844	132588.2656	218697.9375	186344.0313	160704.7813
3-Methyleneoxindole	51516.74609	31835.78125	54126.99609	45117.9375	40900.15234	51688.45703	47429.50391	55818.06641	55294.51953	50632.54297	40638.38281	71327.73438	55642.44141	62297.34375	51528.32813	55469.00781	64088.33984	59751.55859	47382.19141	70833.38281	49592.70313	62971.78516	72647.17188	47555.98438	42678.68359	45322.51953	53134.18359	44712.01563	48876.43359	54493.77734	56813.35547	51688.01172	63888.61719	66798.32813	60259.08203	61690.77734	55115.125	66034.89063	74152.20313	62502.76563	60258.62109	68832.61719	51818.32031	69605.65625	52745.33203	51302.47656	59777.69141	53733.30859	47526.30859	41562.38672	48712.95313	39274.46875	37246.54297	49358.56641	54451.24219	38332.04297	42622.50391	51175.35938	36413.28516	49927.75391	53622.89844	59493.24219	107150.3906	51520.52344	54763.85547	53516.83984	44061	68016.70313	42131.6875	42515.45313	55603.23828	61949.86328	49287.42188	41643.44922	54960.70703	42220.21875	37861.80859	62316.5625	42227.08984	38960.97656	49836.42188	42143.07813	41348.57031	57500.05469	39541.60938	42550.1875	58651.96094	51364.24609	59887.08594	40775.85547	49757.26953	62155.19922	60918.0625	57778.26172	64220.61719	50000.46484
4-Amino-5-hydroxymethyl-2-methylpyrimidine	60006.64844	79397.51563	149089.0781	85709.10938	120769.8672	106307.1484	80268.17188	99502.78125	135457.4844	92951.66406	128575.7734	194561.8281	57217.61328	160073.9688	112682.5703	62352.16797	87138.66406	150397.4219	70738.11719	96053.875	54803.66016	53040.8125	95331.25	127791.6563	44864.61328	81406.16406	74840.98438	70875.30469	112032.8281	118188.0234	57172.23047	122712.2031	75501.15625	78093.96875	107576.7578	126240.9375	72842.25781	128825.1172	130135.375	70486.64063	80370.30469	159017.9219	83892.89844	141875.2188	133520.5	54934.48828	120679.0078	128350.5313	54399.20703	84716.42969	129298.8281	69326.86719	74670.82031	127298.7969	78924.59375	101048.7109	116233.25	83906.48438	76447.64063	114916.5	59442.90234	76542.63281	82133.96875	61642.03125	75733.80469	128032.3984	42268.25	115307.0781	107733.7891	54200.63672	166839.6563	93684.45313	76990.6875	106998.8281	132191.6094	24422.2832	43764.25781	34074.54297	61906.28516	167847.0469	90006.44531	63834.12891	143816.1719	122728.8047	42732.51172	87501.6875	135665.3438	112419.4531	81713.6875	116256.125	48748.65625	77783.38281	107465.8984	104947.3516	109275.3438	158749.7656
4-Aminobutanal	111896.4844	87903.89844	99555.46094	129048.4063	105309.6953	128797.7031	157297.4844	157739.875	130757.875	126290.6641	101407.1641	118056.2578	52631.86328	75357.35938	121062.0391	75313.27344	72018.71875	64427.41797	79778.41406	72701.20313	65248.63672	68101.96875	77207.13281	64477.94141	109344.6406	100499.4531	125506.3672	135466.9688	80205.63281	125655.8906	93765.65625	123757.4531	129394.5156	150034.4375	103261.1875	140434.8594	52203.33203	67719.97656	71056.90625	53948.55469	75077.72656	65442.88281	48452.84375	57117.75781	83394.28906	71644.6875	71441.30469	62242.37891	78520.89844	135117.7813	102538.8359	102769.0156	103005.5703	157405.75	108447.2578	79701.30469	94243.75781	105367.7578	114808.8281	131977.4219	72905.14063	112347.2578	80960.69531	73343.46875	49769.53516	100354.875	70113.23438	70183	58293.73047	50418.08984	57075.30469	60225.00781	178782.6563	152386.5	146965.2188	141067.6563	99141.07031	129654.6563	151259.25	95601.1875	122583.7031	96798.11719	168544.3594	140786.3438	95604.29688	74611.10156	48486.44531	52119.34766	76533.07813	66863.50781	59838.60156	66199.29688	91563.25	51946.16016	89869.67969	65544.36719
4-Aminobutanoate	152883.2969	138355.3125	144590.0625	164137.9219	207894.1719	211389.8281	148006.8281	126729.2813	190660.7031	127430.1953	159764.2813	177510.875	243828.75	128260.2969	203577.3594	105621.8906	210721.1094	172874.25	145780.1406	149036.625	347919.9063	126905.2656	149861.4063	164374.7813	151470.625	116538.5938	166051.2656	173571.9531	124003.0781	135583.1406	123789.3203	149065.5313	168554.3125	111440.5781	151357.4688	166566.1094	177533.7031	164714.6563	181324.8125	164687.0625	147211.8906	165270.7969	208883.8906	154708.1094	163339.0156	133067.125	142416.9219	132949.7031	110938.8125	157976.5625	195911.8125	131125.9375	147967.3281	313951.625	140223.7813	134725.0313	133121.2969	161256.4531	156504.1094	147176.2813	107086.8047	151260.8906	163752.1094	123500.2578	121661.1406	153918.2969	153255.3281	141351.7188	131597.9219	125761.7969	174239.7969	161150.875	106166.1797	183186.75	165399.1406	103302.9688	137992.2344	264745.75	153731.6406	173188.7188	215710.8281	214471.4844	130418.1172	209703.7031	153638.0313	128722.7578	142741.0781	337315.7188	136491.9219	174450.875	104674.2578	149635.4375	222136.7813	177715.75	118353.7969	159597.7031
4-Heptyloxyphenol	40870.62891	92673.6875	91906.59375	11846.15137	39895.48828	60012.95313	49522.99609	106654.4141	124017.9844	97339.32031	133013.6563	114012.3516	44791.97266	216960.7188	69254.83594	53911.25781	87034.39063	86988.25781	131799.7656	96386.92188	107836.7813	44270.06641	43680.89453	31297.13477	38212.69141	86602.38281	100849.5156	28786.4668	121545.6563	196563.0156	58394.00391	66787.10938	62552.00391	59169.76953	88904.67188	73427.0625	60387.02734	109422.3359	111384.7891	14979.38281	63468.92188	78928.8125	82548.44531	38788.22266	177412.3125	67752.02344	110896.1016	46514.34375	31262.80273	110103.5391	65211.67969	32307.88672	91030.15625	112231.6406	70808.79688	155778.5469	91946.45313	68845.875	158074.5781	75094.125	19924.55859	76781.92969	75483.375	33370.76953	252412.2969	193573.6563	72171.67969	74872.46875	107498.1563	107158.0391	158669.2813	147229.0781	87205.92969	52588.29688	60528.57422	36852.875	28041.14648	79050.79688	97112.64844	57954.56641	19071.97656	43920.34766	58631.16016	136071.9844	82696.82031	71006.16406	69250.72656	61720.00781	85800.53906	58923.875	66503.14844	115758.5	80343.6875	43444.38281	75610.07031	171853.9531
4-Hydroxy-4-methylglutamate	57277.59375	71738.10156	63018.86719	60504.32031	34933.00781	62399.40234	54998.98438	35107.38281	56157.24219	27733.70898	23416.05859	47446.28125	49470.94922	60624.84375	96633.92188	67237.10938	56634.76172	108692.7344	114545.5	104515.9531	96742.67969	51743.13281	89897.10156	60361.25781	47902.55859	36162.87891	53557.03516	49408.50781	37348.50391	61539.74609	57945.54297	50930.73047	73279.15625	81305.15625	35431.92578	79535.19531	55689.32813	66280.78125	86435.5	66003.86719	101010.5391	51436.16016	56597.38281	76839.22656	69417.32031	60860.66016	56960.11328	62390.00781	41489.32031	56829.07422	46601.3125	56746.67188	26387.21094	59808.23828	54093.02734	46571.46875	35357.33203	50312.875	42121.03516	49340.10938	90096.98438	74630.13281	198339.7188	41419.82031	63178.15234	65399.40625	52647.20703	66574.60156	53796.66016	66086.11719	59276.38672	44980.23438	52190.125	46056.57813	68741.95313	68831.99219	31557.69531	67291.65625	43914.77344	43627.51563	56633.28125	57182.77734	58228.55078	72585.51563	99297.96094	46877.01563	59531.12891	60697.22266	86721.27344	48096.61719	68139.26563	80499.72656	115578.3047	82728.49219	72022.5625	55024.39844
4-Oxocyclohexanecarboxylate	90374.21875	77363.09375	66925.75781	101913.0859	99058.33594	105413.5703	95714.17969	74513.07031	88489.95313	82245.79688	75233.08594	87200.96094	70319.96094	82112.95313	108091.5625	118487.6797	101340.1406	104937.0469	110579.8281	92663.92969	79231.61719	117246.2188	95557.14844	75428.22656	62512.99219	93159.63281	84247.32031	83613.69531	134997.4531	81358.30469	80565.47656	105721.2031	99493.15625	92089.97656	87456.32813	78077.78125	111475.7422	53363.43359	88894.07031	96904.38281	99660.74219	93211.53125	86049.36719	72086.6875	97611.23438	91126.57813	98415.35156	83212.14844	90655.29688	86947.17969	87916.63281	93757.83594	110153.1797	65340.14844	90580.78906	78151.80469	75617.03906	126970.6563	73176.5	79221.8125	79792.51563	94613.89063	64907.89063	78322.59375	74365.4375	80042.98438	94926.71875	65392.21094	63806.59375	104166.3125	91793.16406	73943.8125	81733.16406	86227.17188	87303.99219	76880.88281	84310.70313	46734.80078	90042.35938	86379.53906	93189.69531	71040.14844	94127.14844	63738.66406	78729.98438	95785.96875	81106.38281	112881.9766	100278.8984	104480.7656	91928.76563	88997.82813	78017.95313	82834.72656	82547.40625	88603.17188
5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide	151639.1875	139956.0469	159612.7813	226329.2188	109287.7734	135352.9063	149844.9219	142716.5	159925.2656	150583.3906	100400.1172	142733.4531	90688.28125	127065.5859	172345.4375	138585.25	144425.3438	99165.39063	98394.8125	120872.6172	114098.9688	123076	126674.1875	106452.1641	107246.6328	163297.2031	157169.875	101377.3281	115366.2578	152274.8281	142124.4844	141093.9844	298719.6563	160021.75	138288.0469	156084.4844	102637.9297	108640.6641	105224.8672	81870.00781	92199.38281	146832.3281	130018.375	135632.6875	139279.4844	97400.96094	107493.6484	123105.6875	125775.1094	173677.625	123573.3281	111082.0469	127306.0859	133259.0781	124710.6094	102806.1875	118521.4375	138120.6094	135922.125	171254.4375	122698.1016	174742.0625	119918.3906	89592.46875	71083.75	142005.3125	94608.05469	103029.9766	78422.14063	82101.98438	133800.8594	117595.9531	166687.6406	141686.7813	130943.8594	96809.3125	121320.5859	158367.6875	166248.1563	139428.0938	137330.2344	108500.0547	140648.875	113363.5938	92458.14063	176398.375	85099.76563	80320.75	141299.3594	126800.9766	87061.19531	102518.9141	187554.5469	131374.5313	110703.9375	98616.20313
5-Acetamidopentanoate	124575.4219	99479.76563	751115.125	120822.6406	83609.38281	213004.3125	186869.0156	133873.4375	1274085.5	149267.4375	96029.19531	272649.6875	171472.7031	185286.4219	1292239.375	230546.2813	217363.9688	878105	123086.7188	247444.625	1105166.125	222733.3906	208065.1094	1097684.25	108013.6406	100345.3359	244375.625	103451.9375	99490.33594	202102.2188	103327.7578	119993.5313	883875.3125	87957.21875	103699.9766	833842.1875	121219.5234	153076.2656	270936.0625	133012.2813	224034.5	244328.5156	205309.5938	186283.6406	272887.3438	212103.4063	316862.7188	1030248.063	190531.25	126838.5	848411.9375	117248.1953	115419.4063	800685.0625	139000.8438	110838	308703.5938	134892.5938	118264.7031	821488	93459.82031	195706.0313	297253.5313	137273.9063	162006.2344	226399.8594	170042.4688	160337.5938	226470.3438	147092.0938	157766.3438	867824.25	100942.3438	95583.53125	600913.25	90308.85156	95327.09375	309765.375	136109.375	143702.0313	195177.9063	120058.8438	155771.8906	227038.0625	247191.9219	161405.0938	811260.875	198539.8594	277679.4375	879845.875	164781.875	198429.7813	248539.9219	136415.4375	161764.4063	1198882.25
5-Guanidino-2-oxopentanoate	36708.14844	55886.57422	86824.46875	58705.44141	56699.03516	28315.88672	42381.89063	65309.68359	54023.69922	60774.51172	45043.61328	58450.79297	58787.15234	79377.53125	42693.86719	55854.07813	89613.21094	24922.78906	58873.14453	66998.39844	88011.32031	60015.52734	35830.96484	65427.15234	40850.58594	39838.95703	49256.80859	44086.25391	60698.39453	25440.97852	68782.38281	47884.53906	74317.5625	38854.83984	57250.96875	85967.82031	51300.66797	43021.47266	49066.19531	72090.08594	98364.96875	80547.90625	58496.78906	64211.36328	61363.01563	97689.5625	52941.69141	62486.28125	47425.71484	53608.53516	55950.20313	39692.64453	67680.67969	38257.80469	66263.36719	51902.375	51503.74609	58479.65234	47862.82813	65818.39063	38663.40234	57096.37891	106028.1094	51654.13672	157256.3906	40305.75391	69715.17188	65855.10938	42256.27344	50277.12891	67865.57813	38387.70313	39523.15625	123988.5	60861.6875	73633.60938	86863.73438	54742.48438	47502.125	35060.98438	56687.44141	46670.71094	83070.5625	54823.73047	31661.67773	89198.3125	61301.23438	128204.0078	92338.19531	67008.16406	79525.35938	48547.82813	77449.60938	117497.5703	50636.78516	81203.10938
5-Hydroxy-L-tryptophan	177636.7969	141103.4688	257527.2656	193033.7813	224576.7031	198985.3906	170642.9688	233154.7813	227931.6719	218675.5469	178916.1094	255956.3594	156675.9219	257690.4688	196708.3594	285098.7813	256338.7344	194495.5156	226449.9063	278622.8125	338773.125	213724.1406	267147.25	225306.25	158911.5781	157217.3125	236481.6406	221862.5	228652.4531	229423.125	236784.6719	190285.5	262202.8438	314230.3438	246932.0469	248032.5625	193469.9063	272647.7813	201081.2344	170699.2344	276736.875	236502.1719	220572.0625	264331.625	294228.375	290773.2813	260947.625	231205.7031	255777.625	142276.5625	209506.7969	144221.0625	197809.7813	267338.75	252343.25	213830.7031	219396.5781	240528.5469	176609.5781	270763.625	159120.4688	198476.25	288154.375	216863.2031	310100.5938	211167.9375	192025.7656	314387.8125	199036.9063	240958.2969	262319.9375	235149.1406	177211.4844	161764.2188	264091.625	233273.6563	167549.4063	308567.6563	319452.625	191621.5156	286810.6563	200757.8594	213856.8438	346786.875	113094.375	218147.7344	195867.0938	243025.3906	274756.375	234422.3594	241718.0469	272138.1563	279538.7188	227736.6406	247526.5938	259134.1406
5-Nitro-2-(3-phenylpropylamino)benzoic acid	292860.5313	229756.9531	275488.125	285623.2813	254577.5313	267082.125	235115.0313	299487.5938	288162.1563	272662.9688	151654.2969	258432.0938	226381.0313	373282.6563	251058.0469	283122.1875	299394.875	237868.4531	233217.5313	304344.7813	366726.9688	203449.6406	224170.3438	293882.6875	138281.875	364341.9375	284529.4688	227315.625	223522.2031	171849.1719	148686.2344	188560.1563	245555.3281	167710.6719	134916.4219	287587.6875	223990.4375	331276.1563	299933.9688	227421.5781	368354.2813	197774.1406	205552.3594	306710.3125	341100.0313	281415.25	309496.1875	216665.2969	220153.4063	269566.0625	267381.4688	201791.1094	223303.5938	172029.4531	187437.6875	199357.9688	370182.9375	223295.375	221990.1719	267103.2813	195293.0156	385014.375	397522.375	219050.0156	374603.6875	246918.5625	203506.0313	319466.6875	185920.0938	159065.9688	301771.3125	284706.7813	222887.6094	258370.25	205775.8594	224885.8594	237657.7344	181460.1875	252835.5938	243054.0156	321508.5625	212598.7031	249461.0156	280403.4063	136052.0313	376414.0625	210090.4688	338326.7813	353339.4063	183061.6406	280756.7813	310297.6563	275185.375	232028.5625	218717.7188	270281.0938
6,7-Dimethyl-8-(1-D-ribityl)lumazine	60906.96484	29949.54883	39180.64063	105732.7734	35590.5	51813.46094	95795.73438	40590.28906	47620.82031	65305.91016	38288.31641	52403.35547	0	0	0	0	0	0	0	0	0	0	0	0	74004.88281	31618.76367	41354.10547	97778.3125	34765.70703	57240.22266	111385.3828	94972.90625	95526.89063	219497.4531	65351.95703	124803.1797	0	0	0	0	0	0	0	0	0	0	0	0	60738.77344	30499.92969	34404.80078	80078.6875	49319.98828	44148.26172	105061.1484	44006.23438	61300.77734	123580.3125	43357.36328	58925.82031	0	0	0	0	0	0	0	0	0	0	0	0	62785.625	42355.38281	65968.21875	101385.8906	31856.46289	72864.11719	130487.2266	59823.53516	53684.9375	151735.4219	52840.10938	68986.3125	0	0	0	0	0	0	0	0	0	0	0	0
6-Acetyl-D-glucose	122445.7188	105945.2578	250039.4688	191280.6719	91334.35156	157262.7656	117367.5859	118138.5859	157909.7969	112534.4219	120709.0625	176441.5938	180787.625	155562.2969	185718.5156	138825.4375	139784.9375	159724.3438	151477.3906	132927.2031	152310.25	145315.3438	131900.9063	180988.9063	168569.7813	96626.90625	205060.75	129342.8984	126276.125	157709.5625	162148.5469	106115.3438	148280.8438	148503.3125	128887.8516	199197.1094	245509.2656	184500.6094	200072	225817.5938	139935.8281	208959.6094	148212.9844	128681.7969	148602.9531	192239.5156	138419.7344	194419.6094	134632.875	122656.5547	196704.9063	108664.7813	99602.625	161121.7813	163867.2344	101487.625	158725.0156	147574.6406	115881.7188	126856.7813	117658.9922	159415.2188	263071.7188	142815.6719	250347.625	183969.9844	155906.0781	174470.5781	125291.4531	108108.5156	184989.0938	113553.5781	106359.6406	141941.0469	213171.4688	139437.75	112771.7344	164016.4531	95240.16406	88373.15625	158269.0781	100025.3438	163009.7813	145167.0156	160815.9688	182526.2344	205307.9375	163603.3438	109133.6875	185197.0781	140076.5469	112349.6719	171517.9844	217756.5625	137048.3438	153126.2031
6-Hydroxyl-1,6-dihydropurine ribonucleoside	63971.94141	48208.39453	86395.46094	53917.69531	39930.36719	83719.35156	64277.66797	37284.01953	106375.6406	53074.94531	37095.70313	96938.54688	75221.41406	65299.32031	91301.53125	85700.67969	82287.66406	80650.67969	70534.08594	91314.1875	125816.7109	61245.85156	71826.54688	89735.85156	46976.94141	42548.19531	98554.29688	42549.97656	55035.69531	88619.95313	55990.60547	40673.28516	95090.96094	64664.28125	45345.6875	100669.1875	57933.83984	82582.48438	75243.34375	91971.54688	92150.57813	103325.2266	75677.51563	76275.40625	111470.7422	93379.28125	136908.375	108650.0313	51832.71875	44315.50781	82307.76563	48729.83594	48106.44531	68546.05469	52979.10938	50799.96484	75159.14844	58093.20703	51774.28516	83025.85156	67256.6875	97386.32031	121076.5156	106024.3594	73304.98438	95397.14844	80502.33594	72063.86719	93003.78125	95861.94531	87930.75781	85827.22656	53316.37109	43688.83594	65288.66016	43528.93359	47998.64844	95781.30469	52697.89453	40248.27734	65599.07031	46598.94141	45865.36328	88178.35156	80179.89844	104732.5313	91861.08594	106068.6797	94128.22656	79253.67188	92050.51563	117526.0781	95626.25	64199.86719	65502.32422	71166.71875
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate	147613.9219	149876.4063	141748.6563	156968.7969	92131.95313	248767.7188	145472.4375	123746.7734	181454.3594	155179.7813	109360.9141	270809.6875	119973.625	114208.7031	234010.9688	209681.5	263639.25	269000.375	265232.2813	184152.4531	249781.5	243198.1094	158027.5469	258796.3281	123739.7891	110795.2266	259296.0313	72967.88281	96097.89844	177868.9688	118874.1719	103136.7188	189193.3594	167774.4531	102266.7188	170971.6406	287429.9688	118271.9688	206123.2969	130231.9844	166365.1719	118041.9063	152362.7656	188423.125	182805.5938	168914.1094	189159.4375	177206.4375	106838.3281	124631.1875	204906.3906	120042.6953	126611.0547	179645.0469	101334.8125	83360.70313	169606.8125	97320.46094	78263.28906	117068.9297	178805.1563	254083.5313	325926.1563	207711.375	128566.1406	375942.0313	194338.2813	176749.9063	298620.4375	203333.3281	172972	144310.7031	211429.9844	127376.1406	257347.625	118392.5078	84222.15625	327650.3125	145922.5469	111029.6719	184514.6406	129854.6406	124110.7266	227154.8281	313780.7813	219792.4219	177454.3438	201900.8438	231041.7031	224282.4844	114892.1172	142770.3125	231271.875	178326.7969	143829.9375	158955.3281
6-methyltetrahydropterin	115390.0234	61467.97266	69730.375	67499.0625	88829.71094	91713.36719	62020.38672	30444.61523	107916.5547	59836.04688	67480.88281	133681.1094	82691.39844	229782.625	101550.7734	121431.6797	109367.7734	120723.6719	140323.7188	95491.66406	101729.9609	125883.2734	170071.1719	168436.125	85599.21875	154760.5	111877.3203	85068.125	48088.28906	67788.11719	85121.35156	75639.67969	110662.4922	128072.8516	27289.88086	79564.70313	70643.24219	151863.875	95969.51563	125889.7578	117352.2734	137516.4375	147915.0469	191170.2969	79541.39063	115076.8672	223895.9688	156300.5156	71151.89844	79439.92969	75077.05469	98066.39063	52209.08203	85163.75	64418.65625	73779.07031	120297.5313	154299.875	64467.16016	147867.9219	124058.7578	131741.0469	145077.8906	130155.6484	98635.90625	158655.875	102349.5469	89882.27344	127894.0391	76415.8125	167890.1094	87562.58594	109833.4531	71094.86719	116152.4375	133033.1406	54014.96094	75970.89844	51683.84766	69194.59375	104801.6953	110948.7734	90669.32031	130570.9141	98679.21875	179783.9844	247005.3906	145223.7031	190622.2188	93669.67969	102895.6563	108279.625	147965.2188	82083	125750.9219	100467.5703
6Z,9Z-Eicosadien-11-ol	74492.0625	89740.83594	27757.39844	79307.30469	154188.4219	43031.39453	70100.33594	122436.1016	15817.46191	94251.84375	104970.8438	16086.13477	51132.36328	104744.3672	26156.53516	62809.82422	85796.82813	20202.43359	57751.98047	90318.54688	17449.56445	78650.83594	82924.95313	32128.75977	40096.32813	86767.71094	38361.34375	64151.81641	97066.8125	19802.39648	57602.83594	81102.39063	36105.89063	133229.1094	77883.67188	28178.5293	60829.63281	89826.89844	30113.56641	79900.83594	72672.97656	35694.01953	82144.98438	107635.6172	33791.05078	64732.06641	69060.42969	36740.73828	66840.07813	161640.1406	47858.0625	55289.1875	81602.59375	28426.38477	66901.1875	81139.69531	43116.06641	77679.8125	91937.35156	18856.67188	57170.24219	83532.875	55880.78125	54706.75	86802.50781	16021.63672	51994.40625	121247.0859	31188.02148	46239.27344	59050.53516	28228.65039	50797.26563	87390.64063	19569.26563	58124.84766	127163.4688	44884.46094	66550.57031	71569.80469	24557.43164	84322.20313	89289.26563	32967.57813	50234.64844	121106.4766	38852.89453	75039.3125	101033.6172	20561.96094	87311.99219	106619.0156	26575.15039	70593.78906	63577.71875	37326.45313
6Z-Tetradecene	77948.13281	61345.34766	100953.5469	86969.1875	175311.25	121427.3047	22733.06055	176764.4219	72445.67969	122200.1016	80124.74219	140369.75	37195.67969	111450.3516	102088.6875	161517.0781	96029.49219	41890.19141	25125.11523	77711.08594	65697.17188	58661.77344	42082.22266	40019.40625	101592.7813	103167.4922	159394.7969	153742.5156	79464.32813	133919.375	170053.1719	122189.4609	178674	114823.3516	100523.0703	219473.6719	74673.30469	86579.91406	31502.03125	48883.98438	129266.6094	39053.96875	70207.30469	220107.0938	94831.92969	114686.0156	205526.2969	57597.50391	229820.25	67812.71094	182648.9063	44829.27344	192531.6563	177377.125	141222.2656	107690.4844	203721.0156	147517.0938	73584.89063	58485.74219	61582.22656	0	149880.6563	67736.17188	47396.33984	65451.26563	35985.28906	57217.50781	36062.35938	78180.4375	72560.10156	71390.89844	105192.75	77635.64063	134595.0313	159017.5781	89250.48438	139485.9688	187686.7813	91679.55469	105439.9922	208272.8906	92063.50781	97218.09375	49626.88281	82793.99219	240999.5625	76249.53906	98896.05469	37640.92578	166212.1563	110925.0625	45671.27344	82667.75	111556.0859	96586.63281
9-oxo-11R,15S-dihydroxy-16,16-dimethyl-13E-prostaenoic acid	89396.30469	324857.7813	0	96461.01563	356157.1875	6289.212891	177509	419838.5	0	287741	366552.375	0	62122.69922	317206.3125	3575.692139	82632.67188	307571.25	4383.353027	101925.7891	307792.6875	6466.991699	320247.75	340129.7188	0	65355.9375	353542.6875	0	70193.38281	354253.7188	5142.780762	157939.0313	349384.75	0	298105.8438	356887.5	7000.144043	89309.38281	333494.2188	0	96430.54688	328282.375	8526.822266	158639.8594	372641.7813	8551.523438	239659.6563	308138.0938	5834.759766	101222.4688	393827.9375	0	63619.86328	297982.125	5148.041016	151972.4844	336201.8438	5117.513184	261485.5156	394188.375	0	56835.04688	329381.9063	5834.254395	76120.04688	293014.9063	10879.87109	117365.0625	333303.875	0	269409.6875	368050.4375	6855.728516	89544.25781	298790.8125	0	82192.78125	298339.9063	0	198935.7813	373898.125	0	178638.4375	361857.2813	4861.624023	70480.1875	341799.0313	0	97452.13281	327901.5	13662.90918	152061.6406	317803.25	7020.387695	287089.0938	340332.7813	6973.744141
Adenine	44771.92969	101463.5078	156690.7813	84352.42188	91286.85156	71944.39063	89390.09375	143416.8906	102747.2813	99887.53125	64476.96484	106311.3672	109906.3359	87230.07813	106295.6797	88460.69531	100789.4844	91691.65625	76484.96875	88127.80469	82631.64063	71390.95313	86075.6875	72408.33594	43267.82813	60860.75391	125674.6797	53001.56641	64174.41406	89032.27344	97643.8125	76466.04688	111708.6016	71479.89844	67945.69531	56133.46484	56638.65625	104495.3359	66775.91406	86390.9375	79456.17969	100807.6406	79269.3125	74179.625	73651.27344	106477.3906	86989.125	80723	64646.81641	78505.88281	145229.0156	67567.53125	84120.125	71738.52344	68673.05469	71741.25781	111281.8125	81444.16406	53655.35938	90531.46875	104872.0625	162563.7031	150256.1094	61859.73828	99941.21094	79812.26563	70127.98438	94669.16406	76613.375	76015.83594	67511.45313	79957.1875	81511.24219	72166.09375	151020.2656	80717.94531	50140.30859	105010.5156	104013.3672	69340.28906	111267.5625	59405.12891	63716.48828	108693.2969	55328.31641	113878.875	112112.1406	91852.20313	114680.9453	68734.82813	72639.84375	75878.8125	71995.08594	76492.65625	153025.4219	92608.71094
Adenosine	26481.49609	23523.93555	32547.3418	23522.63672	32173.76172	27545.80078	30727.64648	28810.72266	37445.68359	30748.53711	35031.375	49941.42969	43515.32031	82118.03906	68337.60156	35329.69922	69977.41406	56886.25	77602.74219	75669.73438	62159.27734	61722.46094	102379.5938	56617.10156	19640.35938	31625.34375	40525.35938	26967.50977	21207.64063	31599.70508	19636.68555	32816.37891	47750.32813	41823.69531	28563.53516	50404.80859	64547.92578	70190.96875	61209.19141	59340.19141	80817.03125	53980.4375	53697.63672	70551.63281	68979.71875	61523.12109	86691.60156	58301.71484	27688.23828	34109.89063	37267.41016	21487.03711	23883.15625	22480.93359	18801.42773	30439.72852	47271.04297	27498.71289	33274.64063	42377.73828	47202.66797	91974.85938	100395.6563	47604.09375	61953.74219	44570.31641	43306.67969	60847.33203	89597.74219	58882.56641	76201.9375	37625.06641	27535.12109	37198.60938	37417.73047	22445.66602	21670.67773	36047.39844	28599.47852	78782.89844	42455.87891	39174.67969	27266.18945	37451.05469	42980.90234	82270.76563	51671	65230.94531	73687.94531	81393.80469	68341.74219	74301.80469	66502.69531	51877.14063	70998.69531	68961.42188
Ala-Ala-Ala-Ser	208666.9063	196478.8906	298730.2188	290867.0938	232690.2813	274383.5938	249794.5313	195217.4844	291233.2813	209204.2031	231336.5469	261825.5625	219956.7969	353808.7813	274207.625	252049.3125	347530.8438	320410.875	282039	348680.9063	344329.2813	355057.8125	307506.4688	314802.625	173774.1719	205605.5625	253916.5313	259537.4219	214939.3594	274418.4688	218237.25	215889.6875	237923.9531	239693.1875	180455.8125	310805.1563	259242.5	284244.4688	276164.1875	294530.7813	353115.2188	335966.9375	337358.8125	358849.6875	322033.375	309497.3438	335110.9375	272163.5	245776.5625	195143.3906	232074.8125	147386.1094	193998.5781	263364.375	208613.9844	225396.0938	256696.7188	205269.2188	216481.7813	314014.2813	270619.6875	297938.2813	513045.5938	265508.875	304121.0625	313231	230257.4375	376213.0938	327168.25	269183.6875	341130.5	276977.7188	236442.3906	194078.625	284653.125	233688.4219	204213.4844	318191.9375	228158.4375	201838.1563	239757.9063	203382.2344	231634.1094	247752.8125	252891.875	259650.3594	313894.4063	290555.5313	331737.0625	231072.2188	350124.625	364471.5	276917.4063	282408.6875	342285.125	335903.5625
Ala-Ala-Gln-Ser	169032.4063	311264.5	244979.375	291112.3438	138340.3438	287476.125	274903.2188	263237.3125	239888.3906	241842.1875	286072.3438	175122.0313	162938.3125	328812.9375	271752.1563	161516.5938	233431.1875	417992.0938	246182.875	196236.3438	311269.0625	176010.5469	161481.75	174623.4375	94972.3125	235743.1719	301211.9688	122031.7031	249321.7188	296445.5313	77646.74219	317205.6563	345211.9688	204997.9688	402740.4063	525645.625	260522.8281	347645.8438	234619.9688	178424.2188	192666.9219	188563.0156	165965.3594	140197.7813	290467.75	272782.7188	261239.6875	243942.5781	169429.7188	292319.7188	201980.6094	116162.125	233990	153307.7031	224700.2656	270373.0625	175593.5625	302958.125	268088.9063	267153.9688	95318.98438	274398.125	155680.7188	149227.9844	524148.875	399513.7813	267064.6563	425955.6875	301324.3125	195987.4688	315837.5313	201588.8594	207292.8438	136493.3281	290133.625	111054.6953	136307.8906	197092.6406	518262.625	421806.7188	126381.8125	113550.4297	174618.9063	460377.1563	218294.7969	162787.125	258900.3438	135347.4688	235351.5469	280388.8438	390415.75	209603.0781	195855.0938	114166.0938	216072.6406	300071.0313
Ala-Asp	62769.42578	49537.55469	33114.64453	65339.64453	47387.36719	26260.18164	48215.74219	46432.34375	20046.67773	43624.28516	52253.82422	31254.14453	78418.66406	104126.6406	158696.7813	89695.00781	62661.30859	99247.71094	28978.37109	40178.08203	100922.6719	80557.85156	73463.01563	73475.89063	60110.27734	58277.34766	23696.6582	70229.44531	67544.44531	49509.375	82906.76563	65609.78125	34109.67188	113856.3672	68412.67188	42964.02734	117619.6016	69175.13281	89717.78906	68725.42188	65768.88281	144184.3594	74883.67969	61072.33594	86780.5	111155.1953	95189.21094	73468.82031	81010.42969	50807.25	27628.89453	56192.34375	50853.73047	33227.53125	53528.61328	47592.25781	18911.83398	56593.38672	39269.77344	18439.88672	106274.3047	64225.83203	194863.2969	59580.89453	56302.30078	102523.1875	57211.75	64862.36719	125741.0781	68460.125	86484.03906	87112.14063	54540.44141	60980.20703	35147.32813	56913.30859	54169.55078	32143.70117	69599.25	46609.18359	25796.25195	60066.125	50918.98438	29353.05273	73979.17969	76227.73438	95393.82813	34332.20313	41652.19531	99884.69531	80680.66406	73343.99219	98783.60156	37656.52344	40400.74219	82999.625
Ala-Asp-Cys-Ser	43624.97656	39942.10938	96611.32031	44369.76172	48533.82031	135743.75	54890.67578	43496.10156	151736.5625	45635.75	51407.26172	128045.3281	9521.34668	18513.12891	36032.80469	21608.01367	26004.13867	31296.20703	27733.12695	27491.36914	40209.61328	33361.32422	46359.84766	45997.84375	38641.42578	33932.96484	123840.7266	35699.6875	46578.86328	94643.25781	36983.61719	41342.55859	112379.9609	52326.16797	42137.30469	124585.9531	11613.29492	15480.5625	38309.23828	19503.87305	29810.74414	36782.23438	22751.00781	27309.64258	44690.4375	40454.1875	59266.40234	34519.35938	43126.99609	41391.71094	84523.47656	48781.97266	50389.57031	100565.125	55501.89844	50283.21484	115100.7891	57014.52734	47607.17188	142170.9844	16167.68262	25071.58203	50556.71484	16299.2998	24513.87109	49522.50391	22985.30664	38185.28125	63476.63281	35272.34375	55108.41406	66266.29688	47751.125	41256.86719	89906.74219	47327.57031	51092.91406	116899.0391	50832.75781	44731.89453	107039.8281	48911.38281	44971.99219	134512.8594	10380.71582	19852.07813	29468.8125	19774.61914	25883.38672	26326.38086	20050.48633	32134.72266	44057.17969	31245.08789	48392.35156	48638.0625
Ala-Asp-Ser	151048.8438	151334.25	137485.875	143784.125	155156.3906	84313.4375	117945.8984	139359.3281	114455.1563	142475.6094	162940.7969	84586.65625	56478.72656	91794.25	62062.25	95109.51563	126694.5313	68016.04688	106504	124955.2031	90206.22656	113207.3984	126181.4922	80635.65625	119732.7266	132009.6094	85819.23438	139285	133433.4375	103300.7188	153266	164863.4688	99917.08594	148554	150032.7813	98507.10156	79013.92969	71760.42188	87329.16406	89517.0625	79759.5625	83812.57031	119285.4766	103982.0625	71698.61719	155687.2656	116430.5938	86049	136722.7969	199491.6875	92745.71875	131928.3125	167364.3281	96423.73438	170215.6094	160077.8281	81454.78906	178672.4688	153157.2969	83769.91406	62702.60938	103150.1094	105773.3828	75959.46875	155862.9531	86645.39844	105320.5156	145163.9531	74964.14844	98674.86719	143901.4688	95798.83594	123335.0703	156092.7656	81112.65625	177931.6875	186273.0156	98206.875	151054.0625	157606.3906	105740.9922	137939.9844	168516.5781	83831.28125	65156.84766	102513.8828	74923.69531	107113.4688	103682.5	77284.36719	103408.9219	125576.5547	64205.19531	130975.6484	149720.0625	107934.4375
Ala-Glu-Glu-His	272976.4375	243552.6719	177719.1719	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	298878.7813	134035.6719	184174.8594	339850.5313	200672.8594	213124.8594	432095.3125	265972.4688	197150.9219	367132.1875	266180.6875	189760.2813	0	0	0	0	0	0	0	0	0	0	0	0	343168.7188	145857.2031	166668.75	77557.10938	28817.65625	26323.84766	63243.85938	7817.697266	15957.52637	55740.91016	10307.9707	0	0	0	0	0	0	0	0	0	0	0	0	0	530049.4375	175663.7344	189414.4219	238614.625	60147.08203	56482.03125	101909.7188	29180.24609	14924.23047	77624.39844	24011.04883	0	0	0	0	0	0	0	0	0	0	0	0	0
Ala-His	90303.63281	110981.9922	104912.5625	113976.5781	127544.1484	119818.4297	128218.3672	108773.2266	98268.80469	108260.4219	104394.0781	126387.375	135014.3125	134185.9219	127789.7891	109329.9844	97512.57031	112717	114779.4297	107225.9531	118812.1328	95610.45313	181364.7656	149880.2656	102685.5938	118180.8828	100429.7891	128745.125	83615.29688	110302.2344	95651.29688	117395.75	169216.8594	117622.1484	142822.4375	89720.24219	129057.4766	109933.5547	138883.3281	94762.57031	158564.375	106925.7422	147842.7969	105858.5469	112072.1016	123858.8594	101111.5078	155426.7188	122524.3672	107662.0391	134327.375	87281.9375	127406.1328	112017.4688	113248.1641	120225.6484	108024.0234	99046.71094	131557.5313	90200.17188	104453.5703	126304.3281	116233.5469	116445.0156	113021.8203	133446.7031	102441.7734	73107.98438	122418.2422	120183.6328	128223.8984	117122.0781	79803.50781	132193.8281	132703.4844	98362.25	108625.9688	125792.8125	69109.13281	107771.2578	82680.07813	102525.3516	122325.5391	119650.5156	114714.4297	161577	137680.7344	124516.7969	138767.8906	112305.2266	123569.4922	141258.6563	210893.3438	126567.1328	60266.36328	135322.6719
Ala-Leu-Asn-Ser	337193.4375	292571.4063	330932.7188	341305.6875	341671.0313	319072.6563	331131.3125	335819.3125	312368.8125	335183.2813	309227.5313	291556.3125	287059.9375	315291.9063	328701.4375	349168.125	306796.0938	297938.3125	333740.625	344865.625	310977.5	320070.875	322933.5	254970.9219	287327.625	369479.5	322228.0938	356400.8438	277598.875	305962.1563	298702.125	316064.3438	296802.4375	385484.625	342899.25	306095.0313	334870.0313	330881.9688	307565.625	298939.0938	315358.9375	319625.5313	357481.6563	337487.0313	311392.3125	325135.1563	305269.25	317597.5938	306599.25	294335.2813	296605.2813	282010.5313	362473	346973.25	365335.9688	346144.0625	282058.875	343122.0313	339398.875	308043.9063	325753.8438	333132.0313	335081.0938	271258.625	322037.125	310842.3125	296774.4688	304496.9688	288125.1563	300090.8125	369693.6875	267327.8438	315854.3125	307118.6875	337618.625	353222.8125	339972.4063	315062.2188	392683.7188	336407.25	307299	298158.3125	372309.625	316141.0938	298596.6875	294414.1875	336903.8438	382738.8125	341782.875	291970.4063	366145.8438	359647.5938	303681.4063	340921.375	347848.4688	309244.0313
Ala-Leu-Gln-Ser	244473.5938	233131.9219	245245.0469	258866.8906	253363.6406	254244.2344	219808.1406	243222.2656	234918.1719	259773.7656	234560.0938	214670.125	200601.125	240790.6094	233160.2344	250050.1406	258147.1875	223057.4844	234119.1875	233000.5156	234010.75	241383.3594	234999.0469	209298.1719	203389.8438	267024.1875	239297.9219	235346.8906	215685.1719	221399.6406	265977.125	221532.0313	238401.2344	271584.9375	254149.0625	242206.3281	246594.7969	245742.7031	243692.875	203100.2344	232803.0156	242622.5938	271388.3125	227604.2344	214109.8906	234969.6563	210396.4063	210959.2344	211151.0938	255348.8281	238415.875	199298.9688	270103.4375	258704.125	256681.6563	250968.0156	223825.2031	231257.75	243589.4531	222716.1719	221427.2031	253672.0625	248817.9531	211075.4688	246505.9531	228273.5781	220424	237239.3281	219334.4688	208455.875	260612.9531	204023.7813	227306.3125	250763.8906	242971.7344	267611.6875	227764.8125	216132.7031	246143.25	245140.1563	226237.9375	222779.9844	232922.0469	261797.1563	194016.875	205156.9688	276304.625	247181.2031	256869.125	231237.0781	254822.8438	233673.4688	243218.7188	240279.6719	254583.75	228664.375
Ala-Leu-Trp-Ser	186126.3906	116133.4531	140632.8125	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	130836.8438	101739.9141	179623.75	193011.0313	123104.1172	130997.75	144889.4531	123070.0469	164074.8594	332510.375	148253.7188	191834.9063	0	0	0	0	0	0	0	0	0	0	0	0	238104.5313	202407.0313	138135.25	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	286025.625	87854.44531	145113.0156	135952.6563	0	0	47151.61328	0	0	52559.11719	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ala-Lys-Ala-Arg	123408.6563	194736	134130.3438	218309.4844	190872.2031	163256.0938	245296.2188	281420.25	308745.9063	120320.9609	257140.2031	100957.5	102492.0625	287332.75	256882.2656	101728.6406	170728.2813	361613.8125	372516.125	269229.0938	198399.5156	123517.7188	137484.2188	224850.5	69835.375	120981.1406	361443.5938	68919.90625	94712.5625	117119.9141	54082.57422	172821.9375	260481.4688	108756.8203	130885.1016	269677.25	265876.6875	112565.9922	279861.9688	177373.6719	173276.0781	179832.6563	279208.25	193562.0938	241122.125	241423.8125	282180.1563	150132.4375	325809.3438	115033.3281	182485.1875	151546.9844	189376.7344	150018.6563	251600.6094	198831.4219	171659.9531	221917.4688	155779.6406	245831.4688	154733.8438	255343.75	149588.375	109010.2422	275172.2188	428930.2813	132995.4219	164201.4531	110888.0234	425411.7188	86206.66406	155599.9531	209099.2969	80640.25	307293.375	96939.41406	229892.7969	268378.875	373294.7813	122098.9531	161861.9688	117042.7031	187663.625	247375.3438	115139.6875	165986.9219	185701.5	159123.3906	229941.2188	220690.0313	127566.6953	249701.3906	191027.4063	361351.0625	154686.6875	280857.25
Ala-Lys-Asp-Gly	202913.9844	193892.6563	197666.2813	230033.6875	208590.0625	185892.2813	213647.8281	206983.375	191511.375	216157.1875	208765.1094	183819.7031	172672.1719	208804.375	205612.1094	233750.9375	202839.9688	198159.5781	225792.375	212156.2656	180528.9219	206612.1719	239371.9531	178904	174932.6719	242854.4531	207202.3125	220967.6719	185055.8125	160248.5938	212125.6563	196691	195031.875	223149.4531	214387.7188	223299.7969	214400.6719	250856.1719	198322.8125	188220.9219	205629.7656	196417.8594	233180.9531	232436.1094	193002.375	197732.5625	195334.7969	188148.8125	203763.0625	185491.25	204152.9375	166303.2344	245380.5625	185485.9531	211779.4375	207882.0313	189426.4375	215179.0781	211131.7656	195130.9063	206161.1875	215747.7813	196148.4688	178133.5781	202422.875	210714.6094	210054.875	177619.1719	199757.4375	195479.5313	210664.0938	160919.7188	200413.6563	198003.9531	190639	204661.9688	232353.0156	201815.1719	215190.25	225283.8594	181351.375	216605.5156	205871.6406	190584.0938	184987.2969	179672.6719	212070.2031	234234.4063	188919.3281	195460.9531	222529.6719	211129.6719	203478.6094	210745.8281	204082.875	185428.1719
Ala-Lys-Asp-Pro	31883.19922	29764.52344	42782.17188	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40268.66406	31016.48242	33460.12891	61089.78906	37041.97266	56603.90234	61552.99609	56387.18359	47208.55859	109418.8047	72788.5625	71186.67188	0	0	0	0	0	0	0	0	0	0	0	0	48505.84766	31175.55859	29088.8418	29606.83594	0	0	27443.42969	0	0	23329.9043	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52331.35547	20729.33203	49386.65234	35978.61719	20165.53906	11260.70215	32183.91602	0	0	17354.31641	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ala-Lys-Lys-Asp	120778.6328	81001.27344	131226.2813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	109651.9219	65644.39063	178816.1719	206727.3438	93952.28906	114212.1563	411854.2188	155811.9063	175778.625	305255.3438	296838.4688	208190.1406	0	0	0	0	0	0	0	0	0	0	0	0	193762.625	91437.60156	126741.0781	69099.10156	0	0	58360.25391	0	0	63510.41016	0	0	0	0	0	0	0	0	0	0	0	0	0	0	162774.4531	115574.3125	138333.5625	150085.8281	55894.30469	53439.25391	104072.8984	32581.55664	0	66554.24219	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ala-Phe-Arg-His	360876.0938	178245.2188	222685.3125	327693.25	223688.625	293257.7188	300572	227550	186821.8281	319947.2813	164827.0313	254519.5156	0	0	0	0	0	0	0	0	0	0	0	0	362039.5938	199888.0625	238135.8438	373654.7813	309645.6875	311049.2813	395924.8438	371082.3438	380215.7188	1074158.625	429222.9375	585303.9375	0	0	0	0	0	0	0	0	0	0	0	0	475218.7188	171129.1719	166330.7656	373426.875	190101.2188	273812.625	416501.1563	228289.8594	485057.5313	408774.4375	171447.7656	208925.3125	0	0	0	0	0	0	0	0	0	0	0	0	340072.875	185530.8125	162601.3594	438095.8438	286484.7188	301888.25	490943.25	299230.3438	220059.3281	477382.7813	245644.7031	286079.9063	0	0	0	0	0	0	0	0	0	0	0	0
Ala-Pro	309092.5	168562.2188	130987.7031	7029.832031	6327.493164	10229.08105	6104.989746	7025.544434	7221.814453	6072.664551	4989.077148	4007.842041	4207.026855	5788.451172	6434.140137	3581.422852	5427.51709	7741.310547	5067.913574	5424.308594	8303.620117	4172.643555	5356.278809	7504.099121	146578.0625	219365.4531	152205.75	286542.6563	248099.9219	166246.4531	357628.75	244778.0313	258296.2813	677904.3125	376388.4688	283037.5625	5032.067871	6308.582031	5550.60791	5404.887695	5228.324219	6717.891602	4614.702637	7178.58252	6035.754883	6345.890137	6404.077637	8118.790527	319619.4688	218656.0625	124618.7344	96468.0625	31756.04102	30942.13086	106424.3906	25809.88672	39973.32422	103627.5547	26793.97852	18728.04102	4927.822754	6402.686035	6351.763184	4424.135742	6519.025391	5554.539063	4985.84082	5440.023926	9505.924805	4231.926758	7014.675781	7504.449707	205365.8281	168661.5156	131605.8281	128846.7188	60348.78516	80978.03906	149367.5938	43420.23438	33811.33594	117177.0703	50547.35938	40077.78516	8114.885254	7465.774414	6096.489258	5128.400879	7864.943848	8226.799805	5207.789063	4491.200684	6198.328125	6878.793457	6695.493164	7539.319336
Ammodendrine	90248.64844	71968.17188	126179.9375	77352.07031	101577.6953	97308.4375	97585.21094	107211.2891	91711.26563	87379.52344	82203.13281	88821.0625	84830.05469	98607.76563	78282.14063	107316.1328	92056.53125	98574.82813	55623.125	117503.7813	95123.25	91071.89844	110919.7891	91358.80469	76709.14063	89079.69531	124510.4375	82317.97656	139724.75	108868.9844	76927.40625	94912.48438	89802.10938	105050.7109	113715.8906	91791.22656	105361.9141	104120.8906	119283.2813	94860.17188	82706.26563	104569.8984	101267.3359	101944.9531	101972.9375	94497.79688	100429.7422	81398.32031	105241.8672	101676.7969	96777.96094	89479.80469	93938.04688	117982.2969	108633.7109	90007.35938	100775.7422	80321.80469	86627.0625	93401.03125	58900.95703	86935.61719	67088.11719	69408.71875	98484.13281	101134.8906	76704.59375	87962.34375	98352.125	94146.64844	87491.0625	106992.6172	85577.6875	98174.98438	97703.49219	90754.54688	90716.28125	112361.3438	77268.55469	89349.85156	104962.1719	88829.59375	150448.4219	99310.77344	56188.33203	85451.82031	95671.1875	113767.2578	105557.1172	96855.78125	92030.77344	116648.7422	102274.7422	100136.0156	91836.67188	94457.50781
Antheridiogen-An	0	13552.07031	95484.46875	10881.82129	0	91609.39844	0	0	75207.67969	0	0	128541.1328	28840.02539	71942.05469	497348.4063	58052.75	71117.41406	326878.4063	76062.85938	117936.1406	319390.5625	113285.0391	244002.3594	208336.3438	0	0	129256.7422	29210.71289	0	117236.0391	12507.78223	13157.84766	173053.2031	15245.69434	29125.57422	146770.2656	57486.10156	78199.39844	212388.3438	79695.28906	121944.9297	222185.4531	69230.625	75623.79688	184961.4531	82964.66406	155093.5469	187323.8594	0	0	68006.41406	0	0	71633.41406	0	31167.4082	116163.6406	37117.58984	13579.36621	107601.3984	62770.96875	88778.17969	969172.9375	80598	93832.21875	242608.875	67324.04688	109704.9219	524595.5	78532.89844	146693.9844	219251.1094	0	0	75498.51563	0	0	111824.25	0	0	63289.13672	0	0	86895.45313	89801.75781	66112.8125	256986.2969	91350.75781	80507.46875	268950.375	67908.92188	129914.4922	207180	115216.7578	105608.1016	189584.4375
Apigenin 7-(6''-malonylglucoside)	20545.46484	20428.0332	17780.18164	79620.58594	64786.0625	59548.64063	151119.375	144700.7344	131977.0156	317593.5625	172605.7813	249144.3281	0	0	0	0	0	0	0	0	0	0	0	0	12065.94336	19890.77539	12625.93652	33555.70313	32596.68945	47119.82031	27542.33203	36244.41797	45117.73828	20947.62695	34726.82031	42297.58594	0	0	0	0	0	0	0	0	0	0	0	0	12044.2793	24212.38867	0	43967.26172	59885.10938	54883.62891	142939.7813	67123.47656	113868.9063	277200.7813	133980.4688	166009.5625	0	0	0	0	0	0	0	0	0	0	0	0	17662.08984	16998.43945	14389.91406	66103.29688	41683.55859	94883.8125	96359.61719	83116.5625	100723.8203	141700.0313	190398.1563	192501.375	0	0	0	0	0	0	0	0	0	0	0	0
Arg-Asp-Asp-Gly	36384.28516	37963.25781	56791.24219	48081.50781	31826.36133	63135.74609	55686.62891	22934.24609	55487.90234	36813.78125	30494.73438	51929.94531	49805.79688	56165.22266	80876.15625	51831.21484	68365.25781	70031.32031	73925.89844	67466.48438	92074.1875	68163.4375	76226.30469	73181.89844	40027.04688	29771.94727	51780.26172	40236.03516	25447.96289	50794.90625	31003.05273	35579.74609	58232.50391	44992.18359	39440.98438	47446.46875	64551.21875	73271.40625	69483.5	81704.35156	62216.80469	96048.61719	65121.46875	62463.85938	74056.88281	75526.95313	81843.24219	77182.30469	35060.31641	37084.36719	64218.25	30624.20117	37096.8125	54282.65625	41477.85156	33027.41016	61265.89844	40844.99609	36868.81641	59071.91016	63656.25391	63693.02734	119450.9766	51187.83594	75233.75781	97929.3125	49140.67578	68328.8125	78526.6875	66184.30469	69262.82813	76224.73438	41360.05469	31662.51367	53202.86328	44407.43359	29710.66406	67570.52344	43445.22266	31209.86133	56484.15234	38157.94531	41923.80859	52146.22656	67584.77344	64402.60547	59864.65234	59421.52734	77039.08594	75405.73438	72686.32813	57411.09375	81205.55469	61691.64844	70443.33594	62393.90625
Arg-Glu-Ile-Val	163814.7031	117702.1328	103001.9609	118643.125	193655.8906	172608.125	151177.7656	164492.7656	166083.1406	164206.875	191181.5781	172856.5625	125890.8203	137803.25	228845.2656	156819.0156	173734.9531	142926.4063	205407.3125	215340.2344	221200.3125	116717.9531	173131.3125	138208.7031	90649.1875	143917.5781	134990.75	162244.8594	136967.375	138936.8281	96923.89063	122938.2734	117092.7188	155654.0313	156064.1719	223847.4219	141818.2188	146722.125	145508.3906	140893.4375	113370.5156	84506.66406	187813.0469	188134.2344	158536.2188	156533.8906	176304.2813	153866.8594	134313.4844	265237.6563	153790.8125	159754.6719	141493.0313	208748.0156	106137.1172	89750.39063	191477.3125	140541.3125	196907	238846.0156	111436.4063	178972.6094	158395.5313	76826.99219	107228.2344	184900.6563	82914.82813	132726.3438	143330.6563	95459.85938	146350.75	163167.8438	115333.25	128191.0859	158224.4844	163394.6719	188899.9219	155549.5313	151393.5781	153532.3125	281030.2188	127729.9219	125818.6875	134349.9688	107748.8516	110229.6719	117897.4375	170362.3594	148904.5	213463.5313	174258.2188	186736.4219	155329.0469	161315.2656	178621.6563	239732.9844
Arg-Lys-Val-Ser	151951.2031	64957.62109	54830.73047	113958.0703	58440.54688	88783.04688	152379.4375	227184.5156	119806.5391	91979.48438	36911.80469	166693.6719	67166.42969	54540.57031	141187.4063	83321.21094	47993.99609	80380.75781	81174.46875	143407.9063	59668.49609	127921.25	58982.05469	112736.6563	132928.5469	59620.17188	68728.96875	96130.78906	52246.55078	214353.2344	59994.19922	96567.39844	124181.2656	105338.4531	116564.375	53224.32422	93174.10156	43673.99609	67429.49219	80425.07031	33399.46484	93588.04688	116406.6719	111998.4531	73370.90625	57214.71875	101358.3984	110706.5078	120398.6953	89101.83594	50954.86328	63913.34766	79117.47656	43906.23438	51859.58203	82620.19531	81122.75781	117297.7422	100491.7891	150714.7656	55610.66406	91996.77344	77011.96094	111955.1094	251537.625	51358.84766	81237.77344	36585.56641	91861.48438	111795.0781	75370.05469	67667.375	106883.1094	107949.3359	85335.21094	53565.9375	183365.4844	42518.99219	110982.2109	83076.96875	65586.34375	56732.41406	79142.39063	123933.8828	81728.78125	76266.01563	54772.96484	50502.40625	220632.875	75159.75	134616.2188	187745.1875	86887.80469	87491.1875	65381.76953	66431.67969
Asn-Asp	89202.98438	70645.92969	122620.4609	64213.98438	52669.32422	73973.23438	57912.30859	50892.5	94882.57031	60352.11328	53111.16016	74426.83594	40934.30078	56118.83984	54564.57031	51848.41016	66686.17969	67714.50781	47098.87891	65990.75	64251.62109	55147.86328	51001.66406	67233.1875	73532.99219	62869.75	107162.1719	121913.0703	79403.22656	116275.2656	135298.9531	76074.15625	111062.3438	135084.8438	80777.78906	115008.5391	58678.85156	50580.56641	65944.95313	62163.26172	52807.26563	60377.02344	51649.42188	54851.33203	64523.61719	70048.89063	52056.33984	69836.39844	97739.53125	56577.52734	112100.2734	68961.47656	49695.60938	78316.74219	80939.32813	56632.16016	75339.39844	74030.39844	58380.02734	65784	51327.39063	58993.84766	103564.0703	51160.89063	61669.89063	61735.44141	45605.97266	62887.62891	64501.0625	52851.51563	58296.64844	71350.60938	76747.36719	72785.78125	78713.40625	88349.26563	62556.59766	86428.53125	83097.625	52410.72266	83015.375	67449.58594	70892.23438	71409.50781	55920.05859	68088.83594	64661.70313	66207.09375	61124.91797	64358.39063	51651.3125	69159.48438	65323.96484	65598.49219	64966.40234	73852.19531
Asn-Glu-Glu-Ser	48309.49219	0	90511.91406	44756.40625	8426.609375	0	33596.89453	25429.83594	0	53971.75	36364.96484	0	0	41125.53906	101602.1406	28832.94922	0	13987.37305	0	0	0	0	14501.63086	0	13794.12402	12597.54102	0	31824.14063	14880.87109	0	12240.57227	34066.67969	0	40765.59766	13052.1543	0	48695.21875	31109.50391	8114.698242	8960.357422	20966.28516	83364.74219	0	16845.01953	0	29132.43555	24867.67578	0	62198.36719	26305.99414	0	24617.86719	0	0	46063.41797	32969.94531	65707.55469	123660.5078	14336.91016	23344.83789	26874.71484	98253.22656	127048.7109	0	0	0	0	0	0	10875.8252	0	69162.77344	38485.16016	15974.7041	0	34264.70313	0	0	43682.96094	17196.11328	0	33566.48828	12525.4834	0	0	15939.20117	0	0	13647.12109	0	45285.0625	0	0	30988.4375	8222.126953	44583.91406
Asn-Gly-Tyr-Tyr	156727.7969	214737.8594	155303.8125	139042.5625	150917.6719	224815.5781	113492.1094	132840.5	225044.125	148706.8594	116167.1719	171016.25	106055.7266	101650.4219	229144.9844	149977.1719	232571.5313	147457.4063	107362.1953	132560.2031	148451.6719	128641.625	144218	168512.2969	119199.4297	124250.7188	221157.4688	152157.5	146588.8438	240086.8125	134981.4219	135245.3594	184574.5	119058.1719	127732.8984	154462.8438	140687.0156	158656	164484.75	109190.9063	252557.4375	120244.1172	134492.3906	134418.8438	238918.8438	119142.5156	238755.75	154973.0781	121565.2656	251168.0625	123992.2422	225109.5313	166054.1719	250138.5156	106821.2188	175788.3281	219206.3125	140317.7188	148841.4219	149708.5938	106058.7969	192736.4531	119114.5703	124871.4531	150511.1563	178971.6406	102851.0469	197822.625	238212.0781	85500.17188	137821.8594	163454.375	161305.0469	171434.7031	138146.0938	137316.3906	199879.875	173318.0625	176539.7969	150738	191168.75	144178.8906	180860.8594	198422.4688	113257.2266	166233.9063	136513.625	217014.625	221583.0313	155406.2344	115978.5313	214780.9219	175446.6563	155899.5781	117187.2656	158587.2344
Asn-Leu-Gly-Ser	50116.89063	194551.5625	195599.125	129488.7266	123093.8672	62944.56641	224709.7969	187143.0313	133360.8594	67274.60938	196843.25	85436.39844	62717.76563	101708.2891	243429.6719	110040.1094	141690.3125	336672.0313	161059.5781	128026.7188	151230.4219	113130.75	41877.75781	187431.3438	65258.01172	113310.7813	157844.4688	55514.57813	42937.89063	118589.2188	186859.6719	102260.4609	117116.6953	52253.33984	64663.46484	152717.7969	154910.2813	90213.0625	174250.7969	122163.2188	93484.42969	84775.25	46644.66797	75974.75781	66804.35156	167356.3906	343247.6563	39975.05078	217198.9219	92000.89063	91013.02344	126264.2734	174307.5781	84114.55469	61194.72656	77979.95313	147867.8906	209090.6094	189421.4844	68845.875	73274.09375	83696.90625	106425.3047	48684.67969	155261.7813	338601.2813	158143.2344	164298.75	75266.15625	97914.125	234678.3906	79482.20313	123125.0156	86674.44531	117461.4297	51803.89453	181833.4531	147799.6875	241889.7344	113611.5547	99714.90625	47667.42969	79619.01563	155675.6094	100541.5703	132468.2813	162656.625	117765.7578	137600.8281	175755.1719	230592.8125	200138.3594	211406.9844	101367.9844	140585.0938	130958.4766
Asn-Leu-Pro-Pro	176393.4375	103996.0781	131625.6719	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	167567.1875	98561.70313	102115.2891	214897.9219	143143.6875	132984.6875	326605.4688	178197.7188	127345.0469	513832.625	310428.6875	194531.8594	0	0	0	0	0	0	0	0	0	0	0	0	241458.5313	104898.1875	77305.96875	35598.48047	5500.872559	0	39159.50781	0	0	28867.33984	0	0	0	0	0	0	0	0	0	0	0	0	0	0	161649.0938	91792.21094	107781.0938	101406.125	22183.85156	23919.33594	76127.0625	13175.29883	0	32533.93164	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Asn-Lys-Gly-Pro	56536.375	27949.79492	33608.32813	13781.45605	0	4755.079102	10406.52539	4355.625488	0	8609.71582	4867.188965	0	0	9463.564453	0	4982.166992	8336.850586	0	6966.934082	4429.347656	0	10800.63965	7973.021484	7578.40625	57723.09766	29115.73242	40107.47266	66408.41406	35805.61328	40557.42188	69920.16406	46998.64063	42353.08984	112656.3047	60372.88281	44246.36719	11364.73438	4313.612793	0	9890.026367	8856.84668	0	5557.319336	9409.987305	0	8896.525391	6139.382813	0	61101.88672	35106.90234	39917.70703	42614.69531	22550.99219	17757.55078	29540.02539	14740.20703	4370.980469	21936.18945	7335.47998	3239.665039	5763.751465	5305.952637	0	0	10122.96191	0	7784.898438	12280.24414	0	10440.08496	10739.08594	3492.157227	68582.27344	30940.10742	35524.45703	60551.08984	29969.18555	29221.73242	48270.01172	20611.67773	9239.295898	30661.39063	12108.80664	4991.785645	4476.774902	6643.081543	0	8287.587891	6281.650879	0	5355.121094	8755.167969	0	11136.66113	12412.82031	0
Asn-Pro	250898.8281	275798.4375	217990.5156	414447.5625	297764.75	206694.6406	413031.5625	301780.6563	260761.5781	318781.9688	296272.1875	196449.3594	345539.7813	496028.6563	191616.875	410581.5938	480538.8125	156214.6875	312191.3438	637384.6875	227801.7344	319990.4375	519426.1875	173393.7188	283637.625	267824.4375	219474.5313	275654.0625	237662.2969	191944.5313	348785.5938	300734.7188	179054.625	340654.8125	314402.3125	217614.9844	354821.0625	439609.0313	202742.5625	399065.9063	424200.5	175835.7344	409561.4063	353342.125	189541.5	365907.9688	417604.7813	156355.6094	310030.4063	302018.0625	165963.5469	292103.9375	219576.8438	201876.8125	321331.8438	295039.4063	208832.0469	341790.8438	228551.9375	217946.6094	329928.5938	460096.5625	335509.7813	312170.2188	439562.4375	225848.3125	302019.7188	458401.9688	212332.8594	371093.9375	481002.9063	159590.875	337745.2813	310219.1563	162735.3906	267860.5625	240994.1875	179851.7188	340500.375	267653.625	168720.5313	335927.625	319628.0938	204993.9219	329461.5313	369835.75	196237.9375	374008.2813	451612.7188	164467.2188	671939.4375	585089.5	154877.5156	372570.2813	386356.875	205132.7656
Asn-Thr-Asn-Asn	49525.17188	49355.48828	42028.57031	61252.57031	45866.45313	48114.42188	50917.13672	39256.71875	54696.07031	42770.88672	48332.13281	49922.40234	56308.80859	69530.3125	68363.20313	73651.78906	78293.46875	70361.20313	96533.34375	70496.61719	117499.0859	92303.70313	89739.29688	67054.78125	40020.80078	36602.28906	49122.60938	41881.68359	48966.375	51061.77734	40722.04688	38284.92969	49592.14844	46160.58203	34828.29688	52209.31641	68318.64844	65823.30469	58274.76953	75285.05469	94983.32031	72168.86719	73866.80469	75928.1875	64516.625	92957.07031	94084.23438	81966.39844	44894.78906	39173.60547	48393.71484	28359.94531	50447.25391	64170.34375	43765.40625	37516.77734	54839.19141	41957.61719	49345.81641	52553.62891	64212.26563	82144.72656	120994.4453	52381.60547	70199.38281	74054	53674.35547	74418.625	83516.28906	71073.25781	73982.25	69476.82031	57665.74219	44164.04688	55229.63672	52216.30859	46635.54688	52111.5625	49684.45703	40816.28906	49020.26953	46172.25391	40896.35938	57029.57031	79518.71094	59930.62891	53719.11719	65456.35547	76146.44531	51984.90234	84861.04688	86191.78125	62513.96094	87966.71875	89554.0625	71109.55469
Asn-Val-Gly-Ser	107142.6094	101495.4219	98236.24219	108679.0391	111418.3047	105333.2344	113152.25	124752.4141	103487.125	118217.8281	111876.7656	107127.7813	90432.03906	100403.8125	113505.0625	103758.5625	92408.52344	96242.4375	108865.4844	97048.90625	94806.23438	99839.28906	102431.9609	85326.6875	105658.6875	125420.6641	119835.8438	99794.75781	99529.09375	95927.60938	118428.8203	98073.67188	99865.45313	122678.5469	100810.7344	115695.3672	105960.9688	107481.1172	112827.0156	88946.79688	104626.6328	100265.5469	115444.0547	117752.9219	93942.71875	101223.8906	102542.9297	106464.6641	102414.6016	91559.27344	93274.5	82677.51563	109955.4922	94759.22656	112093.0469	112779.5391	92657.79688	112482.3984	111075.0078	90828.53125	100234.7422	103945.0313	101092.1563	89918.1875	103665.7031	115087.4375	86579.73438	101155.4844	103630.5547	97752.94531	107268.8672	84085.84375	95454.875	113838.5391	97860.95313	114205.4766	111786.0156	106520.5938	118747.1953	110017.7969	94173.9375	112730.1172	109421.3125	106707.9766	89143.15625	90407.27344	97297.29688	113449.6563	96385.91406	94403.92188	115390.8672	108256.8047	96681.41406	104055.4844	120350.6406	99509.24219
Asp-Arg	55427.28125	48188.35547	81281.98438	56834.89844	41300.21875	73491.36719	52868.11328	52738.07813	79943.22656	50104.20703	42203.35547	82216.67188	55822.39063	70399.39063	83198.40625	72637.77344	68004.27344	96407.14844	56138.04297	68176.57813	86688.6875	80819.10938	74349.08594	72416.91406	50537.4375	48533.03516	77828.10156	59619.86719	45606.41406	78648.35938	45230.27344	42896.44531	60124.90234	52659.875	39733.06641	78185.26563	63975.75	67271.32031	91269.47656	89039.96094	82715.20313	74116.78906	64912.64453	82175.49219	81445.42969	79009.92969	72981.9375	78175.85156	66996.34375	51622.06641	71591.07031	46713.10156	56575.90234	83705.21094	51264.90625	47081.58203	80426.07031	56916.98828	57036.54297	75898.89063	57649.97656	79456.03906	124462.5234	60281.75391	67836.64063	79173.92188	53340.83984	80701.47656	64028.1875	63107.02734	59106.46094	77294.64844	65613.57813	39411.61328	81007.20313	37448.23047	39511.59375	77564.72656	63791.78906	40750.18359	67816.8125	53607.67969	38145.30078	83734.88281	69229.05469	67387.375	91565.19531	63102.18359	79098.61719	79715.4375	77665.59375	70680.71875	88378.46875	83423.29688	63904.46094	94916.46875
Aspartyl-L-proline	1348423.5	1349367.875	743076.5	47190.83984	31623.12891	27515.48633	34879.9375	21169.20117	31067.50781	35952.375	22536.82227	22305.38477	349610.4375	207311.3438	1097292.625	235997.7813	396499	931056.0625	24961.66016	28770.92383	27454.66992	34759.5	36109.77344	19000.7832	1208173	861162.125	708137.625	1796032.375	1106950.625	933923.375	2959418	1223269.25	1359937.625	3187548	1528927.25	1434219.625	536011.125	637267.125	1086231.625	204106.7813	691516.75	771279.4375	32266.60938	33222.79297	670633.0625	47536.13281	38685.37891	911315.1875	2080167.375	899420.25	761508.4375	381122.125	104575.6328	151375.4375	473548.5938	296049.0313	494167	457041.0938	300310.125	394765.0625	19251.00195	36521.60547	29382.67773	25540.92773	40394.57031	25304.99023	43142.57031	35898.10156	1069139	765079.6875	35141.73438	18890.87695	1986647.375	1008313.438	828631.4375	912461.625	316924.125	277763	649473	195722.5781	372226.75	812371.25	313238.375	658471.75	26931.50391	24144.38867	18420.16406	35348.69141	35845.50391	21383.59961	39458.91406	638130.0625	855323.625	40075.82813	36715.66406	28312.29297
Asp-Gly-Arg	54957.30469	47635.16016	74814.64063	70028.07813	59986.70313	79620.59375	60779.78516	59583.58984	77583.85156	69034.53906	55422.06641	82853.29688	61281.49609	92441.20313	101798.1094	87712.23438	92251.44531	90041.79688	84135	86807.8125	101545.2031	91516.32031	103340.6172	102099.1953	52260.27734	46817.19531	77141.32813	50964.52734	53361.90234	78727.60156	63256.57813	72817.26563	92516.88281	67585.83594	55204.47266	77288.10938	68617.125	118205.0547	83469.26563	100038.4141	102232.7813	108378.4375	95207.45313	79438.39063	112888.0547	94516.05469	110239.4766	104783.6172	59717.87891	48141.79297	61682.58984	59337.32031	64119.03125	80518.97656	67973.91406	54909.16016	83742.85156	70122.08594	57868.74609	83593.70313	65658.29688	89648.02344	136966.8438	68354.07813	98464.17188	85420.39063	75126.59375	93352.125	105936.6719	88389.35938	87419.28125	90259.30469	62155.88281	53867.53125	88269.74219	58096.78516	66530.17969	84565.46875	67560.42969	41673.15234	77333.78125	57362.58984	58679.46875	75774.78125	76691.91406	99352.88281	98735.99219	94443.29688	112379.4844	87110.64844	102535.875	97676.42188	105639.0781	92583.82031	114135.8594	83311.30469
Asp-Leu-Lys-Asp	49861.71484	35322.35156	49038.67578	81641.94531	50092.40234	35960.22656	48221.09375	39286.86719	45048.76953	43811.51172	49331.38672	40476.57813	62333.29688	68670.6875	55003.35938	76464.73438	62614.87891	43363.24219	50610.62891	55562.00391	40154.48047	65721.74219	80203.88281	45041.78516	71835.29688	35811.32422	62599.91406	90916.77344	46387.37109	57891.68359	179193.0156	70617.53125	78849.60938	158281.4375	103863.5781	106347.2813	60070.05078	63394.82813	35718.5	69170.03906	57498.97656	43501.50781	64395.26563	59239.83594	41611.60547	75205.63281	62791.08594	38695.25781	79219.32813	49519.23438	43780.48438	41367.73828	38983.30469	35868.84766	117728.0234	36808.3125	42060.25781	118636.4688	59026.47266	38103.28516	49648.96875	65610.23438	61688.69922	55434.29688	66550.34375	42089.04688	52897.72656	60016.08203	34110.5	48294.13281	61307.35156	44063.625	83330.54688	44286.22656	58673.54688	109238.25	57418.26563	39581.41797	146807.6875	48508.84766	46840.92969	89682.5625	60739.62109	45527.45703	60915.09375	86974.63281	35467.96875	70090.53906	72637.91406	36209.96875	69817.32813	80600.57813	36355.77734	70077.95313	64041.17188	44435.79688
Asp-Met-Gln-Gln	79846.96875	73653.85156	110647.0469	85164.71875	54293.02734	97374.6875	92406.1875	50739.35938	135409.9844	53986.66016	57033.80078	136822.1875	116447.1016	107005.2031	189174.5469	120842.3516	115542.6016	173947.8906	86701.48438	141075.7188	161500.4531	146321.1875	144514.6094	121078.4688	67992.26563	63687.89453	140261.0156	69894.375	66431.95313	140398.1719	84392.4375	78391.41406	99854.47656	90677.90625	86863.10156	159353.5781	141398.8438	120334.3359	141359.0938	120271.8594	161100.3125	176990.0469	110867.2109	114355.4688	148746.9375	193040.25	186494.0625	147680.9688	53821.58594	108351.5313	116364.0781	54503.55469	51568.02344	120276	67878.13281	64200.70703	111650.6563	88760.42969	79045.08594	120610.0938	110083.2891	127930.3516	215361.6563	102622.9609	160242.5469	113609.875	175074.2031	114504.3359	131416.1875	142191.9375	122861.5938	134073.4375	83533.88281	52078.59766	120470.125	65072.46094	61947.59375	144576.1406	74100.46875	45032.08594	108689.2031	78336.35938	117130.9453	106819.9453	154990.5938	120320.1797	147338.0156	131383.1719	107002.4063	126236.1328	123139.8281	133476.9063	157642.5625	143427.7656	137359.2031	121298.8203
Asp-Val-Pro-Ser	363635.2188	252007.1875	217659.0156	342650.9063	268733.3438	178765.3438	257569.1719	101903.9609	134795.0625	187194.9531	102823.625	107043.6719	0	0	0	0	0	0	0	0	0	0	0	0	279148.6875	211494.6406	210305.4531	431819.5	233852.4844	350983.7813	1022230.188	386293.0625	394476.4375	932552.4375	468272.7813	560333.5625	0	0	0	0	0	0	0	0	0	0	0	0	344050.0625	226736.8125	193035.9219	315694.4688	210099.5156	197885.1406	483970.8438	205791.2656	152313.8438	429710.6563	176970.2656	171557.5781	0	0	0	0	0	0	0	0	0	0	0	0	425600.125	228398.0313	161983.4375	417428.7188	237181.6406	230908.2031	495778.5625	285693.6563	225447.1563	487360.9063	233473.4219	176091.8594	0	0	0	0	0	0	0	0	0	0	0	0
Benzene-1,2,4-triol	46226.83594	62146.49219	67271.5	62291.79688	48263.65234	48928.26953	61575.00391	51231.41797	29798.71875	53695.30859	40303.73438	39056.85547	67394.38281	75656.6875	64210.79297	95342.80469	83830.8125	71774.5	102465.5234	79001.63281	73341.0625	90522.23438	58882.55078	53432.10156	35111.82813	34284.8125	57963.65625	55263.21484	43894.02344	42813.48438	48722.19141	56092.84375	40295.91016	90287.00781	57278.95703	51887.76172	78977.71875	94807.16406	103960.5078	125021.9141	112223.4219	85468.74219	116435.0625	101443.6563	91567.72656	86402.85156	96604.00781	119611.2656	48899.50391	68055.8125	44976.26953	43383.85156	57576.98047	43382.01172	61890.41797	49031.5	44587.16406	56314.82031	43850.54297	29653.125	80856.88281	89715.77344	104319.0156	93765.83594	78695.53125	87139.60156	70176.35938	76919.41406	59475.875	64948.56641	79854.64844	73480.92188	44272.60156	54897.77344	44380.45703	55803.91406	57719.57422	40639.85547	62440.30078	42120.96094	37041.71094	62832.91406	51157.28516	45704.94922	87376.39844	68815.09375	232707.6719	90014.71094	98068.28125	64932.95703	84524.07031	66079.30469	95954.55469	97309.45313	91854.4375	51526.17578
Betaine aldehyde	189824.2188	164417.5	173066.0938	196461.4688	174996.5	144032.4063	178580.7813	150501.3594	186530.625	172115.6875	155807.375	186048.5313	153427.0313	147813.8281	160445.9375	183747.6563	166214.7969	165406.8281	168310.5781	152301.8125	205087.4375	182244.625	169144.1094	151367.3281	139235.5938	186668.6563	182575.2656	163692.7969	166927.125	151148.0938	129957.5313	154909.2344	176691.3125	167738.6875	144066.8125	195516.7969	171699.0156	168106.1563	168590.7656	182107.6875	145839.625	176544.6875	221338.9219	152514.7188	192196.75	177368.5156	154377.9844	152784.9531	131675.0156	132734.3594	163983.5	144206.1875	188554.7344	195281.8906	177226.3125	173932.6563	166859.5625	195838.1406	155486.9688	167096.8125	172586.6719	162235.9375	189049.2031	156533.6563	176387.5625	185408.6875	205723.1094	169377.125	167693	152435.7813	156345.0469	156696.9688	212069.6719	168934.125	176088.625	164739.3594	188352.6406	165153.2656	161112	170073.9688	179416.4063	161568.5781	190512.5156	158230.4219	156564.0938	149831.4063	189260.5625	166029.4844	184833.8281	161780.1719	190368.1406	143325.3594	200304.8594	169192.9844	159322.4531	158668.4063
Biotin amide	94866.24219	112676.9453	249463.2344	165699.375	100866.875	308226.25	183263.7344	127955.4063	241883.7188	117212.7109	104933.4297	297967.0313	159973	157975.0313	248943.8438	188458.7656	204937.5313	375829.125	130308.0625	164471.625	230394.625	153254.5156	188722.4688	247924.2656	100110.7031	127223.0469	157543.1563	121071.3203	147326.0781	271517.1875	114759.2656	99262.1875	256969.7031	184556.3125	143356.875	237139.9844	163903.2188	158109.0469	299423.125	194348.6875	210215.9375	313685.9375	177016.2813	175737.3906	267691.1875	175674.5313	292269.3125	194915.2813	111884.5625	160929.2344	230104.0781	123958	134008.1563	194652.3281	86610.39844	128589.9297	200914.6719	181897.4063	112670.7813	222148.0938	140089.4844	224136.4531	318481.0625	104202.8047	179490.7344	244549.9375	113995.3906	215765.4063	181173.3438	161552.1563	183130.5938	211727.2031	106972.125	120104.3516	211667.0625	99725.3125	97699.82813	250381.7813	183753.25	147168.4531	202646.0156	188670.3906	108445.3359	294085.5313	104017.9609	222151.6406	245283.6094	177137.1875	209560.1094	244521.7813	175216.625	183382.5625	242527.2344	201806.6719	203357.7969	349572.6875
CAPS	5362619.5	5062450	5833675.5	5230068.5	6182884	5663345	4888521.5	6111397	5273906.5	5049815	6761426.5	8879479	5294141	5421238.5	6945114	4742156	5709523.5	7312971	4944888.5	5663160	6619950.5	5254693	6394399.5	6104832	4264724.5	5296224	6253458.5	5102237.5	5103486	5912181.5	4214526.5	5125551	6338903.5	4656193.5	5811092	7437157.5	6694207.5	5923956.5	7940358	5815431.5	6187119.5	6827657.5	5222690.5	6189868	6860838	5086705	5679197	6871473.5	5619380.5	5497213.5	4838108.5	4594534.5	5092655	6331108	5366771.5	6340901	6289707.5	5377391.5	6064558	6805437.5	4703424	5737753	10768516	4580238.5	5527036	5855935.5	4861989.5	5756469	6838600	4960692	5547969	5035697	5090901	4918351.5	6715044	4917834	5689538.5	5938672.5	4612353.5	10855628	5391779	4897218.5	5184318	6929507.5	4913619.5	6768156	6829824	7401313.5	6759839.5	6398426	6320184	5944805	5956408.5	6061293.5	5233666	6514378.5
Cathasterone	308663.1875	316240.9688	380345.2188	362016	347633.3125	359645.3125	333604.9688	325501.6563	340374	343534.6875	337887.4063	327035.9063	306669.6563	323843.6563	387630.25	364270.875	386786.75	353722.3438	328882.7188	340369.3125	442568.1563	363273.875	325207.9063	334155.0313	289823.25	341659.75	358948.2813	297043.625	295923.2813	292507.4063	307179.75	346652.625	364182.2188	366004.3125	330812.9688	382794.7188	319225.6875	305591.625	326099.5625	350604.6875	295266.5938	276359.1563	342118.875	435530.3125	348774.8125	351894.2188	328665.375	291982.625	344621.9063	356523.75	366001.1875	262645.4688	313052.7813	322615.75	313083.6563	306525.4063	326692.1875	281108.1875	318791.5313	290208.9063	296394.375	350908.3125	318421.5	275964.3438	302300.3438	307645.9063	256906.5469	289588.5	289712.5938	270838.7188	356299	307660.9688	336673.7188	288618.0313	315083.9375	328765.3438	372903.8438	380222.875	317350.1563	295182.5313	310440.8125	304012.7813	332168.75	386462.375	283268.4375	324130.8125	330200.4688	362316.25	347512.4063	322670.375	339330.9063	392109.6563	375069.7813	330277.6563	299010.875	277030.875
Cer(d40:1)	60311.57813	41407.19141	113931.4922	63071.92578	66315.20313	111284.25	38269.65625	71717.50781	68163.3125	60651.65625	72418	77313.34375	45799.57813	35061.41016	34375.58984	35469.14844	39248.15625	64109.01953	0	23807.47656	30015.26172	42171.89063	36389.27344	66180.02344	50451.87109	75175.28906	81538.95313	43771.96484	54076.77734	85496.05469	44188.95313	39630.01172	59322.55859	48047.91016	62580.28125	82099.51563	106483.9297	44038.48438	85398.64063	58864.23438	11396.75684	109193.1484	50098.32422	31733.99805	89826.44531	32766.5	5339.85791	68681.67969	72738.78125	45362.89844	131292.1563	83495.25781	52010.37109	116040.2578	43307.89844	79274.69531	66684.1875	41111.53125	43495.22656	65620.125	9494.810547	19231.75195	15926.11719	33015.31641	30975.75586	82325.67969	44652.44531	19461.35547	24209.12109	54692.16797	16614.76758	66838.55469	34393.48047	60413.96484	80852.77344	52547.03516	67487.79688	112161.2422	50388.55469	45280.78125	81073.97656	54478.07813	59178.96484	70350.51563	10365.22266	93660.05469	251123.8281	70356.30469	35386.01563	91223.67969	34795.26563	13823.77734	86727.46875	54391.33594	13576.63965	107061.6094
Cerulenin	128038.0547	116827.1328	108033.4844	125358.1484	100993.2891	104277.1172	109424.7891	98826.3125	112507.7266	103953.0703	99409.39063	130683.5078	103435.25	136657.3906	138762.9844	120705.0313	114698.2031	109721.7656	90059.53906	117441.0391	136139.0625	119771.0313	135494.9219	129948.2031	85369.35938	98060.46875	122835.7578	86831.64844	96309.67969	96160.74219	109985.6719	92929.52344	108419	106495.1094	114133.0313	110549.5625	108204.6016	111811.9922	114246.4766	96074.0625	117136.1641	124267.7266	102497.0703	133002.0469	127827.0391	117091.3281	118405.7109	123385.5781	92137.27344	108286.1953	121002.9219	98809.82031	97072.39844	117130.3203	114116.8359	124455.9922	114258.5156	99596.57813	93331.57813	105896.4453	89259.79688	116950.5781	103084.1484	92111.69531	99655.70313	146867.9063	109880.625	124382.0313	104188.1563	89426	107862.0547	117976.7656	105430.2109	115458.2891	97879.53125	90994.75	94136.42188	104262.4297	148671.4688	104099.4922	110587.0703	87336.07031	141129.9844	102834.7969	111537.7188	108766.3984	122686.9922	114733.9063	125670.3281	118416.1406	108711.0781	124780.1719	134419.4844	116903.5859	110547.7188	127973.9453
CHAPS	2748814.75	2303897.5	2849499.5	2757922.5	2886346.5	2852692.75	2177805.25	2757927	2353109.5	2599431.5	2411936.5	3330868.5	2287063.25	2443924.25	2795317.25	2320715.5	2608484.75	2941148.25	1992705.5	2452754.25	2892286.5	2278987.75	2501817.25	2580187.25	1822275.75	2669860.75	2824162.25	2245882	2279137.25	2525709	2030666	2479800.5	2809244	2384551	2520854.5	2924957.5	2702847.5	2507700.75	3161024.5	2411016.25	2481950.25	3024723	2350291.25	2528652.25	3005488	2252796	2407585	2747193.75	2546822.75	2461444.5	2229481.5	2008030.625	2383409.75	2388487.25	2434865.25	2760534	2983957.75	2618782	2742923.5	3101294.25	2082786.875	2441116.25	4384953.5	1877109.875	2407780.25	2579816.25	2057937	2518853.25	2623278	2172143	2669236.75	1943152.5	2446941.25	2500327.75	2957663	2196340.25	2460034	2914558.75	2477558.5	3760663.5	2466880.75	2180657.5	2413432.75	3124211.75	2103878	2568355.5	2904552	2943025.5	2642751.75	2865494.5	2646003.25	2328310	2820460.5	2308447.75	2258548.25	2776056.75
Cholesta-5,7-dien-3beta-ol	94887.75	104428.1328	99829.08594	120348.8438	132269.9844	112553.2109	72852.03906	143074.0313	122316.7969	67423.82813	102949.9844	82569.64844	52162.88672	63368.33203	62488.69531	78435.78906	91503.38281	70794.55469	56370.10938	85243.30469	68565.10156	59513.13281	76931.07813	58018.6875	87051.66406	138399.4531	69237.46875	85199	108303.0391	117088.0625	68863.26563	88707.32813	113095.1406	112881.9219	125319.8281	100814.1719	91265.42188	63462.53125	54797.49219	69658.8125	78380.52344	103624.875	89286.75	85497.30469	58509.02734	71655.20313	83614.0625	54740.76563	163260.625	98921.51563	100513.9531	85611.8125	85644.89063	103496.7188	142336.8125	115131.9141	171807.8125	96312.14063	125782.1953	96382.53906	48832.70313	56329.10547	94537.71094	64753.41016	60594.49219	77780.27344	75182.46094	76543.57031	62981.57813	84379.91406	78690.17188	57279.72266	120769	124574.9766	109791.9531	112061.4063	118232.1484	112443.9922	93481.03906	95940.85156	109141.75	125298.2422	113764.3516	153245.2031	54153.86328	66671.1875	51663.13672	43006.11328	62506.75391	78999.41406	96553.67188	50713.57813	43593.11328	60101.99219	49791.625	70174.4375
Chrysoidine free base	79015.50781	101489.7734	87102.25781	84663.22656	95505.21875	105027.6719	82290.82031	85610.70313	93880.66406	68671.1875	70426.64063	113880.0078	89980.47656	87294.92969	80625.32031	62680.12109	104570.2578	93820.73438	101657.6172	79022.57813	109590.2656	61900.26563	68543.52344	72167.45313	72227.21875	98533.30469	79347.49219	74517.8125	85212.77344	69979.42969	78966.32031	89461.80469	90739.14063	57402.83984	79872.78906	96906.44531	73806.85938	104973.0391	104963.3516	76022.40625	101303.3281	129373.2188	112015.1094	90614.14844	96045.25	92540.29688	115487.0313	78466.50781	117742.2266	78675.63281	84134.6875	100177.8828	69691.89063	75667.67969	81409.75	96842.40625	149725.6406	128704.6953	92565.64063	133675.6719	57234.41797	71185.54688	97840.25	87929.30469	65965.07813	103434.25	96784.96094	121637.6563	99135.96094	67015.83594	79347.51563	81616.17188	112821.8828	86025.54688	80906.16406	72666.8125	92146.77344	103067.9297	103329.0938	88544.53906	93180.35156	102527.0703	104985.5469	127183.3672	74115.32813	111032.7969	76551.39844	94152.60938	86305.89063	100834.5078	85098.125	74577.35156	91001.5625	79540.59375	98532.26563	80965.92188
Cinchonain 1a	156594.8281	129978.6016	136829.125	134838.7656	91846.39844	195576.25	182279.0156	58500.55859	131390.625	120218.0156	112132.9375	177523.8906	191493.8438	178336.5469	308016.6563	337897.25	315653.3438	276895.6563	335354.75	319275.9375	274847.0938	375597.1875	378917.7188	276559	194211.9844	95275.59375	169634.4688	142525.3125	87993.5	237065.5	136398.4219	131758.4219	152920.4219	160290.5313	148995	230494.75	338544	339166.5313	306763.9375	291807.5	293680.3438	283320.8125	381904.5625	364630.4688	255569.9688	401466.0313	451965.7188	308499.0938	115931.4531	156842.4531	144214.3906	124421.9844	80370.35938	174875.625	152682.375	143741.6563	135104.2031	150629.7188	216595.4219	153573.8125	325755.6563	266482.5625	319811.9688	244064.2656	284764.6875	303547.4688	338401.5	373288.5313	311574.9688	293374.8438	312865.8125	321594.6875	196638.6406	86958.39844	183222.9219	110142.9297	92799.54688	217243.7656	143194.25	114916.0391	134566.8438	193847.0156	135915.0469	184912.5	441909.4688	281712.25	282702.5938	294034.375	268324.9063	360956.25	297474.9688	443359.5625	210189.7344	322836.125	411977.625	273223.3438
cis-1,2-Dihydronaphthalene-1,2-diol	137766.0625	221610.4688	199566.1406	139744.2656	169548.5	194008.7188	122363.7813	153752.8438	156107.5156	136819.1094	155263.125	172827.125	112824.0625	138719.0469	174941.5625	105910.3516	171670.3594	157506.6563	138350.2344	159184.25	154083.7813	107882.6016	145037.8906	145707.7656	116315.1875	154246.7969	184405.375	111635.3125	148794.9844	152135.8594	96994.67188	135783.7969	176803.3438	115602.9609	149551.5625	219349.9219	203793.375	217199.9844	207964.8281	136908.9375	178619.7344	163336.375	143672.6094	184256.9688	182030.7813	204725.9219	153695.8906	173626.9688	129383.3047	157860.2188	190540.2656	128028.5078	137626.4375	147327.875	147247.8438	137250.7969	134951.4219	108951.6797	165614.0625	184006.9531	118983.1328	204378.1719	184484.25	101632.6875	124850.5938	171061.2813	111380.7578	168419.2031	159381.5	111299.8203	109280.4219	179027	135397.2031	123105.8047	207790.5938	132511.5313	117764.2734	160937.5313	127574.0781	152123.7031	162258.2656	145552.5625	136116.625	172662.6719	116216.75	159087.7188	182452.4688	126522.5547	188633.4531	189117.3125	184787.8438	194360.2031	170629.5156	145245.625	134875.4063	205994.0625
Citrate	63065.69922	13250.57715	28173.72461	43361.67188	12778.14355	27278.25586	45747.02344	8812.243164	16898.36914	37007.89063	10629.02539	12643.19043	238027.0625	189498.2188	50534.91406	232553.1406	194347	33269.68359	482750.9063	286064.4375	36478.37109	205747.2344	261414.1094	17595.51172	52737.19922	11851.08594	47617.8125	48973.94531	13735.69141	25381.29102	40166.82813	14329.62109	17123.41211	37592.95703	15096.86426	16375.70508	327051.6875	375724.6875	29902.60938	427261.4688	391976.9063	38763.17969	203889.4844	213973.7344	21012.74414	218585	300089.875	16720.05469	66804.03906	16848.625	29564.99219	34958.46094	16392.53906	23973.07617	43457.99609	13422.76172	9914.356445	34810.85938	17010.44531	11915.32422	414802.125	287665.0313	44574.25391	189570.7031	306820.125	37307.625	158890.8125	190957.2969	30867.04883	192104.2969	180308.0625	20375.92578	75927.25	13447.79297	41531.83594	33045.32031	16779.64258	29538.82422	32396.28516	9852.959961	16572.22852	27650.89453	15849.30566	13411.80664	419766.6563	194968.0469	37208.48047	238311.9844	199478.5625	23827.61914	202025.8281	187315.375	20377.43359	181568.7031	200800.6406	12812.38965
CMP	96353.16406	98991.11719	72836.47656	279279	199426.1719	184139.7969	421203.0625	235831.8281	215198.125	383904.2188	281961	185383.0938	33287.57031	39749.84766	0	50658.92578	43278.62891	4788.360352	37758.65234	36694.28906	9710.813477	49889.42969	38270.66797	0	89359.83594	102309.1641	67804.04688	131933.75	142856.8438	102295.5313	152353.4219	135536.3906	131505.9219	190424.3906	159956.5938	122480.7188	40006.625	40761.07031	3592.473389	39984.29297	42972.22266	3451.88208	43007.5	35703.21875	0	45928.57422	43159.10938	3726.401123	110107.7422	113736.2734	73128.11719	147748.3906	174070.75	132537.8594	291705.2188	262445.0313	205543.2969	360362.9375	277471.625	205210.5469	35938.53125	40210.98828	3964.472412	29836.04492	43913.61328	3732.516113	38222.01563	44119.85938	0	35465.16016	53416.94141	0	101097.8516	97634.89063	75243.17969	164742.7344	160817.4531	137334.4531	318578.7813	200778.8594	178218.8906	277264.9688	263404.5313	239028.2031	45861	42676.26563	0	51120.02344	42019.24219	0	36157.38672	45274.25	3891.709229	46400.56641	35788.17578	3441.823486
Convicine	59398.42969	66587.67969	103293.5938	75446.92969	62336.22656	110144.2188	99457.96875	56598.62891	123324.4844	74546.17969	67208.30469	100737.4766	85620.14844	115651.3828	191144.9063	123857.1875	174759.125	232570.0625	178601.3438	159808.6563	270835.5313	139207.4688	158259.9063	153758.5469	69537.25781	43739.5625	115587.7344	79826.21875	47935.38672	115892.625	73227.16406	66427.17969	156327.25	63371.13281	59530.72266	100629.7422	131945.4844	129802.1016	152611.7656	159836.9375	194056.6719	201792.6875	125414.7891	149185.3281	177886.375	169861.7188	233388.9844	191174.9531	68461.42188	67682.25	98473.00781	57797.19141	71121.72656	128667.1406	82724.45313	89478.29688	117645.8281	67852.28125	68823.25781	100956.4609	113626.1875	142852.2656	261208.4063	120803.5156	173294.7656	215696.875	115681.8047	163824.8438	206080.0469	114090.4375	144365.3125	159303.1719	110241.4297	62276.85156	115859.8672	62502.21094	58824.33203	134798.2344	75652.46875	64157.89063	143672.75	75808.375	73785.72656	127418.7344	143762.0625	108279.8828	134894.8281	137623.7188	142384.9063	176981.7813	158425.5938	172528.9063	171897.7344	152685.375	177410.6719	218927.3281
Creatinine	41244.54688	29596.73242	188406.7656	34899.49219	30980.36914	85307.85156	28617.17773	49095.25781	81617.67188	44894.875	13986.90332	47921.91797	94322.39063	119803.1172	115244.1953	61497.34375	59907.67969	127014.3516	44679.99609	80119	75067.91406	58675.75781	68593.34375	65780.17969	26906.25195	13769.97656	199417.5156	29239.46484	25630.64453	68101.60156	26253.43164	31865.7793	51674.77344	47920.91406	44654.55078	107666.5156	103193.7344	116847.4688	166975.7344	46036.37109	50355.51172	72363.28125	77704.69531	71414.85156	85127.72656	88237.29688	74421.89844	74696.64844	34696.59375	30619.33984	349986.2813	22851.86328	28618.86523	69270.85156	43945.60156	25379.03516	50752.92578	33413.40234	37947.83984	45810.69141	172655.3281	106388.8594	256847.0469	34830.92969	82142.46875	57598.96875	51281.88672	123310.2031	51955.30078	49982.77344	39703.91797	69317.46094	24597.58789	34115.63672	250421.8594	31962.13672	25300.15625	88449.16406	26142.01367	25068.59961	59357.57813	51540.38281	24026.83789	118449.3438	92389.57813	85720.5	157235.5781	70860.27344	87472.42969	55354.29688	65915.24219	66751.625	66566.67969	44131.30078	93496.39063	72281.57813
Cumene	27606.45703	144318.2344	0	33638.76172	95527.41406	181191.4219	65119.73438	0	71362.07031	60361.79688	0	71205.11719	89913.85156	0	60331.04688	22097.26563	99529.14844	211316.2188	0	119557.1484	154421.3125	72712.32813	0	198350.7344	80390.99219	0	192981.2656	25825.00781	0	154483.7344	124351.6016	54859.78906	141847.4531	100729.7656	68387.73438	37656.875	81133.10938	62102.30078	199064.6094	0	57724.95703	205404.0938	73065.74219	98690.20313	83647.07813	137587.0156	66850.38281	86642.99219	115623.5	0	86679.375	22202.86523	81652.95313	74562.74219	86527.82813	0	49549.32813	0	83210.28906	29333.1543	80893.72656	34551.09766	277270.9375	0	204965.5	138048.125	40228.625	110653.6484	134950.1563	85264.1875	203154.5	87093.46875	32506.95117	176966.8594	101805.3281	25688.95117	107562.1406	151226.7344	23744.91016	40325.75	66673.07031	49285.05859	70709.71875	76729.71094	44573.58594	84600.4375	24418.96289	22110.22852	112657.2188	137361.1875	41252.63281	0	163419.1875	109276.6406	0	62795.44141
Cyclic ADP-ribose	219456.4375	231746.2656	351027.375	346224.875	219978.0625	226708.0781	265114.2188	299314.875	251008.875	244710.5781	340458	262297.625	79528.83594	151717.3125	142098.5156	91497.41406	116899.9219	137447.4219	92989.25	126649.8672	91382.50781	119692.9375	145983.5938	117475.1016	205083.1719	310074.75	205506.2813	258297.0469	293638.5	246531.5938	252463.5	351134.0625	279247.2813	366464.4063	326830.1563	242095.75	124527.7031	121366.7578	128988.9922	113026.4609	98370.48438	113808.4844	115175.6016	117214.4609	131827	141352.7031	163223.3438	107889.6797	295899.5	239217.4844	260409.7813	237711.3125	282383.3125	172241.9375	275531.25	209990.75	217611.6875	332472.8125	239529.5156	250520.9375	103536.0469	108983.125	178087.1719	130698.4844	237684.1719	151129.4844	93787.73438	103607.5469	90123.51563	82272.88281	108640.3125	77619.57031	162366.0625	224557.3438	221602.8281	308757.1875	386330.5313	236227.0469	209682.3594	268057.7813	263219.5938	264280.8438	536767.375	282953.6563	87220.89063	131500	154423.2344	124838.1484	118593.125	116336.0938	127702.875	96248.89844	118688.9063	114897.4609	162435.8438	119041.9531
Cys-Met-Cys-Tyr	214298.3125	179217.1875	1273192.125	319763.5313	157916.5	335244.0313	206481.1094	212681.7188	691741.0625	205693.3438	156636.9531	1533153.875	120929.0313	217195.0313	1398859.75	185894.7188	283656.75	1176794.75	380411.0313	183008.7969	193324.0156	184168.7344	115405.5781	317882.9688	143162.5313	323656.2813	303032.375	221816.0156	159547.5469	274968.8125	108110.2031	100269.625	552472.3125	185482.2344	203187.9219	831738.4375	206761	187864.6875	318650.4063	201176.6719	137753.625	822316.875	289912.9375	241528.5156	783553.125	236123.3906	360986.25	920858.375	592587.5	242342.75	488058.7188	443417.1875	72067.73438	368146.3438	250869.375	236825.5781	1226685.875	1040091.25	192508.8594	1397962.125	217287.5469	1731870.375	7558566.5	148814.375	99574.55469	335831.1875	141421.0313	181138.5156	308676.25	114688.5625	166455.3438	412579.25	300525.4063	544309.0625	299097.3438	340349.9063	235645.7969	729500.875	229190.7188	163041.8438	125982.5	175085.0156	224499.7813	250713.2813	262232.375	154163.0781	553774	247484.5781	200354.2969	461241.7813	455753	230036.9219	670670.125	193468.0781	245251.9844	484040.0313
Cytidine	39012.72266	60376.44531	74413.04688	71107.91406	64079.19531	75754.57813	61938.65625	73264.01563	83301.5	49791.43359	64541.07813	68054.35938	58077.84766	65756.91406	53236.48438	82943.51563	98375.41406	58704.88281	74826.44531	139785	93630.35156	80493.92969	156126.9688	79994.375	55705.88672	46055.57031	72429.92188	58687.26563	49645.69922	78482.42969	50072.54688	82309.14063	78351.19531	51922.09766	66518.55469	95475.78125	55903.08594	74283.75781	48060.05078	80673.24219	96844.1875	77034.10156	89553.89844	88615.61719	76032.95313	76914.82031	118267.7188	111862.5938	48683.35938	71830.11719	64767.96875	44542.24219	48896.23438	81045.51563	45900.1875	67328.73438	80160.67969	55848.32031	48530.49219	79789.17188	57753.75	88139.86719	89099.98438	62526.17969	82634.21094	71907.92188	73487.39063	86546.71094	88461.5	94246.16406	141297.125	89086.85156	54531.96094	59812.67188	57670.05859	50351.09766	59769.83594	74518.67969	57708.15625	75201.4375	69937.97656	52460.09766	74595.6875	80639.80469	55564.38281	75865.71094	53664.92969	78387.25	100988.8594	53138.86719	123771.8203	116823.3984	59870.30469	83619.50781	108415.8359	95176.23438
D-4'-Phosphopantothenate	16880.98828	0	0	23162.83203	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27616.6875	0	21566.07422	53603.25781	18378.93555	41147.50781	58621.91406	56109.01563	53328.55859	101732.4922	55959.21875	58824.19922	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25335.4082	16860.16406	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19265.83789	0	16292.90918	32013.75586	13897.49512	0	24325.72852	0	0	23500.41016	0	0	0	0	0	0	0	0	0	0	0	0	0	0
dCMP	117422.5938	104560.0391	47670.80078	142388.2813	150222.0313	68119.45313	114105.625	88646.24219	50458.90234	119728.5469	103698.5703	58349.58203	127224.0547	143928.25	58375.88281	154791.4688	151755.5938	61179.41797	124633.5781	170104.0938	76418.64844	159157.8281	141553.2813	56890.05469	84543.14063	105669.8281	54118.99219	135328.1719	99474.48438	58856.19141	141372.7969	109032.5469	57518.24219	122963.4609	111618.0156	63755.88281	140688.5469	138360.1094	66620.70313	155615.875	144208.9219	57071.57813	171714.0313	152552.8281	72122.24219	149852.6875	164586.0313	53242.24219	137475.1406	117020.6016	48874.59375	102732.4297	113847.2813	51269.15625	101966.4922	112646.7969	49114.14844	145306.5938	94737.25	58242.83594	149468.5469	150331.7188	86787.58594	143641.6719	156974.8438	68676.79688	141261.5313	148550	58917.8125	144561.875	130974.9766	58809.48438	124589.1094	96471.82813	51658.66406	124403.3125	111242.3906	52759.69922	128745.2422	91414.97656	57050.10156	116635.7813	99421.84375	50706.11328	135534.8594	173806.2813	70731.94531	146066.2031	149132.5313	59870.17969	150358.8594	144496.4844	51697.77734	148627.4844	137258.7344	59691.63281
decanamide	246807.5781	306275.4688	242374.8438	185142.5156	269056.5938	344727.0625	189093.7344	313823.125	262861.3438	346862.125	220722.2969	297321.125	192481.9375	176467.6406	265783.5625	166656.2656	175693.6406	325411.8125	106776.375	264015.3125	390607.9688	193830.1875	245722.2969	206292.4063	189301.8281	217119.1094	273104.6563	265604.0313	200844.8125	161140.0781	124928.7891	285690.3438	248486.9688	251945.5469	266519.5938	472745.3438	248518.4844	238944.5938	330147.375	235786.4688	324063.0938	209366.9375	161395.75	270900.1563	258092.25	162140.7188	202709.25	303019.2188	180007.125	339705.875	388176.0625	131228.4688	227387.0469	377378.75	228221.9844	234098.9219	290499.0625	152948.0781	168954.375	365460.5625	159921.1563	181933.7969	415504.8125	188295.2031	218561.1719	239757.9688	109822.4063	70265.97656	240103.625	154329.0625	344302.2188	257513.2031	321971.8125	333694.6563	234057.2344	191944.1563	290334.8125	276937.4063	165840.2813	278622.8438	359198.7813	360147.9375	175908.8906	342861.0625	116519.9453	244185.1094	354551.9063	349308.9063	271344.75	307728.0313	207356.3906	301731.0313	425072.5625	248598.625	348274.5	223045.125
Decanoyl-CoA	142664.6406	164051.7188	122210.3281	101451.1016	84088.14063	131172.4219	246233.2969	34654.57813	87293.53125	100061.7109	91064.75781	173423.2813	413974.9375	233873.3906	347254.5938	408242.75	303130.9688	302834.7813	440493.4375	511845.6563	328009.1563	487535.4688	527298.3125	263537.4688	197333.2813	78147.125	253840.8281	191421.1563	87263.42969	176596.8125	150477.9063	126696.3438	196236.4375	216141.875	213121.7188	185782.8594	534979.125	502023.6875	360153	606940.4375	597663	352893.9063	482480.5	410749.0938	263154.9375	537659.8125	598396.5625	316664.875	122564.6094	182658.3594	124416.9219	115024.4453	61540.25391	130925.7188	105711.5547	124686.5625	116889.0781	156580.8594	159238.75	98260.70313	431397.2813	469445.75	332580.0313	449138.6875	360233.5938	276196.4063	433530.8438	582378.3125	331132.9063	579639.875	594028.6875	219742.4375	191606.75	89425.14063	201515.875	201411.0938	88787.83594	243323.2969	168295.9688	101132.4375	119812.6641	175604.5469	161260.6406	121691.2422	631390.5625	331899.5938	277522.5313	345725.125	316955.9375	344350.4688	450122.7813	551526.1875	237075.0469	536471.9375	571026	299360.5938
Dehydrophytosphingosine	33980.03125	76222.39844	105481.7813	65720.53125	46678.89453	84615.10938	90565.4375	93058.75	87651.49219	90478.82813	49669.47656	69594.5	42996.01953	65098.14063	73575.89844	74388.79688	93912.60156	90950.50781	61358.09766	68572.35156	50071.60156	47922.97266	94711.21875	78403.3125	30911.9082	80304.8125	134278.1875	50453.66797	89642.5625	59154.375	34937.89844	51708.08594	73875.89063	65959.79688	48244.16016	130687.7422	55872.07031	70024.25781	59969.05859	60133.03516	62359.30078	77687.45313	83465.57031	89997.55469	72332.72656	88730.17969	78631.77344	76730.44531	63359.11719	51008.96484	52170.44922	93354.55469	85660.98438	53041.62109	58592.8125	140755.4375	83741.53125	54516.89453	112218.1875	58158.97656	69850.17188	61709.38672	53624.6875	38296.55469	97685.42188	67825.96875	53685.80859	78378.57813	62719.60938	57667.49219	66212.00781	44027.68359	89654.29688	61631.39453	83301.59375	38923.0625	59999.375	51805.77344	51773.33203	122444.7891	51397.125	59303.44922	63573.34766	94400.64844	61813.61719	74311.03125	48848.46094	54492.82813	44479.64453	75814.48438	73080.66406	93481.57031	107754.2969	55072.94531	81415.92969	106952.6094
Deoxycytosine	416973.5	417896.4688	853897.1875	570945.625	677705	652261.125	350067.1875	584608.625	898237.5625	211001.2188	154372.9063	243609.6094	307949.2188	1062348	808682.3125	399744.6563	519895.375	1020816.438	371422.7188	430880.9375	369684.2813	385030.5313	556154.9375	1218197.25	194915.5781	709137.875	872409.3125	527723	735770.25	562761.5	341477.2188	721999.75	1139024.375	389471.4688	706391.6875	736098.3125	329886.6875	895298.375	827505.125	407589.7188	387613.3438	1229247.625	605096.375	1391897.75	639863.125	222741.6094	755209.125	1129932.625	410073.0938	397606.4063	640487.25	556767	411913.3125	767761.1875	639882.6875	759002.375	606633.6875	677495.375	638526.0625	618748.5	336007.4375	735835.8125	479322.1875	669362.75	506916.625	828430.375	259872	562739.5	698836.8125	482905.875	1368261.625	512064.1875	447682.6875	662804.125	905717.375	424863.8438	676512	730858.25	283156.5313	1137324.25	678732	328561.2813	1361720.375	940112.8125	314781.25	497662.875	738993.0625	617619.8125	416343.3438	452238.375	342160	510661.125	659600.6875	687825.3125	591373.5	872874.375
D-Fructose 1,6-bisphosphate	25002.90625	30085.25977	31657.96289	29807.94141	14907.0957	37596.48438	28214.54297	17251.58984	31882.36328	22307.67188	16676.96289	26952.70117	115243.2188	158851.8281	164889.8125	78262.03125	116906.4375	92821.15625	231178.5938	143346.375	182781.625	115983.8594	193954.6719	102267.6953	23830.29102	15223.49512	24376.20313	25906.31055	27156.46289	40246.60156	21496.20703	29596.70898	33966.74609	23740.71875	21386.25781	31196.16211	122427.5234	165904.8438	96029.64063	180241.6563	211509.3125	185375.8281	77742.25781	145741.6563	77910.23438	212547.5156	355879.375	185819.75	14356.60352	27823.24609	29391.7207	21195.61914	16667.39648	26516.80078	33094.16016	22488.95117	21951.38086	22433.25195	15466.74316	29475.87109	130064.3984	165227.7344	160193.5469	126758.4922	172417.7344	175298.7031	142711.3906	138314.25	249112.125	147290.0156	214490.6719	183652.2969	30494.85742	29558.55859	33609.25	21070.36133	26290.40625	30008.70508	30087.50977	26148.10156	35768.65234	23479.06641	21592.80859	24665.56055	124357.0938	102122.8594	68475.82031	145723.7656	166826.25	151742.4063	148718.0781	195811.6094	220629.4531	186186.2031	246024.9063	214549.4688
DG(34:1)	104274.7734	77180.07813	107987	167273.9063	44660.13281	82746.85156	94317.96094	74732.58594	84864.89844	152399.625	67149.46094	108983.0156	0	0	0	0	0	0	0	0	0	0	0	0	83032.75781	113152.8906	204358.4688	144493.8438	105259.4922	140296.3281	272368.0625	230077.7656	243922.3438	627366.875	267346.6875	519909.1563	0	0	0	0	0	0	0	0	0	0	0	0	124903.4453	87938.84375	106631.9531	123961.5859	58675.66797	79347.3125	213237.375	105082.0391	101475.4219	89548.9375	96969.86719	103217.8359	0	0	0	0	0	0	0	0	0	0	0	0	176631.7969	62614.06641	134243.0156	158164.0469	97648.90625	167634.5938	166132.2188	107905.0391	110408.7578	132228.6875	122767.9453	117331.4063	0	0	0	0	0	0	0	0	0	0	0	0
DG(36:1)	122024.5	110006.8047	74097.61719	100463.9219	85633.85938	119164.375	129119.2578	54293.52734	157915.4531	74968.97656	52700.125	175423.7969	65200.94922	157124.6094	140888.7969	115322.6563	100718.8203	114845.6563	291209.1875	154702.1094	204869.9063	0	62991.14453	146941.9688	83294.54688	91924.60156	100939.0547	135424.7969	98006.67188	156777.6875	205952.6563	126342.5859	173201.7969	280074.0625	200516.9688	186347.2656	130853.0469	123899.6953	76789.72656	105417.8281	169399.1719	99926.49219	45527.67188	160380.1406	137838.8594	101777.2578	188821.5	78515.02344	152220.25	103321.8594	89349.09375	91181.4375	69059.54688	103319.25	101319.1016	117199.2188	80547.14844	75493.35938	73280.55469	63868.38672	70267.55469	140504.7813	230888.8594	56144.60156	36178.27734	88040.125	123212.8281	38298.82422	112994.5234	74438.28125	217439.4844	134176.625	132784.0156	155441.9688	59964.08203	97442.45313	105018.1641	89298.04688	131782.0469	112120.4766	68167.375	119065.6719	169631.9844	83231.03906	159659.2813	192177.9219	33123.06641	64529.52344	0	62156.375	51264.55469	159507.3125	129854.7422	123938.6406	105939.7891	113085.6484
DG(36:2)	120740.7969	72250.96875	83983.97656	122795.2734	113555.1328	89919.11719	131764.8594	82945.72656	76201.53906	87042.25781	70707.875	80082.85156	0	0	0	0	0	0	0	0	0	0	0	0	88608.5	73381.99219	83585.97656	148442.4219	119759.7031	125683.6797	217328.8594	134251.7031	192552.7969	468148.7813	251288.2031	304365.8125	0	0	0	0	0	0	0	0	0	0	0	0	163145.4063	84146.98438	92825.40625	112951.1797	75202.125	102122.125	173037.4375	85009.28906	95892.22656	181955.0781	92332.16406	98283.70313	0	0	0	0	0	0	0	0	0	0	0	0	109278.0781	105287.9688	92609.53125	136062.9531	96088.89844	111845.1641	167400.9219	94659.92188	110851.5703	224290.4531	126575.8828	112985.6953	0	0	0	0	0	0	0	0	0	0	0	0
D-Glucono-1,5-lactone	224439.8125	175813.2031	737404.0625	254717.4531	241745.8125	441829.0938	312382.7188	209357.1875	727897.6875	276438.3438	162044.4375	377896.7188	851642	340007.3125	234224	453161.25	337145.3438	564788.6875	292890.6875	607291.625	715667.9375	407636.5	516617.8438	414893.375	247813.75	265365.9375	313048.7188	237442.7344	170889.2969	399971.4063	190746.7188	176320.1875	85677.88281	355378.6875	262437.625	413919.2813	424900.4375	444771.3125	216817.9844	443613.375	389896.25	920134.0625	683704.25	430219.4375	493948.4375	454635.125	421094.25	492920.8438	213973.6875	172666.4219	798669.5	316251.0313	250634.3281	300789.8125	255114.7344	159319.4688	457349	296483.9375	325414.5313	506051.9688	193011.8906	291796.8125	749799	339226.5625	719961.1875	581462.375	699665.25	332993.0313	605205.75	307502.25	976920.9375	535127.5	220218.375	253393.5156	384785.6875	281069.3125	207658.3281	377280.5625	210548.875	232267.9688	432096.8438	248394.7656	133944.5625	661102.125	279957.375	342135.7813	530502.8125	524233.375	515838.9688	500791.5313	354260.5313	808101.875	476675.1563	378387.1875	625262.6875	508940.3438
D-Glucosamine	69781.70313	66857.5	276913.75	70806.32813	59495.65625	317894.375	75215.76563	55459.08203	320330.6875	54773.69141	62132.19531	357322.25	75246.89063	99794.08594	371129.2188	105246.2656	92068.92969	375635.4063	86351.58594	140418	418702.9688	128858.1797	112623.6016	373189.375	65600.01563	55435.01563	248707.7969	78577.83594	55562.82422	271778.4375	77446.57031	66168.78125	344069.2813	106905.75	56370.90234	336779.5	106076.0078	105705.2031	371797.625	126716.7031	148391.5469	395813.5625	125659.5234	127498.8984	398592.2813	110085.9609	121442.4297	352548.8125	72577.10938	71733.28906	286157.5625	59010.51172	60574.57813	409428.4375	100686.2813	57437.44141	339550.75	65623.32813	75575.24219	317170.8125	80203.30469	126966.9609	650580	77175.30469	115207.75	410782.5625	95451.46094	165982.1094	301822.2188	72090.89063	125695.5703	353592.8438	64139.99609	65827.08594	299030.8125	80757.95313	46391.73047	281524.625	82694.78906	58646.90234	299920.625	60889.98047	61644.62891	329733.4375	106598.7578	91487.69531	339023.625	107808.1484	105555.5234	341183.4375	105280.8594	107760.1641	399198.7188	110413.7109	119166.7969	384488
D-Glucosamine 6-phosphate	101047.9688	81877.14063	71722.53125	96452.22656	76659.97656	78121.46094	113649.1641	77377.75	74357.85938	90684.00781	91410.64844	68048.53906	135042.8125	225144.7031	221256.7969	267685.625	322599.875	277035.0313	334235.3438	397099.3125	393893.0625	426790.5313	377932.0313	313261.1563	110132.0156	76770.3125	75163.47656	86226.28125	80862.58594	81015.65625	97587.25	84199.97656	79140.78125	90822.50781	93445.60156	75181.75	208998	201800.3281	221714.8594	264094.4688	330565.7813	305641.2813	386490.25	393751	273086.6875	381441.9688	540189.625	366071.4063	92534.35938	70394.57813	74889.8125	94093.47656	85356.17188	93779.07813	89014.85156	95058.75781	70840.5625	101825.0703	82151.60156	73232.28906	174432.4688	199820.7969	289656.4063	204277.6719	318052.3125	255182.4219	320549.6875	369411.1875	323885.3438	390674	413822.0625	404858.4375	95752.49219	85568.78125	69162.39063	94781.71094	89435.42188	78587.46094	95763.07031	92695.28906	79536.94531	85840.53906	104170.4766	78014.77344	191254.5469	183780.9688	197003.2813	270619.6563	281217.625	265965.5625	314137.5	394633.4375	307833.7188	398371.5	411067.125	344549.5
D-Glucose 6-phosphate	415951.5	748871.5625	244098.0781	627550.875	596130.3125	305150.0313	852323.375	584031.6875	337853.5625	733455.125	519301.5313	373199.8125	183174.8594	275326.3125	156850.0781	775357.5625	216372.125	165205.9844	606970.5	953900.75	978496.0625	227866.6563	236927.5938	181621.125	440046.9063	829948.25	339523.8125	578673.1875	598313.4375	303060.4063	420765.5313	577462.9375	402739.4375	980671.3125	508374.5625	462811.2813	601937.125	653108.5625	658859.8125	241385.6719	217332.4063	169927.9375	1083403.125	976981.625	991350	1045599.438	1021648.25	1203975.125	573090.0625	833094	335671.0313	475888.4063	625013.5625	240776.9063	769786.3125	661254.6875	308701.7813	624460.0625	568678.5	376490.625	399208.75	587636.5	556674.125	116885.5078	221339	179937.6094	162379.625	180991.0781	196289.2656	136650.3125	295434.6875	143580.6094	555982.5625	636428.25	274318.3125	614585.75	681207.75	279024.2813	717191.75	576798.375	334291.9688	741726.5625	641747.5625	456847.9063	445706.6563	826807.625	652108	171222.8906	175521.0313	163458.9844	211805.4531	265174.5313	205549.75	214652.25	283465.0313	160923.125
Dibenzo[1,4]dioxin-2,3-dione	84983.04688	85882.02344	56586.34766	78072.61719	66648.71094	54026.84766	94661.5	74080.78125	77739.88281	80791.09375	39669.13281	74661.33594	27564.02344	36495.55078	29746.27734	13981.1084	9963.947266	12905.26074	13877.49609	11929.32324	18382.73633	13750.15039	10883.06836	19501.84961	51489.31641	81790	63477.65234	83715.45313	52641.58203	85684.60156	100088.3047	60865.45313	94540.49219	155884.125	66946.90625	143604.5469	18919.05078	19931.16992	28559.26367	10491.33984	5800.093262	16506.93164	10101.02637	15264.68945	20087.24805	14078.21289	12860.02344	15457.66895	71033.34375	59458.35938	61236.03125	53652.35156	54240.84375	55959.60547	83504.96094	57839.3125	89539.33594	77298.26563	50663.02344	93835.42188	20163.60156	30426.84375	38366.59375	9774.166992	12554.69531	16288.87207	12657.84668	13347.51465	16199.4248	12428.49414	12856.02832	18483.28125	67513.60156	77962.84375	74027.34375	59753.53906	53842.09766	61308.66016	105047.7422	52542.6875	104098.0156	102283.6094	70633.82031	137110.625	28842.45898	25017.39844	21133.03906	12653.01855	5825.625488	16439.97266	10968.23438	12276.00195	18135.82813	17753.03516	10203.2832	16577.30664
dibenzothiophene-5-oxide	62293.86328	41176.44922	102806.2344	87192.01563	60173.29688	121399.5703	45900.75	53212.97266	50297.25	60324.16016	66220.78125	104817.3438	85468.32031	110220.1328	120800.9531	148145.1875	122529.4375	172015.8438	77409.95313	186205.1406	137898.5313	124555.0391	122190.4688	99907.90625	63705.78906	54519.74219	137641.8594	72254.6875	54890.71484	98907.10156	56754.58203	43919.42578	134864.2969	81447.21094	61358.39063	102195.1875	114049.5859	139535.25	104856.3516	126483.5	115849.3984	136411	186336.9375	103197.5	154222.4375	91716.5	126516.1953	99340.07031	79064.51563	60093.76563	98688.14063	61936.85938	57296.77734	183046.5313	84852.08594	58886.69141	112243.3203	114060.4531	51436.28125	93695.32813	108715.9922	148886.3906	171615.75	94295.73438	175070.5313	127266.3203	71534.45313	141316.7656	106439.5469	68217.72656	128151.8359	107177.4063	67761.13281	58902.41406	93264.26563	68512.89844	72290.16406	131809.4688	78204.53906	59483.57813	97935.10156	58441.28906	52324.81641	186327.1719	98997.75781	149279.6094	131500.1719	86942.14063	130221.6719	117594.5156	95033.46875	118077.4922	120092.9453	83836.78125	100909.5313	95810.40625
Dihydrochelirubine	70232.16406	86752.72656	119228.0703	79402.67188	77921.80469	107128.3125	75842.96094	73306.82031	123002.7422	57058.17578	70218.21875	142396.0938	241321.5	316175.5625	273847.8438	360606.75	500719.7813	359642.6563	460146.0938	637786.875	550433.375	538574.4375	700180.5	548414.625	64030.82813	63219.82422	78020.03125	57657.03906	73333.21875	124822.5156	75461.97656	83616.625	126015.4375	81297.47656	104772.7188	108236.25	239638.4531	313803.9375	202015.3125	415059.5313	485815.0938	327836.6875	474619.25	624545.0625	464760	557529.8125	806799.9375	584192.8125	63280.14844	69318.63281	117387.3984	53816.80859	71487.88281	111254.4141	61001.25391	83459.95313	79668.72656	89021.42188	81435.51563	106044.9219	193954	350213.5	478167.2813	299415.0313	484848.875	371007.8125	391252.9375	618351.0625	409412.5938	525214.625	836652.75	605072.5	60370.11719	76976.02344	123213.5938	70163.9375	102441.5313	98375.23438	68629.92969	89239.29688	106715.5078	55384.03125	128998.2813	106435.0313	203328.0469	360033.5313	212122.6875	359922.625	487849.5625	302800.8125	402602.9063	628387.6875	452511.3125	581903.0625	759500.0625	619860.3125
Docosa-4-7-10-13-16-pentaenoylcarnitine	0	0	68889.84375	0	0	53455.47656	0	0	67753.28906	0	0	79621.89063	77632.75781	94402.42188	108186.6328	47583.98828	82483.48438	97902.03906	55263.32813	90605.38281	80258.38281	55057.69531	72454.375	65570.02344	12193.83008	0	46778.48438	0	0	43996.03125	0	0	41547.83203	0	0	26780.75391	89753.15625	117570.0313	96170.11719	74223.75	70167.42969	71200.52344	103184.6797	89491.14063	88032.23438	67864.42969	83843.19531	65210.64453	16499.82422	0	39867.75391	0	0	32845.4375	0	0	42120.89844	0	0	47857.42578	55889.17969	96577.80469	152810.2813	41278.32031	68013.78125	72181.60156	77047.375	95874.53125	69168.3125	64045.66016	77310.97656	74922.03125	0	0	54734.19531	0	0	87988.79688	0	0	55712.53125	0	0	58327.04297	78464.48438	117282.6406	100128	78674.125	64474.80469	93241.59375	94637.9375	75757.91406	85998.20313	47165.10938	74180.13281	92179.125
Dodecanamide	293559.9688	276128.6563	268289.875	210849.4844	293285.0625	303076.125	203149.1094	339786.6563	302824.7813	252255.8438	179202.1719	286306.125	323007.5625	293484.5938	400028.2188	200605.2188	241032.7969	382420.9688	168540.5156	262465.0625	311625.75	180314.8906	206194.8281	288899.5938	137985.4219	336571.6563	449875.0313	311009.2188	233071.6094	184302.8906	211051.7656	265404.8438	525236.6875	230927.625	278509.2813	541703.5625	255474.7969	294593.375	364379.4688	212580.9219	375443.5313	274176.7188	262309.3438	289481.8125	211390.9219	278018.7188	230389.7969	329982.1875	249093.6094	366215.75	403647.4688	152092.2031	199067.2031	366768.375	325739.2188	358298.4688	364355.3125	191027.6563	219711.3906	369976.1563	221638.2188	140376.375	376167.4688	232453.6719	184732.2344	307104.5625	137028.25	389619.0938	399980.9688	166024.3906	221620.0938	271645.125	245513.3438	324291.2813	283449.8125	217227.3594	335030.7813	275521.375	253151.6719	337354.4063	420919.625	342041.0625	197513.3906	379176.0313	156374.3281	342346.8125	453755.0625	336260.2813	292185.2813	304901.1563	275504.0625	468179.6563	378587.9688	329677.7813	251223.0938	260111.5781
D-Sedoheptulose 7-phosphate	71276.02344	81734.72656	76339.88281	68816.03906	61059.39453	75326.00781	69476.96094	62091.89844	83255.61719	57300.49609	46182.65234	88383.38281	85926.34375	101145.1797	203169.0469	145121.4844	180883.7344	254483.5938	213130.0625	333160.7813	341318.5	334283.4375	329609.125	379193.2188	58783.17578	69491.69531	75120.66406	70077.40625	58875.05859	96456.58594	54199.24219	66689.19531	109958.2813	106855.3047	69400.29688	118713.9922	93308.84375	121360.4609	156231.5313	159697.1094	198246.1719	236714.6875	203626.4688	222822.2813	302233.5	361554.9688	519659.0313	396968.2813	55026.00391	76452.58594	89833.59375	47476.1875	60966.33594	71294.45313	64914.95703	63563.67969	92380.57813	70316.0625	65452.48047	94935.29688	71725.07031	130344.8203	306089.0938	115337.8672	261350.4063	277161.0625	189773.2969	343405.875	330676.0625	270691.5	340992.1875	416823.5313	43269.74219	88564.45313	92450.01563	48540.00391	69668.74219	77326.375	76033.29688	58330.72656	90730.76563	71493.47656	65370.51172	123523.7578	87055.82031	115502.6641	140060.6563	144404.1406	175204.6406	233972.9844	240253.2969	294688.6563	353537.7188	290280.5	384522.7813	424111.375
Ectoine	24156.87109	35476.70313	87008.40625	23618.40039	38524.84375	47518.42188	22734.19922	35731.28516	55752.26953	19164.0918	29922.32617	53658.20313	26901.72852	40722.92188	75036.08594	34867.60156	62047.3125	35796.01172	32002.89844	42036.81641	66499.41406	28118.46484	25880.52539	49938.96094	20390.33203	32555.72461	34151.77734	26404.75195	28678.4043	54287.43359	27964.5	37787.51563	55049.74219	28185.88281	31401.01367	47687.75391	36858.14453	34096.0625	45877.77344	34084.66406	37610.24219	68882.90625	38856.48438	102656.4766	56018.69141	44008.85938	36238.28125	43955.23828	21908.00586	31523.3418	60807.40234	19878.49609	28232.17578	32936.25391	20978.63672	26570.77148	40772.55469	26284.5625	38937.95313	37001.63281	13545.48926	53807.74219	145821.0156	18766.71484	48115.05859	39422.69141	21480.41016	53495.70703	48149.66016	26201.32617	45583.42578	43141.92578	12978.19141	47390.06641	53571.57031	33321.58203	41316.875	44689.42578	28566.60352	27897.73438	47835.73438	19166.8418	22268.74609	49376.54297	17302.8125	44384.74609	63398.78125	49532.24219	70268.78125	40383.27734	62699.12109	48344.05078	45573.82031	39955.99609	60299.32422	37673.26953
Elaeokanine C	38442.59375	65604.17188	47833.60156	40507.14063	112838.0313	197608.6094	30494.31055	111514.9766	53910.80859	41726.63281	104460.3672	173638.0469	31121.35742	70902.57813	115075.1484	54694.22656	108643.6719	54929.71875	59625.57813	104208.9688	157180.3594	123354.6719	130393.4375	197783.5625	27995.72656	74931.35156	86445.22656	66095.28906	95812.53125	119291.8672	38917.92578	182576.25	89516.73438	92596.20313	102004.3125	105977.7031	24576.94727	110007.8828	150352.7656	45238.36719	95478.91406	70125.98438	77118.94531	172949.9375	143450.375	82565.26563	195619.2188	169143.9063	51881.9375	58140.13281	33383.05859	24725.78906	104038.3672	161116.7344	61419.16406	52656.74219	237366.0469	83365.36719	109084.3828	171625.7656	37115.03516	87154.67188	168981.4219	40032.86328	108328.9531	91245.92969	49417.43359	101314.375	130271.1484	57089.05859	122305.5547	225418.7969	27810.0332	72681.27344	45033.78516	68234.67969	131804.9219	167942.0313	69837.72656	127490.3672	92641.42969	71534.14844	97670.23438	131201.0313	25858.18945	123710.8984	60074.84375	68299.82031	103718.4375	53656.375	109492.1953	142473.6875	78317.57813	59752.83984	105925.0938	103115.6406
Epigallocatechin 3,5,-di-O-gallate	161999.3281	175373.375	129265.6406	324541.4688	281540.125	335512.25	577093.3125	316488.375	422975.5	406644.2188	362107.2813	285743.3438	49831.21875	43790.71875	35254.31641	95334.8125	56013.46875	32311.82813	91632.07031	71930.45313	30677.33203	65260.80469	122592.1953	25111.34961	148695.0469	134298.5781	104737.75	178008.3906	143950.375	171054.4375	121590.5859	187136.2188	204811.375	107155.5703	156171.6406	138921.875	74078.8125	66457.75	0	78902.57813	89241.78906	43895.19141	64424.15234	55992.07422	47258.57422	84855.33594	99934.26563	37905.125	144960.3281	132960.9688	120361.2422	257396.5156	250262.7031	253751.1719	355955.875	332012.8438	306782.2188	401851.1875	400911.875	354716.3438	67109.125	71388.30469	35859.83203	57562.53125	69166.03906	25583.92969	53859.58203	76658.78906	37763.19922	77689.05469	80795.44531	38251.47656	242329.1719	186692.3125	115007.1484	258286.7344	174119.0156	240953.7656	397034.375	366379.0625	305862.9375	375315.8125	384307.4375	321252.75	80480.00781	62826.02734	25025.28125	98920.65625	98545.75781	44178.28906	89465.79688	53684.75391	17028.99609	64581.71875	103039.7266	31798.62695
Epsilon-(gamma-Glutamyl)-lysine	31432.12109	29530.625	26980.21094	26689.15234	27107.94727	15316.1377	27900.98438	13314.74902	5921.032715	19319.00195	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23003.15039	20709.60938	16922.2207	51866.78906	33464.80469	28016.33008	89829.09375	33757.4375	42899.76953	113188.9609	50828.33594	49533.55469	0	0	0	0	0	0	0	0	0	0	0	0	39699.32813	15655.19531	27435.13867	30213.26367	21875.27148	19742.54883	35336.62109	14874.70996	20794.01563	55785.87891	6778.394043	10651.5791	0	0	0	0	0	0	0	0	0	0	0	0	34281.14063	24814.69141	19933.85156	49937.86328	26909.94727	27737.23242	49138.08984	21186.73047	21572.37109	52797.42969	27125.72656	13097.84375	0	0	0	0	0	0	0	0	0	0	0	0
epsilon-Caprolactam	78518.71094	77636.71875	118467.0391	65758.46875	72627.05469	100484.4922	70856.21094	60077.41016	100149.6563	58238.77734	45166.04688	117429.8828	95277.07813	105851.4297	82868.72656	31582.83594	91785.92969	102524.6563	74942.60938	53563.90625	105472.5703	112943.8594	90169.44531	77190.34375	51199.77734	42562.01172	47858.51953	75786.13281	77759.53125	61945.58594	34324.75	71201.52344	102257	93222.52344	136928.375	51116.40625	95488.75781	63411.08594	107546.1563	83317.53906	90446.60156	107663.9063	72663.53906	83827.27344	64851.93359	86215.66406	61904.74219	110648.7813	31844.08789	35333.94531	150936.8906	78115.58594	120561.1563	67301.10156	60164.23828	67538.41406	74405.48438	66413.40625	64482.17969	67307.39063	65897.00781	90451.25781	110755.7266	55301.76953	56135.00391	54039.19141	60107.45703	61380.14453	63274.02734	27579.94336	75605.57031	73459.8125	49859.60156	72700.57031	93010.53906	54444.34375	83771.23438	88353.32031	63873.95703	132374.8438	117230.375	44413.08594	83888.67969	117230.4375	73197.61719	63550.25781	60473.32031	77064.66406	92345.07813	89536.375	110609.5234	57836.42969	63531.56641	81541.02344	79461.625	91288.99219
Ethanolamine phosphate	720859.5	604813.5625	368195.5313	999833	661898	480381.2813	1590291.125	845467.625	733376.625	1566512	929012.3125	839768.875	35368.76953	41393.53125	44326.80859	41980.10938	39807.52344	38524.76563	36927.85938	38378.98438	35197.98438	47040.78516	35606.84766	32572.14453	681977.0625	500543.4688	348752.7813	573129.4375	612167.875	407934	885678.625	654325.375	615946.25	1407196.75	831075.6875	831855.5	47602	39886.80469	56296.21094	45194.4375	39792.10156	45055.06641	42181.78125	31172.17188	28281.51758	42303.05078	40085.65234	33908.43359	584579	497219.9063	340875.2188	705399.0625	711608	442437.7188	1650224.5	1197947	926643.5	2278698	1172282.75	1153278.875	46098.85547	45019.14453	67571.78906	38125.45703	32731.83398	49568.71875	34890.40625	39114.48438	27033.25781	29999.23047	43398.79297	27043.0625	708935.3125	502721.125	334045.3438	862367.5625	669276.9375	467252.7813	1741341.375	960961.4375	963401.625	2393410.25	1216217.625	1303260.75	46022.33984	45083.55078	35340.95703	41429.64844	38898.80859	37732.18359	41079.12891	31761.65234	39507.27734	37943.46484	45412.66797	27303.60742
Evoxanthidine	158355.2188	126678.7734	27210.54688	157414.2188	139691.5	20218.73047	206710.8438	205631	0	142510.9219	181546.125	22824.91602	344347.0313	475671.875	47235.80078	309387.0313	220800	50166.57813	184059.8125	172231.0625	16883.41211	205798.9375	210097.75	37444.19922	119289.5156	130664.2188	16631.30664	135007.7969	137288.3906	0	115170	175147.4531	21290.54102	158924.9688	135512.2344	0	268918.7813	188396.9688	37249.69531	373087.2813	287679.875	45254.26953	268887.4688	284794.1875	34374.21094	349193.7813	239699.8438	30112.95508	205346.25	131443.1563	45584.3125	179465.3281	215431.2969	19972.18164	159735.0156	289989.6563	0	184149.4688	182792.5156	18578.54883	177917.9531	404629.625	53051.15625	234535.3281	358559.3438	49971.61328	185056.2813	310030.4688	30798.84961	211409.3281	188201.0781	40697.83594	197194.8438	144864.0313	21213.11328	201387.5781	91536.72656	11965.91602	191400.0625	202280.9375	36618.26172	111038.2969	171524.9375	0	251070.1406	252869.8125	15077.43457	250896.8594	232429.7656	37875.10938	180337.625	211783.9688	22677.7832	257511.2188	312159.25	50878.42188
FA (12:1) dodecenoic acid	97152.67188	162960.8125	153723.2969	120083.9297	100275.5938	137686.1094	130593.6484	152106.0781	173220.6406	93893.28906	96166.94531	158574.75	70480.65625	121512.3047	187941.3906	106439.0391	130152.6328	149442.8438	101340.9453	101102.2266	214477.4688	145772.8125	134773.8906	163315.9219	67795.55469	135458.7813	171775.1875	35666.77344	143757.3438	186590.1406	90179.02344	100040.375	147296.9375	83922.85938	124000.1406	110283.1797	143383.3438	92765.03125	113930.7188	163839.6406	109797.5	135041.0938	108813.3359	131809.6875	141920.6406	124240.8984	104784.6328	153064.4688	97169.85938	102179.2188	145216.5156	85072.71094	167993.9844	120616.7656	88886.53125	133079.0469	116625.0781	107675.6406	97409.58594	124511.3984	66041.25	119072.4766	109600.8047	87387.35938	106285.2656	135604.8125	95561.375	153141.4688	143680.875	106588.1328	138416.4688	124529.4297	124555.5234	104494.1016	150410.9063	78626.17188	106912.3281	131300.6563	90914.82031	136092.0625	169873.7188	96170.67188	144348	157457.3438	91668.19531	122129.1719	150485.3281	115753.4766	122749.625	183490.4375	215465.8281	135323.3281	163850.9219	111068.0781	123199.5	170193.1094
FA (12:2)	86691.88281	120111.3281	86167.69531	75511.24219	94315.25781	96835.02344	66187.41406	55260.96875	81604.09375	81292.72656	102702.4688	49859.01953	40205.29297	83197.6875	108072.1094	49165.08594	94262.30469	80067.38281	79130.16406	44269.89063	45757.64063	65080.45313	106743.0234	63924.49219	27875.5293	79733.71875	81948.76563	52053.23828	71960.07031	70641.76563	59181.00391	87321.23438	83251.25	91548.125	98228.125	70925.21094	80987.83594	54719.85156	102961.6172	82342.82031	82745.63281	101014.9063	83169.04688	86183.61719	69417.00781	99533.22656	149588.9688	84997.5625	123849.4844	72039.35938	59574.88672	93968.97656	72405.3125	50594.98047	54503.60938	66584.51563	77618	146152.4688	66489.5	81604.61719	48248.91406	62854.89063	36980.47266	61429.29688	86084.6875	84480.23438	64996.45703	47157.05469	68787.5	62811.73828	74596.42969	51899.82422	91096.94531	78454.73438	76255.42188	69676.52344	83370.14063	58922.85156	89169.39063	102363.3828	70377.39063	81909.13281	57680.39844	78388.40625	53497.67578	59431.30469	87723.16406	78646.14063	89836.73438	56291.03516	91047.76563	92141.3125	104738.7266	45367.88672	69986.63281	78930.1875
FA (13:2) tridecadienoic acid	110436.6094	229523.3594	266271.5313	493691.2813	1047849.563	2212339	206777.3281	465715.875	137183.2031	877581.9375	254299.3281	348684.0313	316640.75	1116748.375	958248.6875	229396.4063	426160.875	254632.8906	474166.5313	729734.5	988021.875	483188.5	440921.2188	1131126.875	93349.61719	295990.0313	142216.2344	447607.25	404589.3125	192211.6563	145186.2969	439356.5938	328314.0938	374792.5313	218385.0625	316868.9375	121651.1875	193527.6719	106789.9141	424590.5	836259.875	702701.875	710573.25	1121776.625	1645603.625	263308.3438	407591.9375	352286.9375	600595.4375	643451.6875	516244.8438	257846.2188	246321.9688	677683.8125	250891.1563	558178.5625	1185387.25	442525.5313	316847.4688	344846	259108.6719	942892.625	1158337	450013.5313	1005130.438	377815.875	136832.5625	286567.0625	393508	643853.1875	919188.1875	2545351.75	218384.25	536615	339742.0313	460098.2813	965769.875	2011851.5	743890.625	1002978.5	717878.8125	536815.625	341577.5938	555233	611540.3125	1020669.438	360605.0938	212491.4844	417280.4375	159939.7344	455364.4375	827284.9375	215425.5156	435858.3125	440154.4063	422060
FA (14:1)nonanoic acid	143191.7656	141766.3125	136787.1406	127106.4766	136706.9219	143165.6406	187675.5625	174861.4844	173237.7344	125288.1406	131329.5	168846.8438	137826.0313	173095.4844	165943.7969	156716.25	141318.0469	153881	131032.6094	140158.0781	158419.1719	133514.5	155959.5313	147580.2656	130143.1797	130234.9297	172190.125	124364.1797	133798.6094	149707.7188	160345.6719	171603	181495.8125	156705.9688	129367.1172	168302.3281	113900.3203	126092.9063	133910.5938	138640.0469	155466.2031	184297.5	138449.2656	165553.9375	163691.6563	166863.9375	139448.9375	159515.3906	128949.6641	155217.3125	183144.7188	163557.875	129160.0469	181240.6875	121532.2422	152391.0469	152536.4063	141982.6875	168745.0625	171430.7344	170067	162601.8594	172876.6875	130827.9375	132700.4063	170364.4688	133594.2188	184007.625	174026.2344	128492.8281	132524.4844	168180.5938	166683.1719	160667.0156	165962.9063	159802.625	136858.8125	169996.375	190030.5469	132493.8906	120867.5391	115804.1016	163623.3281	181517.6406	116401.5625	156435.6719	154684.0625	136761.0156	193668.6563	159599.9219	128344.6875	135693.4219	162192.2031	145775.3906	152187.7656	170221.9531
FA (14:2) tetradecadienal	64834.99219	128230.7422	266263	100996.2344	137198.4688	86172.07813	109867.9688	115036.6172	138211.5469	215112.8438	208510.375	352058.7813	251514.6875	144520.6719	274111.6875	288703.6875	307674	779936.0625	130974.3125	284661.125	321310.3438	114183.0703	53015.30078	77336.82031	215472.7969	139965.3438	370571.1563	187186.5625	111982.9688	78917.63281	91299.875	110999.2969	109103.5078	134890.5469	125612.1953	107175.1172	291541.375	276423.9375	184992.3594	62778.65625	50772.98828	418116.5625	110354.2813	178646.3125	97764.71094	94606.11719	125971.75	381841.125	197014.8438	99555.08594	192730.3594	195843.6563	241695.5	261852.9063	244371.5313	136366	180541.5313	100298.3359	126769.6172	231068.1563	176014.2656	289459.7188	533374.5625	58400.85156	108420.3672	101331.7891	79380.67188	332181.5313	89243.46094	317180.6563	271582.5	206092.2344	138139.875	279680.3438	403028.8438	89018.91406	96650.16406	165329.4844	73263.77344	73000.58594	92260.47656	107632.0078	119606.4922	150163.625	168053.3125	152546.125	92694.45313	112315.4375	74525.40625	103749.3047	200051.2656	97959.99219	330608.7813	334292.5938	55785.09766	81288.11719
FA (16:2)	230559.3438	461524.2813	292156.5625	250862.2813	343512	607053.3125	267326.1875	207118.625	211235.4375	408241.125	214647.9844	471489.2813	299624.9688	147290.2344	251151.375	242295.4688	375558.2813	645337.25	95007.99219	496234.5313	434349.4063	235458.4063	149294.0781	318508.9063	333909.0313	276404.4375	600441.5625	168985.8594	293687.1875	667493.3125	339646.3125	304232.1875	426460.2188	364354.1875	364992.0938	264358.125	379923.625	313431.8125	487127.8438	109533.8281	306877.0313	616713	282678.6875	505132.5313	395494.0938	534377.1875	343337.0938	353456.0938	449113.4063	217138.9375	474795.5625	204806.4688	248621	270902	257413.7813	101210.0938	136564.3125	161029.625	275012.7813	229699.7656	255089.875	283014.1875	746657.25	115917.1641	407933.2813	408417.75	177154.9063	480261.4375	440886.3125	319406.0625	489765.875	309352.9375	207474.2656	377299	462090.625	197089.0469	338833.4688	423648.3125	198085.9063	299911.7813	251269.4219	236958.2813	386758.0313	316371.3125	137124.3438	335899.5938	153107.9375	128592.0547	324203.6875	478588.3438	250425.7031	128128.9297	411696.8438	328911	147051.7813	305059.9063
FA hydroxy(18:1)]	3719425.25	13890306	1216361.5	2681980	13721021	21632420	7225267.5	4349801.5	7208013	10398441	2006507.375	9670022	12593559	2105893	8747617	3408219	12837011	23600124	865045.75	21159910	21243162	12825312	1025645.313	17976912	10006329	3444308	21807224	2759178.25	4139273	19380930	14013099	8519270	13779023	14084993	13265644	3414970.75	6409902.5	7734717	20208744	2279519.5	10417668	28761182	7221182	21765968	6194670	22107726	8795726	8784495	7396755	4479498	8483692	4231657.5	10285345	6472287.5	5822434	1102433.875	2192735.75	2722945.75	7244821.5	3780734.25	11192804	3791710.5	32360510	1368914.375	23067234	21776160	4730492.5	17331272	15129077	9653380	24000926	7720334.5	3627155.75	17159322	13500874	3118023.75	11189692	16366561	3255368.75	6940312	5886298	7621019	14033054	6310958.5	410809.875	1712675.875	412974.6875	1985617.25	13419982	20194594	6134395.5	1875590	21643028	15075453	3845487.25	6000033
Fenothiocarb	174757.125	184693.3125	198722.0625	242116.875	152376.8906	260059.9063	206952.5625	230052.2031	231911.0469	184889.0469	235755.5	221326.7969	178609.4688	247108.3438	160283.6563	219550.9844	262828.8438	210708.8125	153954.2031	243446.3281	183001.2813	278905.1563	275208.625	171461.2813	132461.875	187607.3906	220437.1563	152631.0625	162956.4375	211164.5156	207652.1406	200517.9219	238689.625	191553.2969	187818.7031	269001.0313	185377.5469	269375.4375	222824.375	266529.1875	261057.6719	194909.8594	198372.5	259873.9375	216452.7344	263917.875	246310.9688	164817.625	210172.8438	195065.9531	218473.0781	141571.6563	176435.875	179503.5313	235168.75	224852.3281	248840.1563	273245.2188	188778.4688	210842.6875	183920.8438	218061.2656	280394.25	211229.2188	242721.3281	174561.4688	182935.8125	187965.5313	185494.1406	178088.0625	244157.9844	101990.0625	185181	163328.5625	218407.1875	177393.7656	201405.2344	206564.2656	237646.4688	207486.2344	211371.125	194638.2656	186724.3906	208761.2969	180689.6094	214722.5	133802.375	232261.9844	222918.5781	219867.7344	227895.4531	298235.4688	211874.2188	242437.2969	267964.4375	230654.25
Fructoselysine 6-phosphate	123361.5547	93732.60156	118248.7891	155738.4844	101315.0313	128802.1406	170108.8281	112085	123159.4531	154811.5313	137122.9531	134206.125	30334.39258	39269.35938	46403.84766	42170.26563	39128.86328	54242.10156	32533.87109	41499.52344	40031.3125	33473.77734	38531.85547	40294.66797	111423.5078	87365.69531	103150.4609	153077.5938	106015.375	107361.9219	222786.4375	124150.8516	173147.9688	276751.6563	160392.7813	210045.5313	38001.00391	35113.375	36153.65234	42880.05469	38904.28516	37268.41406	38938.19531	43301.64844	43006.92578	40326.28125	40850.55078	40745.66016	133943.5156	96109.55469	93032.375	131612.4844	110855.3125	121549.3203	169476.2813	137105.0625	134642.9219	198098.4844	111423.7734	150400.75	38118.65625	33764	75722.3125	30119.56445	33614.03516	45664.76953	29349.60938	39496.42578	39494.83984	30915.0918	40086.55859	40924.53125	122538.2266	112339.7656	103552.1641	143226.4531	111260.7188	105994.9453	187733.3281	116833.2891	106524.3672	199391.3438	124887.5859	147946.0156	42787.85938	29243.4043	37893.20313	41156.48438	40559.78906	42367.77734	39044.53516	38812.33594	45694.60156	40651.31641	46072.17969	43062.32031
gamma-Glutamyl-Se-methylselenocysteine	160688.5625	161979.9219	137108.8438	163003.9375	170481	152859.2188	153812.4531	142012.2969	174421.8906	164584.5625	94200.8125	207598.875	140984.625	183806.7344	304611.2813	274338.5313	317940.4375	419640.8438	241015.0156	494346.125	550747.75	518806.5625	538061.4375	618899.0625	113193.8828	161504.7656	137137.125	146233.625	168963.5156	209755.0781	205355.75	138901.2188	215506.1563	293604.9375	148426	276416.7813	207668.4688	237415.6719	294450.1563	297091.2188	265459.4063	444350.0313	261284.4531	330268.25	444535.9375	621517.75	670295.75	645925.5625	169171.2969	162872.5625	162120.8438	112037.6406	133528.5781	155568.0625	129230.9922	137779.2188	210699.2969	167656.5156	114254.5313	241462.6875	86992.51563	219437.5313	464489.6563	201824.4063	369540.375	529818.3125	347812.4063	600952.375	497983.9375	415324.2813	484138.625	729443.25	104679.9219	195526.5313	185231.7813	109907.8984	135624.9688	173057.9219	185637.9219	155862.8438	188900.4063	170134.0156	125914.8281	256339.2813	130384.7813	226527.7344	232231.9531	222566.3281	334150	421192.1875	368091.6875	474545.3438	575488.5625	538612.5	533395.25	727900.5
gamma-L-Glutamyl-L-cysteine	92384.32813	64022.94531	69005.79688	87034.27344	108295.2188	103459.9453	75680.49219	128536.5313	67911.33594	108554.6797	94724.42969	87280.875	12170.42188	23167.1582	25475.0332	22947.6875	24478.19336	25788.89258	16457.52148	23005.54492	16560.21094	20446.04102	26564.00586	17152.72656	51175.05859	131401.9688	84289.92969	72086.25781	96684.71094	73183.25781	79680.50781	80165.04688	63253.10547	113723.7813	103199.8906	79123.80469	23022.51367	29171.59961	23209.73438	14602.40332	22507.37695	17693.05664	19947.20508	21161.28125	20764.24414	26131.26367	18471.14844	18938.16602	114006.6641	78989.05469	72708.5625	65189.97656	98790.34375	97871.9375	101191.7578	102772.7266	65912.09375	101554.9453	92462.33594	91822.94531	17795.39648	30558.10742	37393.40625	19349.58398	17349.72656	28047.04883	16430.89453	27001.96875	12841.81055	24633.24414	29315.92969	19453.43164	92786.96094	97620.98438	90984.72656	76380.46094	84119.41406	89297.78906	96840.42969	87405.64844	69916.27344	78969.53125	98724.64844	87937.42188	24086.17383	17872.22852	17798.51758	19323.65234	17161.51563	22698.20117	17407.94727	23635.35352	21855.74219	22281.80664	29305.23047	24193.18164
Ganglioside GA1 (d18:1/24:1(15Z))	43957.66797	166345.2188	173655	72102.73438	38522.35547	110513.2656	74502.33594	123286.1016	387107.5625	161077.2188	536010.8125	167953.3594	46634.58203	93781.95313	87184.72656	168351.9844	66536.1875	132830.7344	55461.39063	143527.75	139643.5156	248213.9375	141357.8125	132517.6094	62455.34375	84450.125	115428.25	80680.28906	76740.76563	246686.4688	40693.90625	85302.67188	241363.2031	79718.15625	106979.4453	133592.3438	132963.9531	106041.7969	539603.125	86864.54688	132076.6406	311022.125	222185.6563	84319.76563	112562.2266	73043.63281	75815.24219	234951.1719	97012.54688	93565.60938	88758.61719	52583.49609	274746.125	98201.5625	144933.5469	124103.9297	152803.0625	58107.57813	248748.5938	101539.6406	83392.57031	135710.4219	15375.50195	42016.03906	196157.4375	105094.3203	45993.71484	122377.5313	150890.0313	67744.35938	72404.97656	201530.4063	72400.08594	94096.07813	46630.12891	131696.5313	96250.89844	105626.2109	181920.9219	270737.9063	127111.8984	102133.0547	70984.875	134125.4063	131641.9531	57998.80859	64298.42969	77107.96875	103322.4141	105666	52734.79688	95171.50781	271285.1875	291914.4375	78045.78125	105428.4375
GDP	36663.99219	44581.25391	28027.96484	46933.57813	31427.9043	45659.23438	58047.60547	32187.81641	61116.09766	42410.37891	34348.14063	55987.46484	41280.15234	39215.14453	103420.3125	49936.89063	59402.94531	106630.1016	94924.36719	46203.86719	157787.875	56880.85547	60258.75	118456.2109	36007.37891	23101.63477	34739.74609	41786.90625	28323.19531	30897.9082	41800.19922	36013.58594	32704.54688	44482.60547	29128.45703	62974.27344	60028.74219	57957.91406	90354.14844	55668.30078	64934.86328	103740.2109	70080.15625	69684.21094	122090.5	76888.26563	80836.00781	104826.8828	28405.26563	30170.62891	32141.95898	35639.26953	34498.96484	28370.38867	58066.75781	44844.28516	44131.11719	35882.0625	44385.55859	52753.33203	65081	60778.48438	115027.6484	63927.36719	70765.25	119344.0313	47592.16406	69988.44531	136880.7656	49403.1875	48890.32813	120260.7266	51121.04688	33985.43359	29081.14648	53038.14453	40850.96094	27300.7793	51273.64063	35201.86719	61754.60156	39469.34766	43156.60547	63394.32422	70790.11719	40863.66016	61459.68359	53386.74609	62494.17969	110960.0313	74796.32031	82346.84375	110993.9531	49797.28906	58860.05859	115134.7813
GDP-3,6-dideoxy-D-galactose	87656.46875	156409.7031	535875.875	99728.55469	143849.7344	127067.8359	143077.7656	122823.5234	195024.4844	197718.3906	120754.8203	122567.6563	39378.44922	89946.84375	585851.9375	76384.625	319839	191593.9375	54816.64063	101513.3203	153032.4219	66701.89063	40039.27344	252975.7656	59000.20703	139096.2969	215767.5469	82987.875	129221.3672	117028.9688	130616.2031	88773.89844	164683.0781	338052.0625	186769.9844	170377.0469	58527.92969	62431.81641	235585.1563	57794.07422	98898.375	191476.6719	58321.61328	207350.625	127086.1641	86929.89063	285214.6563	92245.27344	152469.5469	211161.4375	216759.2813	100201.2422	59110.69141	123308.1484	182287	179798.4688	274953.3125	204630.2188	120790.4453	153342.0469	39610.19141	217514.3438	495846.0625	38255.12109	116367.9688	97363.69531	51293.92969	285103.5938	146635.7188	25473.22266	139826.1719	134489.375	116338.0469	169523.1875	134787.4375	160140.2656	231048.0781	214052.9688	239700.2344	184218.8438	67227.5	104666.9609	182420.7031	275419.7813	43813	76708.55469	153297.9219	84251.92969	336659.4688	140908.5	154926.1406	193107.7188	78773.85938	51059.36719	248720.0156	39130.68359
GDP-mannose	178647.75	213199.6875	131115.9844	222958.7969	139831.4531	124343.2813	267206.125	117393.75	129860.1172	171145.7813	150635.0313	125480.7969	198266.3438	217017.0469	141154.0625	231743.7813	278253.9375	83046.53906	412131.5625	246691.4844	136667.7813	244853.6406	284220.5625	81949.3125	158090.8594	101294.9531	163237.7656	191930.0625	139449.1563	123408.625	162527.6406	162229.875	133960.1094	203363.2188	134768.1875	118371.1484	198338.125	260927.4688	89621.46875	299479.625	324755.9063	96403.14844	234868.2344	223227.0313	89476.95313	318866.3125	375356.625	78981.86719	165904.375	148261.8906	154281.5938	159975.625	167944.3125	117683.5391	196139.2344	152305.875	120843.4141	169705.4688	165657.7188	124457.7891	280506.75	299406.7188	150617.0156	196444.5	246210.3438	100569.3359	220105.1094	226699.4063	118706.7891	217119.6406	228383.0938	77505.24219	261889.3438	140651.1563	155516.7344	260008.3281	155238.4688	134420.4219	213918.0938	143187.7969	119063.2109	233453.0469	156501.3438	155290.7813	351188.8125	188461.1719	83623.51563	216417.8438	268573.6875	95102.98438	237119.2344	312631.9688	98685.74219	260286.625	290722.0625	77948.61719
Glu-Ala-Ser	163587.2813	236732.9688	109495.3594	245247.2188	237301.4844	114706.2734	180334.3438	205451.9375	92998.15625	169063.3281	216221.8281	106718.7656	78410.75781	97765.65625	122936.6641	171423.0469	181141.1094	109373.5313	141213.3281	195374.9844	131448.25	201914.5625	236436.1563	180380.3125	189923.0938	229886.3281	117675.5313	237503.8594	239982.5625	143659.4219	288866.9063	232164.4219	162250.125	260291.4844	441937.2813	161793.2813	102548.7734	127046.9141	80869.30469	153375.8594	212006.5469	132935.7344	228855.5156	179813.0469	136207.1406	235842.5	275938.4063	100721.4531	185175.5625	295228.3125	108746.625	258638.9688	223889.8594	132150.0781	198292.5781	321091.5938	141812.2031	217678.2969	227242.6406	105853.6641	75513.82031	98248.07031	139265.7188	116081.1094	164702	92650.24219	163065.7031	204182.7031	127807.9141	231492.125	286591.5625	99641.54688	188175.6406	202744.1719	117335.9375	220923.8594	303617.2188	192964.3906	240338.9531	239114.5781	108296.7891	246399.7969	265530.1875	111431.0234	88782.32813	124955.9688	101915.1875	213121.4688	168120.5625	132362.7813	153907.7656	246191.125	115399.6563	200384.7656	324075.6563	114848.125
Glu-Cys-Thr	93249.20313	121739.5078	100606.8906	108514.25	101354.3906	83819.9375	100822.0703	101444.7813	102966.7422	104932.9922	81762.50781	87215.54688	119488.0234	146186.3281	74681.78906	116049.9453	152655.75	88303.33594	104129.8203	113754.7734	79400.04688	105764.6328	115313.0938	73595.97656	89209.69531	95271.07031	100810.0469	77746.13281	89491.28125	84916.64063	113515.8359	74295.80469	85993.63281	97623.75781	97775.99219	103897.0781	107367.9375	129236.4766	82583.50781	107492.4375	122438.8594	84851.15625	131260.6875	117058.375	142244.0625	103186.0313	117066.8359	90890.89844	129033.4922	79123.0625	95511.02344	110789.875	89168.39844	74036.13281	97224.73438	93997.33594	95195.74219	120827.2656	97037.75	93354.82031	106690.7266	143049.7344	155419	95634.75	152073.1094	64565.05078	89443.42188	125035.0938	54225.58594	80697.17969	105776.2813	76150.78125	62452.39844	103646.7031	103977.3047	100973.6484	91634.4375	88178.64844	102504.0156	93067.19531	79755.125	82676.50781	92344.90625	101757.2734	74958.46875	149390.1563	105224.3594	128011.0703	111603.7969	71638.84375	140186.7813	131901.0938	87727.45313	128028.6797	108518.5156	80526.82031
Glu-Glu	57756.47656	53169.90234	35938.25391	39674.79297	24101.15625	32806.8125	21498.9668	22303.15625	17933.71875	21006.3457	35816.69922	21133.35352	0	0	0	0	0	0	0	0	0	0	0	0	46959.73438	52602.94922	22817.89063	82539.20313	71482.33594	74470.17188	138746.1094	128369.4375	104516.3828	134844.4219	107028.8594	106716.7266	0	0	0	0	0	0	0	0	0	0	0	0	63004.93359	61930.23047	34767.24609	44378.32422	39702.67578	39435.48438	44241.39063	28462.35547	24817.80664	42110.28516	32230.92773	18271.67578	0	0	9296.946289	0	0	0	0	0	0	0	0	0	66952.89063	56465.75391	30277.97461	70208.39844	56513.64063	45967.67969	56232.45313	35544.83984	22618.5625	49965.60938	36511.89844	21031.67383	0	0	3658.533691	0	0	0	0	0	0	0	0	0
Glu-Glu-Pro	40421.58203	32576.3418	34409.52344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39747.07422	31077.89453	38032.58984	105383.9844	51167.71875	57483.98438	99345.00781	68867.60156	87449.15625	184542.8281	119887.2031	101527.0078	0	0	0	0	0	0	0	0	0	0	0	0	47955.94141	37969.5625	33666.99609	23884.62305	5290.532227	8650.177734	20104.40234	3979.172119	0	21463.52734	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59163.71484	27145.05469	32875.23438	40084.53906	14947.37402	15601.01855	31119.48633	10098.47461	4608.474609	35647.71484	10247.62305	0	0	0	0	0	0	0	0	0	0	0	0	0
Glu-Gly	41350.15234	38476.82813	33114.64453	31351.71094	37519.01172	26671.69531	48215.74219	46432.34375	23937.06055	43624.28516	52253.82422	31254.14453	78418.66406	104126.6406	158696.7813	89695.00781	62661.30859	99247.71094	68965.32031	56940.86719	100922.6719	80557.85156	73463.01563	73475.89063	39401.97656	35702.14063	28868.88867	56770.24219	48551.65234	45579.65625	63820.83984	48601.28906	38972.87891	70154.97656	43163.48438	33486.27344	117619.6016	69175.13281	89717.78906	68725.42188	65768.88281	144184.3594	74883.67969	61072.33594	86780.5	111155.1953	95189.21094	73468.82031	48367.58594	34661.67969	30022.84375	26251.18945	32554.02539	25262.10742	31229.17969	25583.125	21736.9082	30724.33594	27620.98438	23271.12695	106274.3047	64225.83203	194863.2969	59580.89453	56302.30078	102523.1875	57211.75	64862.36719	125741.0781	68460.125	86484.03906	87112.14063	51133.22266	38748.76563	35497.07813	46000.52734	42318.5625	33802.89063	69599.25	46609.18359	28264.83203	29504.49219	26644.10742	29353.05273	73979.17969	76227.73438	95393.82813	71782.41406	60722.54688	99884.69531	80680.66406	73343.99219	98783.60156	67708.10156	75672.55469	82999.625
Glu-His-Val	252133.2813	135274.875	193418.5781	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	216522.0781	124563.6172	226665.8594	274511.5	136099.0938	149481.4688	258472.7031	141379.2188	190946.8594	300454.25	226149.6563	235258.9219	0	0	0	0	0	0	0	0	0	0	0	0	255237.8438	133304.8906	232818.7656	78796.48438	12063.87402	14318.50879	55910.47656	13597.30859	8007.412109	60727.44141	6814.723633	0	0	0	0	0	0	0	0	0	0	0	0	0	251481.5313	131183.9531	207932.8594	119397.8125	46834.5	30944.73633	105025.5625	33213.0625	15747.49219	69071.92188	19995.47852	0	0	0	0	0	0	0	0	0	0	0	0	0
Glu-Met-Ser	49435.08203	126466.2891	203824.9375	88283.75781	104823.4766	259292.9375	108412.0938	81410.11719	234821.1094	67955.89844	113322.4063	258771.4844	140678.2813	160454.2188	275271.6563	227097.9375	390109.0625	454261.8438	280435.2813	706375.9375	614888.6875	508455.6563	691728.0625	740575	71188.39063	101787.3984	206294.7188	73533.28906	104217.0938	309024.9375	67342.11719	137605.6406	243933.75	103913.1094	165607.875	308721.2188	160841.5625	326069.8438	276529.625	305070.4375	386309.0313	414131.5	377068.4688	482820.7813	661423.1875	442756.6563	1236965.625	878305.75	58998.91016	138281.7813	217762.8594	61514.52734	79047.46094	273612.9375	68774.61719	128831.0469	252709.375	79726.22656	166208.8281	247250.0156	154463.3281	259627.75	403163.1563	219829.875	381403.0625	399631.75	274908.9688	528742.4375	565893.6875	423648.7188	678329.4375	732294.5	70004.67969	111784.9219	231218.0313	67790.05469	114807.625	278741.8438	78516.875	112769.2266	188536.2344	65941.41406	152095.125	242214.5781	184411.7813	221535.4688	307215.5313	183004.625	294288.5	390569.5313	310037.6875	602699.25	442260.3438	548826.5625	691781.125	652232.1875
Glu-Pro	264165.6875	178257.4219	114960.9219	22495.45508	12470.21484	0	0	16961.61523	0	22384.08594	26990.23242	0	16819.89648	0	0	54192.42578	20906.85547	0	0	20139.58594	0	16656.14844	0	0	152707.0625	212253.2344	178519.3125	266108.6875	196497.9531	138004.5	328283.75	239152.5156	171203	395332.0313	266467.4375	237906.4219	0	0	0	21665.85547	0	0	12550.12207	56262.92188	0	24656.19141	20451.19531	0	239213.3594	156886.0938	169916.7188	115146.1484	66872.72656	75913.45313	95394.13281	77605.13281	46322.71875	90517.6875	28038.09961	18217.51563	16577.29102	19982.30664	0	0	18905.46289	0	13467.53223	21630.42578	0	19777.94141	18200.1582	0	243851.4063	155176.1406	106047.0781	201343.2031	79908.92188	72207.09375	173252.0781	90063.71875	34754.33594	105222.8203	65862.19531	19663.24023	12981.25098	11164.72852	0	34356.69141	16125.80859	0	16236.82031	19786.89844	0	0	25434.61523	0
Glycyl-leucine	13343.73633	34673.93359	104815.6406	24680.05859	23371.44531	62791.14844	19013.21094	28615.89258	78522.22656	11958.45215	26162.91211	101009.8281	28141.10938	42954.125	64653.60156	42504.55859	48277.19141	118421.8281	49088.11328	102908.9609	164490.2813	89586.21094	133736.4688	150140.5156	17911.06836	20905.63086	80161.17188	11596.3877	31303.53906	62021.39063	20503.20898	23231.99023	65377.89453	16364.58887	29338.98438	75442.45313	23796.17383	42474.96484	83968.64844	52423.58984	76780.00781	127666.7656	62691.33203	70860.78125	161068.7813	49439.96875	107137.2031	215044.0938	15124.37598	31703.11719	77668.03906	12957.06445	26319.5957	61281.25	11798.65918	27723.81445	72541.21094	11842.81348	22147.31836	65402.50781	41563.78516	52668.74609	126773.8281	47427.61719	59657.01953	105185.1797	49787.08203	102650.7578	146135.0938	72042.21094	163049.3594	168833.5156	21553.2793	21155.96484	70773.15625	14002.53223	30424.20703	90475.85938	16401.60547	23193.83594	66759.55469	16085.2373	37029.96484	82308.1875	35121.37891	44057.44141	75770.125	46120.18359	91652.00781	100300.7031	86076.14063	107950.5313	193349.5938	94013.20313	95027.42188	185157.5313
Gly-Gly-Pro	49195.69141	54159.03516	70748.82813	60921.25	55719.48828	84444.39063	55340.41016	57254.51563	126935.0078	53936.48047	58741.55469	117703.2344	56684.49219	65979.80469	110848.9063	65907.3125	74780.07031	88565.58594	65249.97656	69440.86719	131415.0625	65328.14063	70951.22656	120804.3359	35657.44531	59276.78906	85389.0625	59584.5625	56768.37891	79902.50781	55183.79688	60229.05078	100410.0781	49601.63281	64731.50391	111167.2969	56281.85938	77489.40625	82838.625	84943.91406	88231.64844	115669.5703	59767.03516	84908.46094	103497.2734	62784.82422	77397.64844	99054.03906	54220.32031	59652.68359	77024.61719	52185.85938	37900.55469	111602.3281	50266.96484	59009.27734	94033.79688	57012.11328	40953.08984	97356.5625	45999.16016	95495.78906	159292.2188	65276.65234	69261.90625	89564.71875	64710.34766	90549.24219	87086.125	58082.86328	75876.64063	124143.9453	45923.81641	54606.17188	101918.3047	57078.60938	48516.15625	85626.10156	52796.35156	58516.67578	94485.625	49157.38281	51629.07813	104855.3047	64864.61328	78890.69531	84411.38281	59873.76953	78898.40625	79910.61719	85734.67969	70526.875	107964.6641	74744.44531	74187.27344	100743.9297
Gly-His	185833.1719	195030.3906	208691.2344	163938.8594	149299.2344	170511.1094	155371.125	164469.0313	195834.7656	165340.8281	150528.7813	192169.0625	101802.8203	124838.2109	154454.4063	179302.2344	149444.6094	131720.0469	133896.625	181470.6406	203726.0156	141808.6719	149759.4219	171138.1094	215353.9375	164037.2813	206412.5313	288172.0313	155374.4688	179834.4063	266245.0938	200944.3594	217311.0469	278270.0938	221560.1406	321695.5938	203536.1094	175402.0313	169627.5469	172707.3594	139359.7813	179908.7188	193540.9375	171336.9688	191984.2031	163526.125	155020.6875	177186.9531	286250.8125	212214.1094	218908.6563	208869.6406	116560.2813	224542.7969	179451.1094	193705.5625	121514.6953	205213.4063	162910.0469	154951.8438	126659.7734	138344.5938	213862.7656	152587.1719	186825.5313	213469.4219	99629.23438	233098.3281	134275.4219	101004.4219	163712.9219	209690.7188	188658.9063	167070.2031	209670.3594	241329.4844	153923.0625	204498.8281	206659.0313	164973.6406	143075.5625	206613.9844	184046.75	197129.5625	122003.6563	159683.7813	148526.5	132645.8281	186341.5781	146809.4688	177334.8906	167425.3594	160773.3281	126463.0313	128742.2969	193127.5
Guanine	32534.33789	45057.46484	52938.69531	141037.7344	84127.07813	131902.2188	250488.4375	132320.3594	274327.6563	316950.75	158242.4844	277508.2813	43465.27344	42636.74219	57690.69141	65354.28906	47616.20703	47609.21875	69107.4375	57635.05469	50926.77344	45056.25781	68661.53906	48695.32031	54089.51563	40433.48828	50359.16406	157672.6563	92053.71094	167707.3125	362417.8438	207153.8594	334685.4063	689055.875	473292.25	450269.5	38970.26563	60699.81641	36365.94922	45658.69922	55600.94141	44440.01563	49178.22656	68403.34375	65775.91406	55103.50391	69302.67188	57020.6875	51628.75391	37266.60938	57942.99609	138448.9063	112706.6094	186464.2969	240259.5781	117906.875	206488.9219	305906.3438	147825.6563	234894.1875	29622.60742	50014.50781	81093.91406	35334.75	44239.93359	53062.87109	64090.82813	59561.97656	46878.67578	45622.25781	86002.88281	70156.11719	47373.69922	51430.3125	70490.28906	143059.6875	87176.89844	120035.5391	334542.25	155944.7969	154706.8281	325428.625	225161	291510.4688	43363.91016	49340.37109	61449.03516	47219.71875	54781.40234	48271.14063	59312.92969	68293.02344	62709.26563	70740.96094	64024.19141	63023.77734
Heme	246005.9219	536798.3125	320121.8438	299026.375	297315.9063	247412.6563	236751.4844	274342.9375	229578.0313	233514.5469	232862.7188	234956.7813	319125.625	662576.4375	353006.4375	316370.2813	326988.4688	355168.75	211564.6719	350497.6563	463606.7813	347064.5313	340061.5938	310656.6875	289074.5938	414333	265848.5313	359948.2188	262033.375	245264.4531	209737.6719	222726.9063	261623.9063	208180.0156	247362.8594	273791.25	330863.6875	659910.4375	253980.6094	393758.9063	508029.6875	497578.5	429416.1875	465558.3125	340841.8125	464930.7813	498255.5938	406243.25	254866.3906	475691.0938	286109.5313	232412.125	244878.9219	223770.5313	255118.8438	279319.5	224921.375	217912.8594	239312.7188	231708.0469	250038.25	605205.8125	321645.0625	350543.375	358572.2188	379840.5938	393864.75	321175.4688	407651.5625	321066.625	356458.5	322254.2188	251141.3281	470563.8438	253163.0625	268765	279149.4063	259969.3594	276484.2813	258648.9688	246318.9531	269608.1563	227236.0313	254129.5	369516.875	693179.125	274207.5938	409191.3125	390633.5313	452172.2188	335222.0625	343535.4063	452416.5313	423506.0938	395622.3438	429432.0625
Heptadecanoylcarnitine	130527.0781	123016.7891	179665.1094	143765.2188	160651.2656	327973.5	169657.125	157600.25	334464.5313	172310.4531	158751.3594	437865.1563	146965.1875	236600.7344	508757.125	213304.4219	373037.1563	568891.875	274367.7813	421581.4375	725924.8125	267649.5313	469819.875	493843.5625	96208.34375	154812	176307.6563	120985.5703	121147.4531	263598.6563	138553.0469	138058.5781	369617.7813	190821.6094	168899.5625	456381.125	270313.1563	255384.9844	420320.7188	264165.4688	329080.9688	621538.8125	258087.9531	559160.875	607127.75	333243.8125	310854.1875	499381.0938	203616.3281	157754.9688	205389.5781	161844.3594	152247.2031	296840.0313	142140.4844	164183.3125	324106.0625	182607.0781	138963.5313	350139	256599.0313	275805.9063	938131.5625	205798.9531	367092.25	649120.9375	146981.1875	413320.8125	370206.6875	237842.7813	387429.2813	544020.6875	131817.625	121423.3516	225988.6406	147962.3906	113119.9219	324889.8438	135821.3125	148688.7031	411114.8438	95621.95313	184148.1719	352115.9688	187413.5156	313865.2813	693603	299269.25	267553.0938	428270	279625.4375	308885	512463.9688	355066.4063	407830.3125	622998.5
Heterodendrin	135934.5469	142782.125	198000.5156	127834.6406	86572.46875	161404.9375	154047.5313	117036.4922	154845.9688	130759.4609	137123.1875	223993.6094	157755.2344	222307.2188	270087.9688	161946.6406	276389.9375	194949.6719	141343.4063	253446.2031	283287.8438	189432.5781	256416.5625	190392.4531	115275.7344	127804.9609	163226.7188	140089.0938	131187.3125	176605.0469	119024.7109	46120.85938	216448.7813	126608.8203	156000.4531	227916.9688	181128.0781	249523.7188	190626.8438	213437.1875	166270.1719	296235	187666.5	247433.7188	179423.625	214700.9375	284845.7813	182739.9219	118014.2344	120922.9766	195638.9688	120017.2344	127580.5938	179665	126644.7578	188715.8125	140510.7656	140993.9063	139647.8281	196640.875	117922.5313	241706.1094	432348.6563	134562.6094	181466.9688	212131.5156	139473.4844	234393.4531	219101.0313	178261.0313	248685.1875	200196.6719	132036.8438	118028.5	187830.0938	129132.2969	149515.6406	183236.0938	160628.75	139382.2188	189011.6719	103354.6875	131730.4219	167094.0938	163671.4844	209822.2813	179626.25	213417.2969	268782.875	237615.9375	179129.6563	252908.0625	235148.5	213590.9688	257793.2813	224010.7188
Homocarnosine	86121.79688	73067.22656	64979.28125	91164.16406	100081.5156	75645.375	84440.89844	108836.8281	56159.56641	93755.25	90598.21875	77416.30469	122433.1094	123380.6563	76637.54688	118166.4297	143590.9063	52660.87891	142469.6875	152539.2188	74421.39063	134290.2656	93662.9375	65689.61719	82040.66406	63894.48438	51824.39063	86257.51563	103608.5469	47615.82031	132221.7813	76704.4375	59061.64063	106492.3516	108836.0859	51633.08594	121592.9141	117056.4141	74372.85156	141043.4063	135075.2031	61927.17578	133066.9531	125970.8984	46405.16797	119207.1406	154204.7031	65948.625	104968.1484	79593.30469	52053.07031	64480.76563	84354.16406	52205.58594	107028.9922	82708.47656	43679.84375	112658.875	106688.2109	42443.84375	94664.52344	178026.5156	111662.7031	97625.82813	146710.4531	57579.62891	126559.6875	128951.9141	61710.32422	221483.9844	182460.8594	52142.875	69335.48438	107969.0625	51163.72656	100501.2656	84492.03906	75842.46094	77370.01563	80264.21094	48849.10938	75713.58594	78637.45313	73543.17969	111509.4141	137557.375	81464.42969	151967.6875	161366.3438	48493.59766	140437.2031	182804.6406	63156	125819.5078	112904.0234	73087.35156
Homostachydrine	28380.11914	14628.62988	92035.84375	18333.60547	15770.86328	108775.5547	20855.07813	17223.99219	75846.98438	30466.33008	26155.98242	69570.67188	37467.55859	59119.82422	84843.79688	44452.86719	30933.80859	117304.2969	31960.47852	59742.61719	94589.42188	34610.96875	54104.45313	122271.5625	20936.24414	20044.99219	81943.20313	20849.03711	12670.44824	69366.83594	33172.03516	32661.84375	73958.92969	21703.03711	20331.5918	83707.75781	30914.55469	45014.28516	125429.8672	41897.85547	61846.12891	114601.1328	46038.38281	58694.15234	86029.11719	39356.50781	45586.5625	94506.20313	13637.16016	20228.75977	68193.44531	29634.46289	14607.6748	97455.61719	15234.20898	29035.01367	69434.45313	20567.68164	17838.8418	69701.02344	42694.07422	37008.61328	197598.9531	37805.89063	50490.20703	135617.9688	39957.46094	47650.98828	90995.03906	36056.02344	39844.76563	88267.05469	44924.39844	15489.21094	74602.13281	24549.29492	11682.99512	68855.97656	23084.21875	13836.03906	78993.34375	31919.33594	21572.10547	75434.26563	30547.51758	54487.73828	105213.2969	41474.95703	37529.78906	93937.52344	44594.83594	49124.63281	103923.8438	43814.78516	48892.58203	98474.58594
Hydroxybutyrylcarnitine	92685.3125	108354.8047	209789.0313	122780.3516	90307.35938	211097	132567.9688	108899.6328	234848.1563	115506.4688	106536.3125	236266.7656	191785.8906	275699.8438	278185.6563	222059.6719	223631.3438	348151	170778.4219	263111.875	328335.75	253264.6406	251612.7188	270095.5313	97553.5625	100312.125	212221.7031	122319.2813	94609.88281	223422.0469	125629.0703	108584.2891	230021.5469	151090.125	119314.0391	270911.1563	194275.1406	249340.125	263159.5313	244784.9844	237886.5469	304059.1875	187486.1875	280850.5313	333805.0938	214583.0625	262636.4063	285726.7813	147137.1719	102227.9297	233397.7969	102329.0469	99108.71094	255027.5938	138671.1719	100199.125	231607.1719	124253.8359	133731.0313	232445.5938	195086.2656	223757.6875	422387.75	208418.2813	290064.2813	253396.1094	156730.2969	289737.3125	261430.9375	219189.5469	308151.8438	410751.8438	114313.5703	115703.8516	255050.3438	146756.1094	126165.3359	221335.3281	148742.8438	108088.6172	186350.4063	88444	101472	221693.5938	176726.9688	236216.625	320415	247685.5625	252999.5313	270670.7188	301134.9375	234213.2813	323420.1875	254431.1094	233350.1719	309499.75
Hydroxyhexanoycarnitine	21649.09375	9063.326172	68636.51563	13748.55371	12909.16895	54088.30078	30809.60156	12224.42188	69528.72656	10493	22118.03906	71697.20313	28955.08398	36686.98438	76518.65625	33281.94922	34074.85938	77565	24176.24414	38246.27734	69965.75781	38214.92578	42326.26953	65074.76563	14034.30078	25447.72656	69085.9375	15525.78418	21494.80664	43618.04297	19958.29297	23824.62305	49425.50781	11333.29199	13940.96094	52527.39844	37871.52344	38310.46484	76097.90625	36349.73438	42015.82422	67823.40625	32465.26172	35835.33203	94087.28906	30574.02734	34828.17188	66376.39063	18791.78125	11566.75879	55569.81641	14536.79688	21220.89453	70791.21094	18868.3418	23065.44531	51763.49219	26390.97266	21773.23242	57565.33984	29937.23047	49708.19922	114185.1094	26107.11523	30093.0957	69042.08594	25142.02344	37717.20703	66882.78906	28285.54492	36696.60547	63522.42578	19730.98438	11371.27344	60843.63672	11623.76367	21458.54102	67217.20313	26461.25586	14177.87793	50698.35156	23074.74219	10293.28027	58321.77344	24034.17969	46353.83203	61948.27734	37926.38672	34961.48438	63052.35156	35461.67188	41827.99219	80896.3125	31033.17773	42272.61719	88203.91406
Hydroxypropionylcarnitine	289835.25	222531.3281	309276.0313	334247.375	387075.3125	400629.1875	302051.375	285907.5313	370650.25	307032.1875	346898.5	400969.4375	279429.9375	243712.9219	367369.25	296677.8125	320611.9375	347083.9063	283283.1563	372251.25	360651.75	324090.625	379834.0938	291767.25	293598	304447.8125	332786.4688	219300.8281	333852.4688	350838.3125	295540.9375	342232.4063	371712.7188	372962.375	391267.5313	373842.75	329294.25	293971.0938	368557.25	333688.3125	353217.9063	268236.0938	286806.9375	342946.4688	350426.3125	306639.75	327379.9063	343488.7813	287709.375	342349.0625	360652.5313	272526.3125	319157.6563	400855.4688	316359.4688	266333.5313	291435.375	275975.0625	367176.8438	270354.625	288469.75	240171.5469	325804.1875	251365.3906	299358.8438	315912.0938	264781.2188	337587.8438	262002.9531	292230.8438	303655.5	270182.0625	313473.125	255426.9063	334818.6563	283365.375	275134.9688	343580.7188	278486.7813	416305.0938	337137.0625	339595.0313	313769.25	317465.5938	284184.5	312316.9063	355141.5	384646	317618.4063	294210.5313	386409.3125	379932.2188	378529.3438	308995.5938	310341.0313	404090.6875
Ile-Cys-Gly	120766.3984	119697.3594	132346.2031	91826	104291.9844	200292.7188	80710.1875	138407.0313	219791.625	136569.9219	90846.82031	171888.1406	75143.38281	168188.9219	199748.5781	93883.625	164162.6719	151816.7344	82479	134539.9531	144450.4844	142916.9063	120821.4219	161959.7188	97564.78906	114531.8047	175879.0469	95872.99219	91276.42969	147099.6719	87325.60156	78630.5625	174793.9531	87574.21875	129040.6641	175709.5156	128107.3906	157675.4375	214383.7969	110401.2656	116127.4609	173175.5313	92825.36719	113462.7266	159996.1406	123167.7109	118661.9063	150346.9688	100958.9219	130071.1094	226660.0938	79277.04688	107427.9297	170704.2813	100516.75	85171.72656	183481.5	110660.6875	82995.14844	250846.9844	70971.51563	172992.125	363427.9688	88814.71875	127572.5703	207151.3438	127597.875	109772.8672	139022	67252.26563	155953.2656	162855.8438	139975.2344	96241.51563	221081	91535.05469	98220.36719	213035.4844	96793.54688	114501.9766	183759.1094	89306.66406	94264.75	240823.2969	79327.6875	142657.6563	185988.2969	124206.2422	105537.9844	182360.4063	115394.9219	151024.8281	156714.5	153929.3906	123145.0859	164512.9219
Ile-Leu	172546	169371.0469	177922.8594	127291.4297	149445.3125	167266.6406	146139.0313	167418.1719	221454.3438	184690.1563	137852.0938	169264.8281	177200.8438	169892.6719	213454.4219	160178.1406	145047.3438	183265.6563	129516.1953	192906	239392.0313	128483.9297	162891.25	159985.6094	124905.9141	154473.1563	150763.1406	135956.9219	141535.0781	171592.2656	113890.3516	146720.25	158776.0938	157044.4375	152810.375	220999.3906	142153.25	151910.0313	154868.8438	134901	170202.8594	166229.3125	225991.3125	140669.3594	166583.5	145755.4375	162681.6563	188444.9063	136593.7656	143042.7969	198048.375	130224.2813	131110.2813	169669.5156	147782.5938	120449.4531	136913.875	157901.4688	154721.3594	201429.9063	94725.96094	162759.9531	192331.8281	117517.8359	138487.2344	191697.9063	131019.8047	154995.7656	186717.5156	115425.9219	152742.9063	189276.1094	128510.3047	188006.2188	191048.4219	139455	150706.875	196870.7813	127061.4766	141432.5	210994.625	135407.0938	225445.6094	217812.0938	168192.9219	134462.9531	172782.1563	255102	150931.1094	188694.0156	170424.1719	160328.5313	203746.75	151308	194752.6563	183871.3438
Imidazole-4-methanol	126184.3047	131514.9688	232725	159812.2188	154348.3438	170367.2031	101356.8516	158245.75	238667.1094	96081.84375	182737.1563	278109.25	85136.60938	266636.25	229487.3438	94862.52344	123726.1328	260606	112084.4609	161333.9688	283892.0313	78314.97656	140426.25	300385.8438	57336.33984	175711.8438	119244.0781	140116.4063	174178.9063	167390.9063	84251.96875	191164.6719	81592.03125	103639.7578	144384.7031	213519.6563	96303.17188	218439.0625	229574.3438	124521.6641	107422.375	279036.1563	140816.7188	295040.1563	168729.2656	81432.35156	160294.6094	310920.125	116937.1016	102284.8438	186160.1094	126203.1328	122374.5391	209629.8281	154004.875	181276.4844	142410.9688	175626.0625	154266.7188	164748.2813	77891.74219	90326.80469	158721	162082.7188	108120.1328	225798.6563	69656.03906	154609.5938	175695.4844	105800.6797	406843.125	131924.3594	131104.4531	172047.2656	244315.4844	69637.25	163256.9063	173529.625	80216.78125	264659.5938	162291.2188	88314.01563	307647.0313	186437.7656	83564.54688	144286.4844	177486.3594	165695.9063	119943.9844	137989.7344	81515.30469	110676.7578	167190.9688	164237.2656	162216.5	236325.1406
Indoleacrylicacid	113582.4375	143411.3906	180075.5781	133228.7813	123379.8828	231651.5938	145971.6875	126056.5547	245492.9375	104525.2109	148417.7656	254488.8594	181693.4844	216039.9531	276551.9688	226575.5156	282097.1875	321464.25	179626.4844	367059.8438	289862.6563	260586.6406	242751.7969	247572.0625	103953.8203	119933.0703	187944.1406	109824.5391	134120.2813	200272.9375	117586.0547	112272.4531	202759.4063	150460.0625	141276.4219	194028.0625	212346.5938	225217.7188	461171.0625	222182.4219	317469.0313	296278.0938	250113.7188	266249.4063	344126.3125	273785.6563	293039.2188	276014.7188	134284.4688	126804.2188	238396.1094	93189.71875	133736.2188	185571.7813	189126.4531	122098.6016	183053.8438	144106.9531	117509.3047	201692.75	192522.4844	272659	432950.5625	185522.9375	242111.5938	294211.2188	174488.7969	340670.75	293090.2188	186676	276280.0625	262689.8438	132651.6563	143659.5781	186740.0313	119246.4141	120657.5313	205463.9219	180245.2813	119862.7813	184233.0781	105622.3125	128837.5625	183612.125	165395.6875	315095.9688	288417.2813	213640.125	308378.3125	277595.4063	213154.5781	304283.5938	306988.3438	232509.2188	260796.1094	290462.7188
Inosine	128109.7344	115150.8828	274411	125960.1797	90072.73438	312828.0313	182330.4688	112476.5469	393421.5	166752.1094	81065.07031	332703.25	395788.5	804344.625	613968.1875	363545.4375	439936.875	628561.875	351011.1563	503165.0313	689780.8125	487135.375	653188.1875	721137	118703.6484	96501.875	360218	128057.8516	129004.5625	409888.4688	141283.2813	130305.4844	398531.0625	202854.2344	156458.75	424781.25	454472.5938	616504.8125	851707.6875	551247.375	566628.6875	812105.0625	574286.9375	605014.5	639496.5625	759770.5625	1061751.25	678796.125	128928.3359	107208.4688	390950.8125	126876.7109	112148.0547	369834.1563	157439.7969	88971.04688	399953	127367.1484	82935.82813	418479.5625	318275	616346.1875	1143708	347190.9063	456114.4688	776010.1875	474135.5625	549786.5	553554.5625	416636	824962.3125	708313.5	127583.8125	84459.45313	337549	174959.6406	102423.8906	485780.4375	187133.2188	108278.6484	334479.3438	197190.9375	122084.9141	466708.7813	340358.0938	569147.0625	610974.25	398582.4688	483774.0625	753257.0625	478473.6875	557600	807492.5	533309.3125	952013.0625	681809.75
Isovalerylglutamicacid	48000.73438	69324.71094	71477.27344	44570.96875	112060.625	99918.3125	35209.35938	148422.4844	83776.67188	96806.88281	73130.5625	59974.23047	52061.9375	90621.21875	57303.76563	112822.6016	117695.1875	45846.80078	65569.32813	44812.875	36423.46094	52213.85547	0	87175.78906	27253.25586	73646.75	73129.89063	36532.63281	93342.82813	72817.6875	50085.96875	0	48096.88281	34930.33594	72081.82813	53501.77344	35921.89063	108019.1641	124496.9453	60690.51953	109879.4609	0	69367.89063	112735.6328	20369.98047	46093.71875	0	31150.17188	109335.0781	79348.65625	148098.2969	23419.58203	114732.3359	36677.98828	83875.78906	40050.5	160112.4375	99157.5625	33646.99219	92605.49219	23372.30273	89474.52344	116759.3047	57156.91016	153489.3438	89400.30469	84256.49219	0	59121.42969	30834.71094	46303.80469	0	93704.32813	57130.47266	77258.10938	139250.9219	84804.09375	0	74048.85938	100787.1719	74916.10938	144237.0469	56633.51563	107530.2344	45325.26563	173506.6719	124907.1797	84197.71875	130150.4688	42129.93359	84800.85938	43183.63672	64845.01172	89895.01563	0	38552.125
Lacto-N-tetraose	88303.08594	90753.64063	23149.05078	101958.6953	82793	20846.04883	101884.9297	96998.78125	25230.29102	87563.63281	100869.2813	24382.3418	87911.95313	112736.9609	26871.17969	119184.2578	120450.0938	20319.69141	93089.92188	133865.3281	22834.0625	124182.0625	128965.6797	22030.99414	90802.0625	78309.59375	31327.04492	76298.28906	94944.05469	25724.375	94552.73438	92122.57031	28685.17188	104752.8047	92002.60156	24791.02539	105842.875	124665.8203	20968.88867	131802	114312.9531	19790.78906	100500.375	142336.0469	19498.41797	134138.4063	124502.5938	21414.57031	86007.21875	85433.49219	23076.66992	78409.67188	100559.8672	24096.76953	97304.39063	105087.6016	21933.34375	111965.8516	104227.9453	22820.98828	103763.8281	108343.4141	33918.96875	101874.3906	129492.3125	21316.79688	109889.3281	112143.6016	20313.66602	102947.2188	123864.3359	19463.54688	93388.79688	92358.8125	27200.78906	93898.30469	91247.39844	23421.74414	117609.8984	86409.19531	22621.90625	101807.8203	97392.3125	23145.05273	100961.0391	124045.3125	20817.32227	111046.0078	126864.9688	22958.02734	112137.0469	114690.2813	19599.57227	103816.8047	135194.375	23268.66016
L-Alanine	39496.25781	36162.32813	69374.84375	184481.7813	155584.2188	256921.0625	137162.5156	163819.4844	440724.2188	54902.92578	32249.82617	68778.23438	221932.6406	202579.8125	318178.4688	185537.625	209549.7188	258405.4063	90073.24219	145767.5156	93655.10156	143901.3594	108128.4688	78297.55469	160967.5469	32093.66406	71258.39844	40673.39063	69754.65625	51526.93359	306976.4375	166661.375	588262.0625	365416.2813	179654.125	950878.5625	92474.3125	113551.7188	114472.3047	137248.75	150240.9375	122926.1797	122985.6953	109533.6328	293380.25	140551	107337.75	93463.64063	48855.99609	25349.09766	304359.75	233282.875	161361.8125	308208.5313	48730.80859	27432.93945	87744.45313	335058.6875	299954.7813	560537.1875	84467.96875	124074.6094	403136	199196.2188	133243.8594	152707.3438	109618.6875	77982.14844	128106.3281	165068.7656	229005.1875	261751.9375	334859.7188	117368.4688	548132.875	343325.7188	122210.4141	759366.9375	176030.5469	117691.5391	681470.25	51223.78125	28178.61523	65552.22656	128655.1953	119155.8438	124472.2031	112700.4297	189854.4531	93907.73438	166743.4688	101535.9219	105744.25	149051.7969	112350.8438	114945.125
L-beta-aspartyl-L-leucine	65826.64844	101370.5156	64113.92969	74707.875	88003.44531	70611.53906	93857.52344	73982.17188	83462.07813	77430.39844	91866.70313	78140.51563	44254.83203	59317.52734	148877.25	158054.7031	114217.4531	199758.25	96755.91406	121624.4219	172568.625	106380.1016	143116.3438	192956.1719	73030.24219	83022.79688	57352.62891	95944.21094	114110.4688	90679.82813	112555.0078	112363.875	87620.79688	109423.9063	135572.9844	108085.3438	62376.22266	66462.875	78756.44531	112785.3203	140610.3438	164520.1875	102092.625	140537.9375	158741.3125	139601.5781	157531.1563	162976.125	84567.5625	97538.78125	53812.01563	81888.92188	102159.6563	81262.38281	99192.13281	98252.67188	70939.85938	88378.21875	87406.64844	53181.23047	47370.08203	72141.88281	204945.0156	91160.625	110608.4922	235529.4063	100105.2656	134215.8906	184579.8438	101434.625	174687.3594	264975.125	74567.79688	110549.3359	86249.94531	101284.3984	120205.0469	66796.79688	96818.35938	84906.20313	52224.16406	73528.375	132670.8281	75698.35938	62074.55859	64001.96094	96942.53125	84503.05469	119164.9844	167323.9375	136891.8125	160155.8594	198927.0938	140103	147658.1875	194369.0156
L-Carnitine	133139.4063	132558.5938	556110.75	138550.0313	167200.0469	506449.4688	195639.9531	159571.7188	567236.25	145903.0156	134731.4063	498672.4375	206072.1719	197399.7344	535013.9375	260847.3906	267290.1875	598536.75	141163.0781	321992.125	633899.25	197971.1563	220136.9063	641271.75	127938.0859	112932.5469	600605.1875	185789.2188	146614.3594	557040.75	154230.6406	159030.2344	564028.8125	169771.7031	195772.2344	610647.3125	173268.6719	248833.1719	530414.5625	212145.3594	255216.6719	611047.9375	190963.0313	211239.3125	894956.9375	228932.1563	301441.25	632601.375	156903.5	178968.4688	579024.25	182640.9219	128892.375	454533.1875	145786.6406	144590.375	483819.7813	168021.0469	169550.0156	475179.0938	199096.9063	360357.5938	1078793.625	183288.9219	311190.1563	601027.0625	171797.9375	260191.0781	548167.25	168841.375	214075.1719	581086.8125	120822.7344	130666.5938	539819.5625	166129.375	158102.9063	781885.0625	165972.9688	152638.3594	448734.7188	150648.1094	138147.9063	539617.0625	186922.1406	245632.6563	723760.1875	198079.0469	268145.125	597465.5	221879.0781	242243.375	594442.0625	246409.3281	210906.9375	594206.25
L-Cystine	249352.8594	246117	14134.63281	155146.0313	129577.6484	270519.875	221016.8125	114068.8359	114164.2656	351725.9688	78975.82031	113207.4609	106599.8125	96122.69531	19455.11328	109495.9453	30262.24609	135081.0781	81369.17188	43692.54688	43146.35547	74622.64844	88097.5625	49696.65625	110528.8984	368646.2813	96005.07031	103239.0781	97299.28125	108274.8047	116985.5938	92805.25	59414.01953	289223.6875	129649.0234	116923.8125	151012.9375	63212.23047	123210.5234	61986.72266	32777.78516	58077.44141	98750.05469	5618.573242	98179.71094	67578.82813	12836.85645	67735.90625	156044.25	171862.6563	86769.57813	125881.2813	242464.6094	220654.375	273098.5	96685.60156	61741.36328	116721.25	113632.5469	140840.0781	124919.2188	60573.75	14588.82227	97492.15625	44977.97266	187425.7813	99192.86719	19459	24029.57422	95956.42969	27204.60938	90022.63281	229666.875	191994.0625	141403.5938	257650.8906	97453.82031	134157.25	160714.7969	100123.2969	131098.2344	124714.5547	171534.6875	82847.33594	174891.7031	84288.28125	47556.10547	76532.3125	32625.52734	73333.07031	87536.05469	28812.68945	113354.0156	74141.47656	21421.05273	87969.67188
Leu-Leu-Leu-Leu	131338.5313	130576.4688	123927.8125	135814.2969	132842.875	135248.7188	140209.4219	147238.2656	136359.7656	114409.4063	122163.7891	129827.375	97406.04688	117444.8594	141103.2188	118013.5469	142148.9844	137712.9844	111603.8516	129664.9688	135339.1563	116412.7813	128735.6484	137949.6406	105640.1328	113805.9688	132792.7969	111329.7188	113386.4297	157051.8906	96802.15625	125962.875	147181.3594	126327.0625	148071.3125	140127.7188	126491.25	126304.1797	135740.4375	116807.0313	125135.4297	130475.3828	133206.1406	129108.8828	154588.4688	118082.9453	152837.4688	123070.8125	126042.9766	131864.2344	138079.2031	99589.75781	115521.375	156791.9531	115735.9844	114770.4375	117155.7813	104913.9766	121034.2969	128064.0938	132558.7656	126652.2969	145054.7656	99812.98438	135566.7188	138214.3594	97683.94531	146883.7031	136385.2656	95924.65625	138445.6875	132414.0781	119737.4141	135363.2188	139354.1875	107189.3125	124908.7344	146222.2031	133873.0781	133920.125	139664.5	99219.17188	120646.625	153677.3438	108209.5781	108254.4922	131514.375	127073.8984	133938.3438	158998.5313	120798.8359	123534.375	147310.4219	126049.0781	120302.8984	137712.2188
L-gamma-glutamyl-L-isoleucine	151738.625	158742.2969	188115.5469	151795.25	191431.1563	126211.9922	149605.5938	157542.4375	132638.5938	127420.6719	164176.3281	108831.1797	52021.92188	95262.10156	146766.7813	133231.8438	173166.8594	206454.1406	167133.4219	197648.2031	279485.4375	207877.375	192024.7656	296095.125	119510.3359	171837.375	155728.3125	177720.7656	219824.4375	145882.7656	190938.6406	201376.4375	150277.6875	184126.8125	275067.375	87717.00781	41350.17188	55454.16406	89149.07031	147647.9219	138596.5156	215292.1094	152562.4688	193920.2031	224019.6406	191468.2813	227509.3281	227097.4375	147630.5625	183750.125	163643.6719	164964.4688	214886.7969	116728.5234	140994.8438	167208.5469	107437.0781	135043.5469	145465.3594	113219.0078	49026.63281	71714.52344	206118.2188	53477.06641	154944.6406	123249.1953	159553.5469	179712.1875	230500.7813	158940.2031	252318.0781	257812.5938	150892.5	161574.4375	136725.8281	205496.3438	186605.3906	147275.25	174091.75	207134.4063	102234.8516	154439.2344	172226.7031	119407.3047	51910.54688	90338.875	102195.5313	147115.0781	143105.3281	277566.2813	158768.9219	188605.9688	271333.9375	197392.9063	262754.75	254711.0625
L-Histidine	75050.98438	92827.50781	154728.625	1728534.5	1131738.375	2806809.75	1426219	97595.20313	155408.8281	2702627.25	90539.32031	107126.0781	559357.5	1902814.875	2762308.25	84509.71875	108982.1328	2575569	97717.34375	3003272.25	137169.875	135570.4063	110045.9219	115461.9844	70645.53906	75700	86971.42969	87262.78906	112613.0313	108386.3203	1314884.75	118151.1094	105801.1016	121811.125	78233.98438	3229888.25	102860.4688	98171.67188	83788.57031	3125959.5	94338.15625	130412.1719	97436.26563	131877.0938	4323575	3304217	119650.4219	105924.2813	1741668.5	2431452.25	2676273	71052.75781	73279.40625	98078.71094	98746.61719	1376922.375	99147.51563	97351.14844	79156.59375	112894.6797	108524.25	139934.125	5894832	88375.14844	2356382	78489.85156	73174.25781	112816.75	128177.1406	1713095.25	2375882	4171447	67027.25	135536.75	97303.36719	84541.84375	118612.5469	112103.2188	2648158	1339363.375	3545232.25	1033460.938	91831.89063	131341.2969	121421.5234	84229.125	101195.0859	1397414.25	1783119	2585061.5	132429.6875	101890.0703	86809.08594	86660.625	118346.1406	108148.4141
L-Homocitrulline	42902.64844	0	41326.5	19604.89844	18179.45508	52688.21875	21855.37109	21508.83789	57631.41016	16056.78613	20370.90625	52906.78125	69115.42188	76452.72656	147258.0938	72873.35938	62763.12109	69370.03906	61218.14453	63723.55469	92452.03906	84791.42188	66831.69531	61426.21094	25171.10547	24379.75195	54359.32422	22722.31836	17064.03125	61427.14844	26546.58984	18487.45508	46890.12891	15026.90137	11713.34375	57693.46875	60959.75781	53726.66016	71157.67188	59317.09766	71981.96094	135437.8438	56581.72656	68304.1875	72442.70313	73679.58594	52325.26953	66750.44531	38103.03125	0	44650.69531	20304.01758	11748.21582	56363.83594	30020.06836	7925.988281	47864.26172	39132.23828	9544.822266	47940.79297	72260.63281	65847.70313	198148.625	46568.28125	64521.69141	86156.72656	44920.75	63444.85547	92261.90625	56606.97656	76387.96875	68490.57031	27934.07422	13862.57715	46472.91406	19753.35742	11390.68262	85091.88281	12687.29004	0	38105.21484	31547.63281	0	40737.21094	62479.86328	56018.25781	82102.75	60020.34375	58994.93359	65557.82031	59967.21484	80151.99219	69389.97656	62504.40234	38881.6875	66933.29688
L-isoleucyl-L-proline	66466.20313	55780.11328	105188.5625	75057.58594	54966.92578	69888.84375	72791.27344	65608.84375	103723.8438	66912.10938	59491.61328	93361.5625	62860.92969	72195.46875	90235.07813	69162.00781	105256.9141	100403.7188	61028.03906	81787.125	88601.01563	68653.35156	98824.42188	90935.33594	54872.40625	56239.56641	94479.46875	52499.47266	63118.71875	73037.8125	66776.45313	55140.17578	90879.73438	88613.0625	67931.19531	90525.11719	66729.39844	93709.40625	87986.19531	69697.17188	85581.19531	94130.35156	72019.58594	75680.23438	100793.8438	86151.36719	90354.16406	82335.63281	71517.32813	57129.46484	95931.21094	46430.34375	60225.88672	89640.5	64764.01953	72612.38281	100463.6719	72514.40625	59524.57031	104917.6563	62337.5	90492.65625	148051.875	65732.92969	84574.51563	88138.49219	60840.67969	109396.7031	88250.1875	78659.82031	94950.22656	103481.2344	58907.30859	52772.24219	80949.15625	65648.74219	63858.64063	106323.0156	63633.15234	62639.68359	91070.25	62690.33594	64496.49219	89521.95313	58398.21484	75956.39844	104900.7891	74496.97656	89137.5625	76876.39063	72519.28125	99397.21875	104906.875	71811.21875	93080.21875	88139.375
L-Methionine S-oxide	289307.3125	140610.4219	385583.625	281987.5938	180946.0313	253513.8281	222713	306380.75	360981.7188	380955.3438	199227.1563	246992.2188	346052.9063	309367.4063	223512.2656	367108	254855.1563	154227.8125	249209.1094	385721.375	255004.9219	305324.25	278850.0938	195831.6563	216885.5	259742.0313	253248.1563	216135.2031	193433.9688	179957.2344	260293.8906	173723.7344	248896.75	272305.3125	210193.9219	229987.1875	220314.4844	236836.9844	155039.3281	254562	233954.125	180999.6406	333842.0938	281560.3125	229501.3281	278675.5	243960.7344	258801.5469	228807.0313	148747.7031	312470.8125	223463.125	300355.5625	227040.2188	344715.5313	185081.3281	230239.0781	335025.8125	212120.5625	255489.7813	175091.7656	214620.8594	546034.125	274807.625	362357.0625	221860.3906	332285.5625	259400.7813	212183.1719	274318.4688	403430.8438	221186.1406	184697.4375	257672.1563	261296.7813	299367.6563	211923.2969	289492.75	293699.125	179133.25	375200.9063	280767.0938	180140.2031	323260.8438	201618.0313	233944.9375	183917.375	451225.0938	348242.7813	209563.3906	334318.5	365603.0938	253274	358427.4688	326143.125	263142.2188
Longifolonine	316254	500125.5313	367679.2188	483065	342664.1875	295036.5313	366769.9375	548117	568010.0625	356998.0313	303878.4375	368281.1875	283312.3125	696512.9375	323415.4063	388593.375	634463.375	362037.8438	404434.125	331326.2813	469651.5313	244103.5156	289670.4688	453211.9375	177459.0313	299312.5938	562014.375	237732.5156	364980.7188	406183.9063	367635.5313	384163.5	423983.3438	229925.2031	349286.7188	370667.9688	448126.0625	431697.625	332773.0625	402549.0313	554122.375	301233	407840.5625	447955.8125	470404.0313	486886.9063	484048.8125	482565.0938	450712.2813	277011.625	327993.2188	351544.9375	403601.75	390152.4375	405255.2188	369317.0313	350807.1563	371631.5313	290505.3125	495726.25	251297.9219	529270.3125	797067.5625	364349.0625	579531.75	345665.5313	553092.25	386827.9063	512600.25	417668.1875	477079.625	388267.5313	277839.3125	262312.0625	308803.5938	284620.8438	539989.625	281926	403274.1875	222216.1094	351094.3438	374823.0625	233276.4531	371645.125	212988.5781	444729.4375	345178.2813	408667.9688	718801.625	217629.2813	548318.625	545011.1875	536803.6875	517988.5625	434576	405616.4688
L-Phenylalanine	47896.95703	89376.17969	87616.6875	130471.6797	110998.7656	100900.4297	88468.92188	113571.9609	146290.1719	84480.75	83176.71875	146221.2656	89073.49219	145258.9844	91454.70313	119357.6484	133788.2656	66310.6875	59695.53516	67809.82813	112303.4844	121698.5391	113499.5469	83465.79688	74691.61719	129278.2578	110842.7031	89106.74219	104430.6406	85349.38281	93497.73438	93904.47656	129177.3828	78212.44531	95187.97656	109708.8594	91429.78125	105225.6016	100153.5703	99321.125	105734.5625	116796.75	121680.4219	117264.1797	132499.5625	85953.66406	80214.99219	80700.36719	114624.4219	76756.17969	106279.9375	91091.75	100401.9766	116064.25	95185.70313	81576.78125	163533.8906	161308.6563	83985.52344	124124.0234	67759.90625	100901.6641	151302.1875	90203.6875	87011.82813	92804.42969	86548.85156	118153.4844	89399.89844	101433.2734	83005.33594	109256.9453	80849.26563	84278.32031	92402.375	93836.82031	107945.0547	90657.3125	92473.44531	84203.03906	111907.0234	125122.8984	94012.26563	124202.7422	76266.94531	154143	109836.0938	102053.4844	138730.8281	63613.80078	95520.13281	128943.2813	130596.7734	104590.875	60037.73438	104254.0078
L-Pipecolate	1399002	398611.2188	681199.5	279503.2188	147827.6875	160907.5	189807.7344	109029.3516	151335.625	209705.2813	97350.79688	266647.2813	17261.39844	16542.76367	20136.81641	13340.79785	13293.75879	8594.470703	10408.42285	10549.59863	7651.459473	12388.09668	15929.22559	7099.990723	1177701	483194.125	599674	871586.5	487999	633399.5625	2560487.25	747062.5	1650613.875	3101489.5	1297860.75	2496855	13188.57324	20229.70703	19279.27734	17123.62109	10686.19434	8323.617188	13318.73828	7692.410645	12637.14648	11864.61133	13594.63281	8424.483398	1413907.75	418519.25	482779.0625	596939.6875	187300.1563	348910.625	1171512.5	175314.8281	284427.7813	2281516.5	319722.7813	346162.5	14457.89844	20815.20703	25936.05469	13623.2373	7783.148926	14971.25879	13251.2334	8181.503906	12626.12012	12205.42676	11022.35352	6976.700195	1045136.188	640937.5625	629617.5625	962167.3125	337904.6875	575002.375	1066841.125	484830.2188	418430	1803221	597036.6875	980586.4375	12983.09961	14559.02246	19161.26758	15817.51563	10042.97754	8080.104004	14377.55566	6526.175781	6967.480957	13520.7041	12974.82715	10336.87109
L-Tyrosine methyl ester	24193.96094	23676.51172	40371.00781	39753.31641	46802.12891	98181.97656	75337.60156	47510.41406	96486.78125	36053.22266	45135.51563	52906.03516	39223.58984	69991.46875	102915.875	82412.375	45981.47656	32825.81641	33132.94141	44814.58984	96539	40367.97656	42139.26563	82693.26563	37263.90234	48347.08984	37670.32031	31608.98828	45133.80469	83349.28125	36146.19922	57061.83594	72229.625	59717.31641	22875.46484	52293.30859	31871.27734	40679.0625	90225.75781	42013.49219	33456.01563	47451.3125	96527.71875	97423.10156	34292.23438	45213.17578	42519.70313	71749.26563	81948.07813	24996.01367	125507.3594	26892.98438	35910.75391	104038.4766	34533.875	25457.48438	71553.46875	36052.60156	27245.66797	31128.84961	28474.30664	41649.97656	85991.36719	29203.37305	61774.24219	44290.04688	24518.1582	80547.40625	55357.59375	28024.83984	66447.26563	51203.59766	34167.77344	30205.83984	53240.33984	75637.63281	53656.83984	54659.81641	40361.62109	40242.20313	52900.17578	54885.46094	30814.26367	116179.3281	19689.92188	108562.5	43421.49609	89884.60938	103312.0313	33051.98047	46857.24609	28325.17773	47060.15625	40103.39453	40050.10547	73690.57813
Luciduline	81690.70313	58757.30469	128256.9688	126422.8594	89788.42969	125371.7656	119652.5469	86882.65625	66875.5	147583.1094	133734.75	143094.3438	54956.66016	117696.0781	137351.8281	75329.75	61243.63672	61822.18359	74837.50781	129299.3516	63066.86328	101755.3438	68266.17969	74238.61719	97659.625	114080.0703	124055.0313	96649.73438	66528.63281	107287.3516	185870.6406	138976.6563	134420.7344	62214.01953	96983.92969	33437.46094	134502.6875	113429.4844	66554.61719	123159.8672	66039.13281	63857.97266	79513.98438	128115.9219	134533.9531	121895.6016	84023.44531	137618.6875	135601.7031	77745.32813	113068.2734	92208.96875	61871.51172	87763.05469	116819.4609	90864.97656	109209.7969	124467.5859	73174.5625	111807.5781	99634.60156	100040.3984	60207.88672	110843.0391	84056.32031	155297.6094	68579.99219	99847.86719	68085.85156	84061.4375	65957.64844	64204.63281	116468.1094	145693.6094	72062.07813	82010.46875	113213.1641	141917.0156	124418.2891	86879.38281	91422.375	87766.0625	109128.6406	113077.4375	114912.8984	69631.89844	154780.4844	70046.09375	133633.0625	73564.36719	110952.6719	83051.28906	58591.17969	128891.5234	121632.6172	87767.23438
L-Valine	274569.875	287811.8438	247702.3438	237622.1719	369327.75	250043.3125	276833.8125	280680.5938	316036.7813	250180.4844	222857.3125	348900.8125	258212.5625	337967.6875	269967.0313	292783	209566.6875	208214.1719	299372.875	328395.7813	362911.2813	417046.25	577140.375	289548.25	413007	208873.0156	289318.125	180323.7031	232649.0313	187333.3906	243235.5469	280171.9375	346156.8438	275423.1875	306105.625	269266.7188	265539.875	240969.8281	267258.25	225907.0313	211048.1875	283758.5313	423486.625	237974.0938	487415.6563	284186.8438	273504.2813	265953.5938	235008.4531	204401.5313	212558.0469	214766.375	310716.3438	233751.7344	316633.8438	228900.625	271385.1875	302491.5938	259136.3438	283645.7188	188722.3125	385285.1563	301443.875	249627.6406	313763.1563	370630.125	278925.5313	317422.5313	253054.875	226903.125	274237.1875	447983.2188	268343.3438	395405.0625	217435.1094	223753.125	208344.6094	292791.5	326984.8438	281936.75	301373.9063	144322.5469	215330.75	242060.8906	184769.7969	319961	365023.25	632135.9375	304943.2188	278538.8125	202480.3125	268658.5938	221307.7656	344006.9375	333541.4375	310714.0625
Lycoflexine	313303.7813	411644.5	387543.8125	274992.0625	412760.8125	439526.0938	310461.6875	293960.1875	451072.5313	429517.8125	296781.8438	429772.9063	249710.2656	272236.9063	451917.625	346452.9063	381635.25	340785.4375	354180.25	351829.5938	332301.0938	356789.1875	407648.9375	422041.125	231979.8594	362278.6875	532064.8125	236718.25	396935	484457.9688	239964.4063	341164.1875	422880.875	270844.4688	300783.7813	376312.875	230680.6094	262908.2188	448541.5625	347964.5625	373639.8125	400186.4063	323233.5	372884.0625	395028.875	358180.6875	315561.75	339419.375	333276.5	359180.9063	350130.9063	254253.2031	377004.25	332952.5625	262467.125	376124.5	318613.9063	339575.25	376177.75	444875.0625	225641.8438	379681.375	375209.5313	201506.1406	274581.375	466015.875	256961.2344	444168.3438	356663.0625	329576.5938	341148.8125	382722.25	416954.4375	394465.5313	335721.375	437518.75	368579.0625	411754.875	323015.5	429352.25	472282.7188	322203.8125	430054.4063	439437.1875	300754.1875	398006.6875	327182.2813	328458.5625	340532.125	445913.6875	516454.625	338627.5313	519324.25	317477.7813	458159.75	410249.5313
Lys-Asp	87686.23438	84863.27344	181596.6875	116163.7734	81799.42969	147978.5	104162.6484	84469.8125	173642.5938	85516.10938	82760.51563	168571.6406	89947.36719	139251.3438	166653.9219	115933.2109	117749.5781	139032.5313	103471.6328	154735.5781	174739.2969	117212.1953	147010.7031	169344.5	80492.9375	92566.33594	142305.625	98151.79688	88472.07031	134226.125	84875	78454.32813	146657.9844	114883.2188	105636.9219	158496.375	128764.8281	129193.1172	179787.0156	150250.75	152872.625	181898.8438	136316.3281	184692.3125	187792.75	141761.5313	175351.6406	156741.5469	102445.3438	91555.17188	142205.6719	89286.77344	91229.54688	159113.8438	102227.4375	106846.5078	192751.4219	105190.8125	91196	160284.8438	100392.0781	141922.7031	213712.375	125086.5156	162128.4219	152643.2656	113214.7813	134030.8281	168059.6094	112023.9219	119944.4531	163180.1719	97498.32813	79587.51563	147362.7969	92834.42188	78291.6875	180574.375	108854.3438	89071.70313	145476.0156	68830.91406	111501.4531	144807.3125	107063.9844	130630.4531	165696.1094	119515.5313	150313.7813	157988.9531	137330.5625	152102.1094	171471.3906	119292.5313	153370.7188	162863.7656
Lys-Asp-Gly	331580.7188	324280.7813	406548.2188	380691.4688	345790.7188	426638.4688	371568.5	332305.2188	468880	283763.5	232144.0469	424502	326633.625	437606.6563	510022.3438	389220.5625	386381.6563	428328.6563	334070.0313	465972.0938	448007.4063	472861.7813	433991.6563	422254.625	286698.8438	254397.9219	374616.8125	381427.875	266734.8125	448268.0313	315709.625	317156.4375	431051.3125	462481.875	327281.2813	445890.25	401736.0625	394909.1875	363848.75	486457.4063	383080.9688	467138.25	424279.3438	389273.8438	501695.4375	474959.6563	426071.3125	460015.5313	341807.2813	264498.875	461432.2813	284933.0625	282803.75	411022	318411.8125	353624.0313	494869.5313	376951.1875	300451.625	459497.8125	339376.625	525091.3125	749103.25	350783.5313	440820.7813	382669.0313	352478.7188	508846.75	472103.0313	392298.375	451029.7188	399118.8125	273835.4688	264079.1875	452542.3125	293864.0625	321282.7188	419141.125	355003.4375	308078.0313	430193.1563	288705.0938	318086.2188	458596.875	358453.8125	398952.4688	436669.3125	485928.0938	403221.4375	421373.4375	402666.5625	520654.3438	558006.5625	467045.625	502668.3438	482694.9688
Lys-Gly	68990.84375	46458.61719	32373.70313	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51478.45703	42270.25391	30813.46094	74977.25781	43055.48047	48968.88281	87405.57813	70328.05469	56258.82031	121245.8438	65371.85156	71214.85156	0	0	0	0	0	0	0	0	0	0	0	0	75560.79688	47414.1875	37041.64453	38948.72266	12570.03223	14013.7959	44307.67188	5198.283203	5028.171387	31984.84766	3926.445801	3881.029785	0	0	0	0	0	0	0	0	0	0	0	0	65250.19531	38772.46875	37013.28516	66656.90625	30494.82617	23924.37109	51927.87109	14532.56641	14729.36914	50134.73047	10015.66797	9866.764648	0	0	0	0	0	0	0	0	0	0	0	0
LysoPC(18:1)	164777.5	272096.375	455937.6563	121309.7734	75365.21875	178402.0781	48614.20703	186360.375	214719.0313	0	45140.56641	0	141247.5313	235336.5938	417107.7188	268554.5938	399565.2813	307494.375	220588.7969	274839.7813	383961.5313	198482.1719	206170.9063	233920.625	150535.2031	289240.75	412537.8125	47742.45313	61116.4375	120989.7422	45098.69922	146706.1563	110124.0781	99914.11719	0	0	248706.3281	464876.6875	371530.7813	289395.5625	327404.6875	347283.8438	184785.0625	336089.375	267232.3125	287133.25	620069.8125	234298.9531	233975.9063	184481.4375	215013.25	26417.47656	107449.3594	215423.1719	0	99125.32813	64652.625	0	0	0	156573.8438	346442.3125	399614.9688	202694.4219	370943.8125	297963.0625	206625.4375	560611.375	410810.9375	351431.3125	332533.2813	252121.9688	277962.9688	223783.7656	271182.1875	108874.3438	112454.8438	178539.3125	75669.83594	0	0	0	0	127076.0078	138190.4844	279703.3438	316129.8125	270309.9063	583308.1875	338033.7188	345627.4063	326477.875	456844.8125	248475.4219	330507.1563	233561.7656
LysoPC(20:0)	52140.37891	56906.83984	86341.78125	59337.16016	67640.65625	51702.125	39956.625	63794.94922	37222.12109	0	24784.55859	56910.6875	54010.8125	76653.92188	61869.00391	54484.04297	101873.2266	75014.90625	73143.83594	96182.39844	105776.5	92138.98438	111872.2188	65887.39844	37015.99609	70385.73438	73850.78125	47633.14063	78024.32031	59269.58594	0	27470.90625	38788.83984	0	0	0	117831.2813	164550.4375	70747.96094	96206.44531	98598.39063	76649.75781	72797.85938	132069.4063	96782.375	96909.875	115291.8047	98396.00781	74521.72656	62681.26563	92489.74219	45804.20313	52593.31641	95800.39844	18942.09961	46334.13672	64550.84375	0	43329.67969	0	42651.83594	89145.54688	124599.8125	60725.78906	117700.8359	95014.19531	54791.55078	196316.625	57251.34375	52700.21875	94900.83594	106624.2422	85409.89063	59463.44141	92694.75781	35840.83203	56763.09766	87548.1875	15942.07129	74396.875	32020.33984	0	0	0	55883.50391	125363.4609	74185.85156	103296.4375	94697.20313	95886.48438	95393.97656	70766.85938	68800.67188	96207.80469	100341.6719	85487.46875
LysoPC(O-16:1)	127254.0938	192759.1719	196132.2344	218536.5156	143235	204806.6563	220005.6719	146133.5469	210535.8125	125029.4063	160615.5625	229352.2969	153741.75	213410.8438	183297.0781	200214.6563	273905.4375	274291.9688	203723.2969	286937.9688	199314.8906	196879.0781	197790.2813	227246.4219	154242.1875	136967.3906	213152.6875	111746.0078	138123.7344	153617.2031	111552.1406	198502.2656	219724.2969	123811.7734	150691.8906	168796.7813	211859.5938	368556.8438	203672.6094	249695.9688	236684.9844	253899.3594	178693.7344	376992.75	270510.8438	222834.8281	240238.9375	231772.6563	167208.4375	170326.125	209525.875	124309.8359	169135.75	196871.1875	175146.3594	182703.5469	238085.625	163230.0625	144761.75	180059.5156	122513.5547	231363.125	307709.8438	124279.3438	276259.6875	229177.1563	79891.49219	205083.0938	246273.0313	120790.9297	203550.75	214751.625	190726.4531	169147.9375	225152.7188	164352.2656	170837.2031	210981.1563	173502	129807.4219	186182.4219	100991.6328	160974.4063	220546.7344	182538.625	218963.7969	170882.5938	198549.0625	218716.25	171546.2813	201685.6094	217414.6719	167984.6563	193731.3594	202388.125	223434.2656
LysoPC(O-18:2)	70882.125	93526.30469	103277.3672	97763.42969	77833.29688	117554.9375	141326.25	84084.8125	96081.03906	97886.07813	117901.6406	140384.8438	64471.96875	126316.4219	100110.3047	86001.9375	139983.1563	92454.53125	96009.89844	152140.4688	121917.9688	114398.9844	145227.25	104221.6172	70577.60938	70995.50781	93421.34375	85317.71875	91366.67188	126876.6953	52287.17969	80661.14844	109994.7344	117113.0703	78528.40625	96361.74219	95130.45313	120460.625	126910.5469	83940.65625	116513.7656	134821.3125	90225.25781	184995.0781	109424.7734	90584.44531	111048.2109	109706.0234	94539.46094	104449.2813	91304.42188	73329.125	68614.39844	108179.4844	124974.5	115239.3594	91002.60938	84481.78906	98729.82031	102272.2188	75170.08594	111818.1875	146465.1563	66441.5625	140441.0313	111125.0391	60794.55469	95517.17188	122554.0859	65768.72656	126007.0938	131364.5781	106520.7734	85706.07813	114079.0625	77952.26563	102393.6094	140590	89172.875	93429.65625	85780.75	55981.57422	116458.5625	103159.7813	90394.11719	105492.3047	119595.8906	97737.40625	123082.7969	78623.42188	109144.3906	115997.2344	85684.92188	103117.7891	142801.6406	109006.4219
LysoPE(18:0)	146582.25	284696.4063	375140.9063	161158	127316.7969	159655.2031	86061.21094	153768.1875	172334.4219	56638.4375	70275.88281	92168.19531	183389.6719	342243.9688	332963.9688	242702.75	309864.2813	260308.5	191388.2188	239584.3281	262581.125	301572.75	276841.2188	279767.1563	111973.6563	200649.3125	215937.9688	71861.14844	136330.0313	141431.75	43762.14063	130210.3281	139241.9219	83319.14844	83870.6875	54698.40234	251385.0469	315944.9375	315262.6875	187185.5	389246.7813	313347.5625	268550.8125	420973.6875	260951.6563	230192.3906	328912.8125	202513.2031	207580.4063	153923.8594	250101.625	83290.4375	143913.5313	155125.2344	72407.34375	111711.7578	142284.4063	54572.08594	93781.34375	76187.21094	191407.5781	292737.875	411899.3125	176462.7031	300051.0938	267217.4063	185396.1719	270801.125	232883.0625	175860.6563	268051.25	227773.3906	190615.2031	201785.2344	192663.7813	149709.2969	152255.9219	182351.4531	82625.69531	137726.4844	98854.35156	22880.06445	92415.76563	99159.23438	212014.0625	338935.1875	179299.5156	270482.8125	264999.2188	232496.6719	318663.4688	236783.375	233380.5625	228849.1563	301468.5938	271861.7813
LysoPE(18:1)	91192.78125	113611.6094	491032.2813	117653.0781	119051.9141	125728.125	136224.7188	133625.5938	244851.8906	79387.47656	134610.25	151324.4375	66197.52344	119555.5234	419215.7813	106197.7344	348541.1563	205597.1719	177137.5156	268513.6563	269915.8438	130357.3047	134198.125	226148.4375	54874.18359	104803.4766	164545.2344	91796.1875	122455.5859	176126.9688	94540.95313	289170	289969.0938	276146.125	180966.5156	161452.9219	137561.0469	215724.2031	116588.5	191541.4063	218443.5625	461281.2188	121419.3906	834042.25	152304.9688	142682.0156	289655.9063	203671.3594	121631.0391	128422.5156	299734.3125	88898.30469	78784.24219	165950.9531	97644.91406	141173.5625	272793.3438	93937.36719	129631.8125	116701.8047	72571.41406	294237.0938	804138	65892.78906	221034.7188	103242.9063	57303.79688	404721.6875	230065.8125	50852.5625	259694.1875	175799.7656	101937	215162.8594	226851.0781	122078.9766	196451.2969	255006.2344	139403.5625	111555.2813	158586.375	52892.69531	145238.0938	245998.7969	103909.2656	205760.7969	143694.8281	175971.2344	272662.1875	154491.4844	187053.2344	183320.4531	120115.8203	120073.4219	319759.6563	92528.11719
LysoPE(18:2)	38708.97266	60720.52344	161250.2344	51288.86719	52947	47591.21875	79007.8125	58206.91016	60159.89844	52211.46484	72508.63281	49915.96484	36388.36328	76128.59375	101563.2813	47792.21484	145042.2031	59985.42188	68221.625	102227.4375	81169.48438	44994.91406	64705.09766	62854.24219	24111.76367	68964.67188	45244.89063	36533.98828	53431.24609	46094.03906	35386.60547	181437.75	94054.55469	123473.3672	77427.28906	61093.07422	48508.63281	126933.2969	32933.89453	75775.98438	110520.6172	97054.95313	52626.99609	341401.6875	32246.22852	81192.07813	165402.2188	46817.51953	58218.95703	58700.78125	92802.60156	35849.96484	24557.15039	53152.77734	38432.63281	82725.89844	67710.90625	48756.39844	55164.46875	37277.51953	29914.6543	114236.9375	199942.4063	27698.01367	111165.5859	0	37008.37109	188194.8594	69733.39063	41490.55469	144743.1875	48407.59766	45662.66797	131392.0781	65390.41406	40265.37891	129840.2031	80105.75781	56852.09766	57125.64453	43052.07813	15912.61328	79412.9375	68814.75781	44980.29297	87326.29688	56021.22266	74582.25781	129288.9063	39703.69531	100329.5469	97017.42188	21895.78516	64126.45313	160222	0
LysoPE(20:0)	326185.875	399419.5625	461921.4375	229432.1875	279767.9063	283022.7813	110602.4141	154206.1875	146502.1563	43625.93359	95703.875	88084.50781	428619.4063	556967.75	522668.7188	415952.0313	745758.5	477627.5938	416854.75	603877.9375	697690.4375	469799.1563	485206.2188	431638.1563	272416.0313	357642.8125	392003.375	168012	233303.1563	244543.5469	58507.79297	161428.8438	150887.9531	0	58248.52344	0	575599.75	821768.4375	345567.3438	542391	598258.5625	626355.9375	495350.8125	857823.5625	589177	580425.375	516370.8438	527038.875	347318.5625	438805.2188	389741.1563	122581.8906	248853.1875	237242.1094	73989.01563	172006.6563	134435.0156	13885.81055	76261.89063	58916.22266	355750.1875	556776.625	832074.1875	370794.375	708042.25	492900.9688	213485.8281	476293.9688	401175.4688	304334.7188	513138.9688	560444.6875	443519.6563	328345.4688	393711.25	188790.2656	247992.3438	271581.0625	67151.53906	154339.4219	127120.2266	0	83266.46875	55984.46875	520550.625	515714.4063	488223.9063	552918.3125	544273.8125	441287.3438	537040.125	462731.125	490014.6563	588814.3125	656776.8125	521446.4375
LysoPE(20:4)	68228.0625	83226.23438	484501.375	95451.26563	94869.32031	113835.0703	93420.05469	127821.6719	206348.5938	95318.05469	120478.3438	165623.0469	74144.25	141109.5313	488237.6563	86879.17969	399142.9063	218963.1563	252429.4688	236402	318666.75	119327.2969	157652.5156	208392.0156	44516.83203	112084.3438	128149.0547	67465.24219	119602.3984	143406.25	64886.08594	226220.2344	228102.2344	144138.2969	112222.4688	136943.6719	147453.6719	165950.7344	147769.2813	156430.7969	215075.1875	424191.8438	118770.7969	664500.5625	166062.75	208940.7969	266045.4375	178004.3906	110426.5469	111078.4219	273316.1875	70446.98438	69004.03906	144065.5625	101275.7656	130757.7656	245653.2344	82648.85156	83770.53906	129284.5391	73484.53125	229391.5625	836044.25	87013.03906	223166.5781	129511.1406	93994.61719	353802.1563	279093.5938	83588.95313	261652.1094	212068.4688	98715.66406	180469.7656	196718.6094	102503.7891	180793.6875	204878.3594	107627.1484	99800.30469	156047.5156	55409.6875	141327.1563	187364.4844	86873.28906	214922.2969	161491.0156	184910.7344	279939.875	161732.0625	191310.0469	235190.7031	133315.3906	143559.7656	300195.5	111344.1406
LysoPE(22:6)	0	18888.85742	173670.8281	0	42503.40234	57766.91406	42117.28906	0	78871.4375	0	0	80728.28906	20882.91016	63431.88672	137578.7969	19122.5625	72711.4375	83514.875	62745.54688	29749.91211	106052.5313	0	54390.16797	92974.74219	0	0	55954.07813	16226.65332	19691.16016	52836.89453	26263.06445	64941.90234	90217.39063	29526.68555	0	48998.98828	44666.96875	49532.07813	118969.7422	41190.31641	54711.00781	140123.7188	0	142456.75	81226.01563	76250	94988.5	68163.84375	0	0	85110.69531	0	0	23860.43945	20400.56055	43166.41406	97284.52344	16945.74219	21876.37695	50352.54297	17436.67578	82698.11719	290389.2813	14235.46094	30543.68945	56845.16406	26499.58008	124321.3672	99658.89844	32698.99414	70424.97656	100212.1875	0	59142.62109	101431.2188	15629.89063	44694.0625	70341.10938	0	22656.51172	76766.30469	0	27094.26953	79625.98438	28519.95508	0	58602.56641	26339.75586	71132.92969	90821.52344	58180.64453	56095.26563	41486.99219	19614.78906	89911.55469	27266.53125
LysoPE(24:1)	504590.1563	320977.2813	296812.625	578519.4375	495800.4688	283851.6563	550592.5625	495587.8125	258179.5469	470309.4688	469971.125	282472.6563	437260.1875	297553	314896.3438	432924.875	275314.0313	330118.1563	717589.6875	392157.4063	248578.9688	578279.9375	384923.0313	185938.5938	546508.875	435690.6563	250021.2031	393787.5938	423008.0313	236341.1875	561385.4375	325518.1875	206867.1719	433563.4688	247850.0469	332297.875	400169.625	405643.25	333705.5938	426952.7813	383179.2188	308132.9375	487777.5625	367682.9063	319404.8438	507850.6875	426931.3125	285496.8438	468331.6563	384587.0938	417392.5938	555112.375	366956.6875	303886.4063	588612.6875	275859.625	178425.9219	413233.8125	458255.5	208460.4531	421020.9688	300494.4375	350513.375	359112.4063	384730.4688	354465.1563	381227.4375	302029.2188	232392.0156	322378.8125	399151.9063	237481.1875	410680.1875	324637.4688	345937.9688	626945.75	405901.1563	210674.9688	586851.8125	443642.1875	214815.5156	438895.25	419626.1563	280153.2813	507608.8438	330393.4688	359799.2813	562906.3125	351832.8125	195903.2813	439626.0938	311115.5938	233437.4219	582427.125	360992.0625	309074.9375
Lys-Pro	128977.2188	136021.125	53832.60938	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	91000.875	63720.89063	67136.58594	135463.6719	84565.49219	92558.76563	198284.6406	99357.25781	128217.0469	274945.625	149187.7813	185616.6875	0	0	0	0	0	0	0	0	0	0	0	0	106773.9453	93348.49219	55585.11719	51970.68359	16742.93164	26208.0625	50552.45313	13735.91309	28412.76367	57060.51563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	108706.1484	70140.92188	69659.95313	88558	33719.02734	36400.22656	63515.23438	32848.76563	12968.32617	83443.75	25944.39258	0	0	0	0	0	0	0	0	0	0	0	0	0
Lys-Thr-Ser	119216.4688	128623.6719	58803.73438	148284.4531	112977.9688	56756.38281	158358.3125	118402.375	71015.10156	146877.2656	129752.875	61430.46484	122822	201841.0781	56576.66406	174573.6563	153645.5938	47395.79297	136689.0938	160709.7344	48860.85547	148961.8125	157495.4375	49864.65625	104578.6328	111645.625	61253.85156	120101.7188	118638.8359	55683.68359	121179.3594	104747.4297	63706.32422	152039.4531	117457.1172	73974.61719	174423.6719	156281.8281	55331.93359	150600.9375	148507.1875	54328.05859	183817.3594	170214.5313	56446.30469	164171.7813	172561.5	48748.71484	146148.3281	110637.5781	66116.47656	114792.1484	100795.7031	76279.64063	120347.8203	128477.5859	61841.07031	164403.3906	131583.625	58359.91406	154218.0938	158458.6406	91126.82031	120081.9375	149869.75	53697.65234	156476.1563	136947.2031	46692.49219	142609.3906	185936.625	47845.51563	143126.5156	109626.7031	59971.06641	132605.375	114457.9453	72459.63281	132691.0313	112123.4531	63906.53906	115047.4219	133033.7656	71153.33594	130762.3359	201126.5	49078.52344	157103.9844	170282.7656	54866.38281	146251.4688	164684.6563	49801.31641	153343.8906	160752	55941.85156
Lys-Thr-Thr	59701.25391	61642.80469	52366.04297	82047.78906	60225.30859	50972.76563	67014.07813	48479.52344	47385.40625	82769.07031	57764.80859	63819.17969	50692.10156	75768	59652.45703	62313.44141	69973.40625	55491.41016	59575.1875	78093.82031	49551.66016	63385.75	82720.14844	52719.92969	49333.21094	63135.70313	50382.24219	61369.50391	53758.74609	59079.09375	63193.34766	61477.07813	53830.28516	71906.875	51507.92188	55889.80078	75162.85156	69165	46879.5	60760.89063	67187.07031	56402.32031	86014.25781	80893.96094	53559.14063	106379.9531	76363.17969	51299.27344	71586.46094	52115.68359	53304.44531	63706.20703	55557.05078	47274.00391	83476.10156	67418.92969	53359.41797	87131.32031	59599.75781	44018.44531	47806.70703	83393.92188	83846.51563	67924.625	79983.29688	71688.42188	56709.07031	82848.84375	45813.02734	56568.65234	72713.38281	49478.5	70264.65625	43838.36328	52917.53125	62288.62891	57340.26172	52550.42969	64518.16016	46353.83203	49318.91016	77422.9375	59822.16797	48550.03125	65340.68359	67637.66406	48727.74219	73147.63281	92225.01563	70010.47656	74458.6875	73501.52344	53614.625	75699.15625	70701.21875	56914.38672
Lys-Val	81373.05469	59009.87109	28938.5625	6496.788086	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	96600.75	53916.87891	47583.99609	119567.8438	77449.4375	86554.5	153314.2344	106771.9531	73284.39844	190331.125	116018.2813	101174.2734	0	0	0	0	0	0	0	0	0	0	0	0	110551.5078	48106.89063	32731.16211	60377.72266	13901.14746	17667.34766	46637.27344	15305.33594	12871.73926	35526.52344	7990.040527	11736.21582	0	0	0	0	0	0	0	0	0	0	0	0	102016.9844	57714.98047	30402.12695	84077.78906	32916.04688	38739.10938	52497.76563	35982.85547	19707.62695	34351.12891	23565.16016	14440.81055	0	0	0	0	0	0	0	0	0	0	0	0
Magnoshinin	68998.53906	45264.47656	87929.29688	42403.00391	33904.25	78540.47656	32927.91016	50564.49609	86039.61719	45653.77734	39137.19531	84193.72656	102894.7813	95591.6875	63027.31641	51041.01563	97933.82031	99609.30469	83819.10156	108123.9609	110559.2891	92756.05469	80523	129587.3828	58368.47266	32592.3418	65387.15625	55701.32031	64777.83203	67922.50781	88074.24219	78456.14844	90507.92188	49146.66016	78055.85156	114393.2344	33657.96094	108972.8906	62819.12891	48323.50781	94582.53125	81273.99219	86077.03125	86210.08594	71635.96094	45410.61719	71962.23438	95539.92969	41181.37891	57333.01953	81557.30469	52639.21484	30564.94922	82176.64844	69188.875	40925.56641	105798.3906	52697.71484	39692.54688	94623.35156	104873.9766	96431.78906	216374.1875	94300.46875	71804	84696.17969	111450.9766	85812.67969	95777.79688	99353.39844	98759.09375	94815.89844	46176.96875	58780.02734	83853.03125	58849.14453	26902.2207	87564.67188	66446.15625	54453.21875	71668.20313	69728.53906	28474.91602	82179.05469	101442.1016	76695.08594	80760.75	49932.79297	91952.71094	91841.70313	67532.41406	102855.3047	93702.76563	62633.83984	64160.09766	89898.83594
Melicopicine	71901.53906	65970.08594	55279.64453	61469.08203	90116.35938	65942.70313	72647	84062.40625	105521.3359	61580.70313	30470.37891	82548.375	56361.80469	131822.7031	64241.30859	100052.7031	107204.5781	63041.53125	42375.27734	47463.17188	72289.35938	45423.0625	104668.2891	88795.14063	35848.96094	72548.125	71881.91406	55366.16016	56933.82813	59066.46875	76061.96094	50364.04297	95959.44531	82883.15625	41036.11328	72295.03906	55368.25781	77100.71094	74509.72656	67913.49219	72579.9375	51657.07031	68336.89063	38058.96094	77731.9375	38284.57031	77274.16406	80034.09375	87920.23438	78571.0625	68221.74219	77046.32031	54565.34766	64256.35547	73269.47656	129489.3672	93754.60938	72700.54688	42447.625	96051.46875	40994.60938	92721.89063	95115.73438	59503.40625	133182.125	68396.20313	71365.16406	78233.30469	68211.82813	27967.86133	54116.37891	75286.14063	59234.26953	81038.14844	65001.52734	76702.95313	100444.1172	74757.09375	92733.91406	71921.25	122856.5078	50958.21875	38619.72266	97738.92969	34456.50391	96352.29688	64051.92969	58614.92578	85008.78125	36422.03125	73652.89063	63662.87109	79046.13281	45473.63281	91064.63281	59610.09375
Met-Ala	154044.0781	213821.2344	157949.2813	211949.875	163696.1094	253184.2656	262942.1563	175444.4688	209813.1875	206775.75	193288.5625	230655.0313	68464.67969	96115.55469	142943.625	133401.0156	121700.1719	133046.9688	145393.5781	123386.5391	102759.2891	106377.9609	142196.8125	88921.45313	166380.1875	264513.4375	180778.7031	196879.2656	166708.0781	181940.4375	187088.4375	173580.3906	179514.7969	233798.3281	182449.7188	167514.8906	103859.6484	127928.9219	100924.9609	87082.74219	102020.7578	102207.3125	104059.8516	113969.4219	104539.0547	157941.625	122261.1094	99632.38281	189240.0781	230135.2813	202818.4219	166751.3281	212633.4375	241409.8438	203011.0156	180941.9844	177256.25	208118.3438	189109.5781	201853.7188	118765.1328	165674.3125	152795.6406	99031.27344	86359.78125	159772.4219	122832.75	136872.625	102543.3203	101543.6563	138321.6719	136692.3281	203456.25	206343.9375	186815.0156	227672.4531	180790.7031	206768.1563	198372.2031	161986.7656	185704.2969	173132.25	275468.875	208882.8906	144400.25	120105.2891	57664.26563	96899.17969	103094.9922	91959.85156	139696.4531	111975.1094	111555.6797	88056.32813	142866.6563	110975.9375
Met-Asp-Ser	44448.73438	91488.35156	44980.54297	72918.52344	75330.66406	62203.54297	71070.875	65427.73438	59192.06641	53475.57813	105477.4141	68862.04688	55667.63672	40319.78516	59681.82422	89414.23438	83356.20313	44491.19531	97448.13281	113654.5391	62795.97266	112337.6875	142152.2031	78455.53906	68938.07813	65674.63281	74294.04688	65034.47656	58414.32031	88250.82813	79006.22656	54566.10156	64487.64844	82838.85156	68045.79688	78372.21875	45295.96484	69645.20313	42028.70313	113604.7422	70419.74219	37979.03516	95494.52344	116263.3672	83208.46094	118589.375	98797.89844	70298.02344	56243.28125	74580.53125	52497.66406	50344.0625	67932.86719	53026.87109	50893.07422	80990.50781	71731.84375	60959.88672	66004.36719	62367.90625	40642.17188	38759.82813	82048.14844	76697.61719	96376.42188	57857.84766	119992.6484	151256.4688	63118.21484	93830.57031	111122.9063	56032.99609	81279.04688	63309.91797	51301.60156	98739.07031	81207.17969	82799.71875	65521.03906	77970.52344	69328.74219	79066.17969	130258	90959.57031	73253.9375	32461.41992	38066.73828	97747.77344	87189.94531	49884.30469	116717.1875	110704.7031	79522.5625	113334.1094	113887.1953	84937.64844
Met-Met-Met	93744.5625	99799.19531	153106.1563	86354.88281	89071.5	155542	120407.2109	60273.74609	133366.9063	75946.99219	109298.0156	206479.9063	117813.7344	129154.9766	241369.5313	137422.4844	165443.5	196427.25	175309.9844	192521.3906	193391.5156	163657.2656	192993.4375	178360.2969	126071.2344	88920.125	169381.3594	122510.5313	73033.33594	232368.7031	101801.4219	99364.13281	163343.9531	154047.4375	188739.7813	203583.3281	150985.3125	171767.8594	163031.8438	188218.5	102371.4141	163159.0156	151981.5781	201819.375	175371.9063	155341.9375	297036.6875	224598.4688	73002.57813	92416.40625	192324.3281	89600.26563	63528.27734	179062.25	103068.2266	111793.8594	136494.0625	124718.0313	98591.40625	133804.1094	101972.8281	221494.0469	235635.7969	133828.3281	146942.3906	165703.0938	153846.8281	186491.5781	186848.1094	158443.9219	211829.5	227456.5938	114869.1484	72607.27344	186250.4063	88738.75781	96082.29688	170753.8594	111627.3203	118220.2344	125092.0313	102714.3672	203552.1563	167191.3906	158999.4219	138695.0156	146787.3281	142167.5	161118.5781	153129.9219	130535.5547	229255.9844	138492.7813	199995.125	203445.7969	192950.5938
Met-Ser	144174.7656	103283.0781	61916.64844	196084.75	76098.10938	138352.5938	110594.625	108225.7578	131831.8281	84523.5625	99334.16406	105464.9219	47501.67578	58168.48438	92875.71875	67776.14063	66533.69531	64816.20703	62361.87109	70492.60938	48235.06641	52478.26172	59632.23047	53938.57031	83726.32031	107237.7656	91536.5625	114617.5234	76533.96094	102049.1406	119934.5938	108392.875	171201.6406	137009.4063	80235.48438	107611.8828	57506.80859	87093.94531	46750.98438	29390.64258	59307.74219	36798.35938	36251.32031	52909.49219	42161.69531	62242.07422	39925.32422	48861.58984	94747.60156	108632.1719	86288.69531	86717.14844	121043.5313	82550.65625	134281.9844	85481.76563	75410.97656	98970.23438	87661.41406	113862.9844	52780.15625	93762.60156	65401.49609	63622.90625	21426.2207	93514.3125	55033.95313	51437.92188	35760.45703	48018.94531	73113.53906	54390.61719	141841.6875	105827.4688	84025.71875	183139.1719	87233.89063	91575.28906	132784.9219	93518.72656	86310.69531	112749.7578	121818.5547	85871.28125	89507.14844	54574.55469	29653.92383	57717.61328	63212.84375	43404.61328	45442.81641	52771.96484	43769.86328	67301.71094	70903.46875	47623.46484
Met-Thr-Asp	22750.24219	30282.32617	30774.10938	30144.82227	29124.41211	36742.32813	38694.84766	39331.125	57084.48047	40661.69922	60985.78125	75827.50781	83527.9375	85593.6875	79176.23438	59385.6875	60358.375	75660.73438	81775.89063	104061.4141	108995.5938	106491.4063	134884.6563	108869.1016	32924.51563	38798.06641	27666.64844	33654.00391	28694.30273	35771.90234	32108.46289	35617.44922	54228.60938	32299.00977	45660.66797	58740.21094	72307.41406	84980.02344	36868.125	72752.91406	68015.75	55430.42188	96850.08594	96833.28906	87546.6875	102673.6094	124129.1484	129409.2734	19697.05078	33560.43359	29227.93164	25326.09375	24405.10352	41367.67188	29955.45508	33570.78906	49129.39063	32960.55078	47870.57813	67684.77344	61688.00781	71492.1875	97327.71875	63414.53516	69452.21875	69291.10938	71462.64063	81387.46094	90351.55469	82290.8125	132394.9688	107103.1016	31128.75781	47065.06641	27345.0918	29566.54102	30555.44531	37241.26953	26552.60938	29439.66992	34881.49219	35149.74609	36818.875	75007.61719	78810.63281	71669.64844	46715.55859	66480.03125	70480.875	66114.36719	83455.34375	118563.2656	124524.1797	93984.71875	162941.9688	122311.0078
Montanin A	184294.0313	215006.3438	218867.8438	229062.0156	171295.0781	333559.3438	220011.6094	248268.5313	289370.125	186179.1094	228790.6875	228150.8281	190378.8906	182422.5469	335098.9375	236890.5938	202269.125	200090.3438	168438.9219	254150.7344	267102.4375	199342.9375	137802.4375	215920.5	148683.8906	196920.8438	285547.0313	186468.875	167004.5625	248875.6719	170995.9375	236857.625	249011.8594	234544.2344	217182.6719	269769.125	223738.9688	333802.4375	238981.5625	153043.2813	284994.4063	260904.3906	268952.5938	333309.625	257967.4531	195035.6719	368327.5	298388.0625	263011.9375	221867.2813	377902.75	145431.0781	244499.6875	196388.8281	229163.5	250874.5625	257433.0156	166688.8594	165981	210228.3594	147093.3438	247610.1563	192103.8594	132334.625	168386.7188	226160.5	145953.1563	263518.125	216124.0625	153532.75	271549.7813	248152.9375	269167.25	160078.7813	269879.9063	192223.9688	242970.5781	255373.3594	246780.8281	218061.1406	270609.625	197000.9531	201251.8125	280841.125	188489.7969	287319.3125	267065.5625	280834.9688	288393.5938	191778.0156	247582.2656	223193.8125	238658.3281	252297.5781	207161.9375	289893.6563
Myricoside	48895.84375	85760.0625	36150.625	85140.6875	82077.46094	37734.17969	69822.42969	111435.875	57270.38672	69419.30469	80166.4375	70833.45313	33987.88672	84505.27344	56784.71484	49966.30469	147543.4844	38764.05469	29758.53516	115611.8359	54147.75781	75353.90625	79281.76563	70132.77344	28153.66992	110139.5234	73621.58594	45569.78906	86149.64063	49498.17969	54800.20313	92309.9375	38180.80078	109449.5313	86376.21094	86027.38281	55257.41406	88552.28125	50715.65625	59168.01172	84338.9375	55824.72266	70729.96094	100740.0313	67378.03125	70927.26563	66586.0625	66812.22656	48473.47266	84050.4375	69194.375	53619.07813	68056.74219	57613.16406	98740.88281	107707.8672	51966.30859	60102.91797	75708.85156	55827.63281	30185.63086	70194.53906	107510.4453	39868.46484	88626.03906	47266.44922	53804.51172	131276.6875	42123.01563	69306.57813	77002.21094	56112.01172	59428.23828	76972.24219	48378.48438	57236.21484	116002.2266	57181.17188	78202.91406	108211.4063	36433.97266	52994.375	101414.4688	77666.47656	18446.11719	115368.8125	58518.32031	60871.21484	94287.96094	43497.28516	51826.78516	85753.14063	46015.38281	74231.38281	64228.85547	66756.70313
Myxalamid D	73515.3125	90135.36719	80053.375	72381.67188	88990.39844	82579.99219	70748.33594	81582.00781	122670.2656	117450.7109	94956.1875	99651.92969	44248.94531	77178.19531	152639.5313	69880.41406	96088.07813	77371.74219	66889.03906	87663.95313	104583.4688	76337.36719	99607.75	82161.03125	57407.72266	74485.97656	80325.88281	76850.60156	98351.71875	83062.57813	46127.08203	85421.76563	82308.23438	78125.22656	71056.52344	73016.61719	61929.47266	68586.53125	99694.20313	59831.49609	69049.1875	85177.14063	72208.13281	61251.44141	75775.20313	82995.78125	64397.97656	73155.15625	87174.71094	102371.8516	81217.64063	64154.44922	72950.27344	76938.14063	90533.69531	148153.7813	63219.23438	119120.1875	104005.5	96899.1875	64158.34375	97035.41406	104081.6094	41912.96875	96481.57031	69881.125	44786.15234	103219.3047	73423.375	57795.70703	70527	86999.01563	97242.1875	102409.5703	74940.52344	67721.39063	85272.69531	132731.4219	56383	80699.26563	96760.44531	51184.23438	96932.86719	77815.4375	96724.79688	116829.2656	95724.52344	79338.48438	84325.85938	93113.09375	117249.7344	112505.25	82653.97656	111009.0703	106322.5938	88775.38281
N-(L-Arginino)succinate	217105.6094	213571.2813	333333.0625	192538.6563	153312.0938	398003.4375	218238.7188	149192.3125	393266.8438	208035.2969	164915.3906	389306.8125	193763.0156	285557.0938	314051.2813	213887.25	199428.0313	275454.75	164399.7969	207072.8594	259452.9063	197205.8438	175365.5625	245033.875	234742.2656	229430.25	316917	231279.4688	167805.5625	483362.1563	172598.375	209228.6719	354366.875	311965.5938	220644.7344	342997.4375	233979.2188	275576.2813	334764.75	234501.625	249339.375	220623.7656	175686.9844	184760.5156	294607.6875	173985.9688	158413.625	225754.5313	252207.25	237389.6875	365011.8438	154360.3125	178056.1719	351735.875	256388.0156	182549.7656	359847.5938	204782.5156	194676.2656	297611.9688	230053.8438	271590.0625	615557.875	233314.75	194737.1094	279730.5938	125319.3984	189590.1719	226378.4531	128170.5938	220468.4688	183242.4531	257252.7188	193759.6719	274369.625	213087.875	176439.1406	469773.9688	183088.4375	197797.9219	319807.6875	199774.2656	188347.3438	370080	262281.75	255026.2656	287788.25	216784.125	209148.8906	221288.0156	212667.2031	180387.9844	228013.2656	166525.125	187783.9531	253430.3438
N(pi)-Methyl-L-histidine	43294.26563	0	310540.4063	41431.08984	5449.779297	188775.7969	28846.85352	6312.686035	109791.7031	23285.50586	3743.505615	97825.22656	184413.9844	221660.2031	252615.1406	161790.3125	114091.7578	123243.6797	104989.4297	104360.4609	81584.63281	80094.17188	67640.80469	64321.51172	44705.74609	5435.02832	295848.8438	34101.82813	5762.213379	165269.7656	33004.97266	6243.675293	107699.7578	21671.55469	0	71783.28125	190437.7813	164876.8906	192542.625	129783.0313	150270.8281	92749.8125	116583.3047	85176.34375	100527.0078	87403.5	77700.5625	65087.45703	56172.64844	5507.803223	233296.4844	31383.47461	4406.162598	232603.6875	28404.37305	5479.700195	107299.2031	32680.51367	6226.521484	52018.39844	167140.0156	170847.875	382731.9375	132504.0469	107333.7656	144408.1563	128379.0781	85342.92188	92317.42969	59128.25391	86607.83594	64024.41406	44213.19141	0	285829.3438	38677.26563	5856.381836	215566.7969	24296.48242	3790.308105	106067.1563	18468.47656	3907.560303	88272.21094	164397.6875	151527	158511.5156	150359.125	143706.9844	94900.6875	112429.1484	105577.8438	121987.1406	88812.97656	78787.57813	69393.88281
N2-(D-1-Carboxyethyl)-L-arginine	62190.92578	0	33038.41406	34241.83594	0	17221.65625	37929.26563	13651.53906	29919.15625	54036.69531	18568.93945	50058.82422	11702.97168	12433.5332	18797.61719	0	0	0	0	0	0	0	0	0	45336.8125	12784.55273	21652.14844	38143.01953	12589.11133	39694.57031	99737.46875	37787.37109	74662.33594	153424.1094	69963.24219	139315.6094	0	19066.80859	0	0	0	0	0	0	0	0	0	0	54332.38281	0	18105.96289	25250.23828	14195.49316	15470.87988	67144.44531	24947.58984	45236.59766	68887.40625	39653.76172	71642.07813	0	16547.36133	46704.87891	0	0	0	0	0	0	0	0	0	38382.48438	20579.28906	19261.9375	42427.64844	13880.84863	24763.54883	51656.80078	28467.45898	59985.09375	97234.34375	64083.39844	52934.53125	0	0	37110.98828	0	0	0	0	0	0	0	0	0
N2-(D-1-Carboxyethyl)-L-lysine	52047.26953	59758.46875	95563.90625	54512.56641	64147.90234	80426.70313	55165.11719	55538.99219	99133.71094	56633.21875	54671.41406	66925.35938	51307.92969	68682.32031	50414.91016	59244.67578	62262.33594	36369.35547	43406.54297	56034.79297	53839.39844	68025.22656	58571.62891	56823.85938	51799.86719	55366.15234	90073.1875	68235.05469	41257	90249.73438	59199.55469	57962.80469	89151.82031	73567.32813	65928.51563	134427.7344	46654.82422	61170.09766	39907.07031	55827.19531	56528.15234	51734.92969	49235.23047	55766.82813	51756.0625	82339.71094	74576.22656	41640.20703	61048.44922	60527.16016	65452.25781	52102.21875	58993.88672	71050.19531	65569.5	62635.55078	84119.8125	64454.46875	61526.47266	108871.2969	47309.92969	54909.90234	98891.8125	52800.40234	48091.01563	53827.28516	43200.35938	63126.45703	42262.02734	58435.35547	52419.35156	42047.79688	58232.41016	48447.84375	71420.49219	70156.32031	59695.84766	82127.78125	69081.97656	55737.28906	81608.4375	50638.82031	62813.35547	71080.78906	46978.4375	49937.80078	45924.29688	67847.11719	66406.20313	50875.17969	52052.07031	55841.85156	49195.92578	61364.4375	58003.24219	51469.12109
N2-Acetyl-L-aminoadipate	76989.20313	50071.73047	57596.46094	92475.88281	73226.67188	65358.48828	71380.5625	70326.40625	60344.08984	77234.34375	57202.57813	71733.95313	76520.57031	79252.60156	64779.32813	87495.32031	95887.49219	69199.14844	73141.64844	83389.54688	87467.78906	82763.44531	105009.1953	74287.89063	66996.11719	62740.05469	68145.41406	73250.61719	61078.57031	50052.85938	75020.10938	64589.10156	61699.53516	83799.91406	64557.20703	62882.88281	92600.28906	96749.50781	66071.33594	95903.30469	92457.59375	60451.30859	88399.34375	92630.51563	60363.14453	98500.96875	91513.28906	69936.21094	67450.8125	74700.07813	60715.96484	63841.84766	89255.80469	66999.89844	87669.375	70954.89844	61877.48438	70849.35156	77901.34375	58957.86719	76587.55469	96115.15625	90983.70313	75232.84375	98714.8125	84356.63281	69309.40625	87257.75781	66466.67188	68272.92188	114077.3203	62446.78516	83456.39063	72993.40625	60039.9375	67432.5625	61542	89726.97656	77602.65625	68763.61719	66804.13281	60129.34766	70872.625	65188.17188	82328.97656	74435.625	54320.53516	85603.03906	81009.01563	62058.84766	95276.125	101851.8125	69099.42969	89078.63281	85103.32813	82152.77344
N6-Acetyl-N6-hydroxy-L-lysine	135310.1563	133590.1563	203949.1094	222601.625	181544.25	180592.4375	166909.3125	137133.9531	205788.3438	154610.7188	156608.1719	184825.0469	145369.9219	208893.9844	147397.3281	146252.4688	230398.1563	165141.0156	143235.6875	184908.7344	181102.1406	207551.0469	175360.125	199494.9375	126501.8906	177232.9219	185946.6875	192883.4844	162847	193027.1563	164412.1875	160196.3438	175964.9531	186742.7031	132466.625	189905.4375	161730.2969	166857.9844	176672.5313	182315.9375	216516.5938	211215.6563	183222.375	197849.4531	178058.75	178968.7813	184947.3281	182696.375	161651.2344	126617.3281	158593.0781	104950.5	145381.25	178245.6406	172344.9063	170488.1719	173679.3125	166020.5469	149649.1719	166728.7813	148168.6875	199020.0625	289391.1875	163886.0625	207766.9688	194905.4688	145461.7969	193064.1094	183081.6094	186132.8906	174760.0313	158930.6719	180485.4219	138609.4688	156087.1719	194503.9063	147590.375	186699.3594	147025.6875	166240.9063	155134.8125	154264.875	139023.75	170239.7969	138585.2031	140527.3438	170271.0625	186530.5781	190795.9531	145105.5469	243803.6094	224907.5313	164354.2344	179298.3438	212087.4688	174764.0469
N-acetyl -D- glucosaminitol	73598.35156	75568.64844	214031.7188	115093.7266	72744.5625	217446.6094	80467.46875	85816.09375	186071.6875	64481.10156	91296.3125	289354.9063	109476.7031	129900.4063	233995.4063	109503.3203	142793.4375	240158.7656	95109.90625	123792.8281	414059.5	106884.3359	188478.1563	243804.1719	82141.51563	70473.45313	200129.6406	81878.40625	67733.55469	171728.2344	81471.71875	77533.5	166437.7031	71034.22656	105321.5	175830.9688	104217.8281	117892.1094	218027.5469	150148.2969	123595.7344	314358.1563	109154.5547	130665.9688	234995.8438	105824.3281	155406.1563	219391.7813	62840.64453	78557.60938	181654.1563	93453.34375	72131.41406	203059.2969	84995.53125	98347.79688	181245	91457.80469	95222.97656	200915.3906	93639.875	128900.2734	435339.3125	103795.2656	138022.2344	288163.4375	99927.89063	142254.125	239543.375	127550.7266	139746.25	214294.1406	83060.30469	81416.875	220124.8438	91570.51563	113008.2344	281034.5625	73687.58594	75824.94531	177825.6719	56362.5	73485.1875	188791.6875	110016.9219	111172.7813	223095.9375	150274.2813	160152.9219	259053.8281	107996.4766	173810.9531	278916.7813	142593.375	159883.375	262681.8125
N-Acetyl-D-glucosaminate	38660.82031	71067.67188	67647.85938	77678.07813	62466.66797	61751.88281	74868.24219	51370.78125	125950.4609	35558.24609	38164.36328	70101.17188	50589.25	56164.26563	177589.3906	65313.19141	109865.5547	78527.67188	61631.99609	42945.50391	93628.77344	75926.45313	39428.33594	81853.98438	60803.35156	78143.67969	137836.6094	37487.79688	45032.37891	76792.0625	41359.53906	80802.85156	67231.86719	61059.15625	76177.57031	141822.375	40213.36328	74662.85156	75894.42969	119629.2656	88094.04688	49289.86328	56854.42969	61945.32813	75910.07031	59338.28125	62097.99219	67081.19531	66600.03906	69496.5625	134723.8906	31864.08398	56374.17578	66147.11719	93178.41406	70083.39844	110850.9531	45715.28125	36950.38672	59307.72266	99479.6875	118040.9531	327683.6875	106338.7031	109357.6719	121843.5469	74637.14844	160083.0156	148506.4531	78264.51563	160515.2188	173494.6719	63574.09766	65471.35156	121262.8984	57756.51953	82807.82813	148219.1406	55645.49219	33729.66406	54732.01172	57339.85938	41750.19922	66534.59375	55681.23828	43071.78125	76284.11719	41782.8125	74198.28125	55556.00781	110617.3125	73691.0625	67941.05469	88161.21875	128776.5547	161036.7344
N-Acetyl-D-mannosamine	69421.875	79986.17969	58191.41406	135593.125	77407.26563	53488.21484	113491.8828	91645.92969	58150.70703	66542.04688	97227.50781	64456.67969	84231.05469	112780.7266	56579.66406	97823.42969	140687.4375	52572.29688	94680.53125	162576.0938	48291.58594	99453.05469	143409.6094	55431.75781	89640.96875	89364.39844	55714.03516	84101.95313	96988.21094	50500.95313	97810.96875	79361.51563	69111.48438	96551.08594	85290.21875	47857.36328	99639.46094	103462.1484	49889.76953	98688.35156	151466.7031	56465.23438	121573.5078	122571	55517.71094	91461.30469	118281.9375	46011.75781	93398.32813	84920.95313	43055.87891	85033.96875	90868.92969	39901.13281	84002.44531	90870.85156	50409.73047	108823.9531	70709.8125	47900.97266	126849.2656	135711.0625	70699.17188	112886.1641	147978.7344	58362.23047	94901.71875	127357.5234	50781.20703	94270.67188	174750.2813	56427.27734	85706.53906	74600.92188	44755.34375	86673.23438	81948.25	60911.90234	118055.9688	108731.7656	43744.19141	117008.75	119481.0078	48591.94141	74266.11719	137370.1094	51869.86719	107432.0938	164161.5313	88111.04688	118917.7344	148177.7344	65597.32813	131370.7813	108972.1563	56734.05078
N-Acetyl-L-leucine	50049.85938	50967.61328	376194.5938	73434.71094	54132.59766	323981.7188	65383.85938	62220.42188	359089.75	59464.9375	50461.03906	327959.6563	63823.49219	81762.14844	412357.625	86510.57031	114085.9688	362558.7188	61920.47266	90045.27344	536996.8125	77878.19531	83620.39844	407431.8125	49596.33984	53790.32031	311275.875	71544.22656	67640.6875	328045.125	55585.85156	47874.07422	362609.5313	85019.60156	53044.62891	285998.75	76729.65625	99264.89063	388738.1563	74926.9375	90081.625	438591.2188	74869.38281	84579.375	503938.5	83739.24219	87386.69531	379097.2188	63625.20313	53184.10547	349541.3438	53363.60547	47834.62109	370395.4375	56151.76563	52749.49219	311423.375	74453.47656	48904.14844	318486.1563	65794.66406	89207.86719	575911.875	70930.52344	90621.6875	407063.25	65308.73047	80056.1875	400038.0313	77061.48438	96196.92969	455807.0938	67074.20313	62661.15234	297815.125	52070.73047	50759.33594	410623.875	71625.67188	55637.96094	319178.6563	59594.73828	55134.4375	368137.9063	69337.67969	92200.25	430253.7188	67981.13281	93021.35156	359311.0313	84080.21094	91677.44531	409472.5938	81440.25	80040.76563	421237.6563
N-Acetylneuraminate	52617.46484	61414.03516	157234.6875	72203.78125	63687.28906	111337.1016	85182.96094	81953.6875	159148.7344	79519.5	85417.82031	168387.2813	111273.2188	95207.42969	135175.8281	105902.1641	152257.5	160723.3125	122618.2266	181029.5938	142696.2969	118309.8984	152146.9531	155776.1875	89272.75	92952.10938	104085.0313	91307.22656	63857.30859	118582.4063	66595.22656	83646.13281	115563.7969	118446.0469	107484.5938	130017.5156	93543.27344	161338.125	199728	118689.125	178575.1563	110684.6172	105680.3594	135554.3594	138762.9688	163625.0313	130805.2734	129003.7891	69976.92188	48930.42188	200068.3594	63340.55469	59940.84375	142732.6719	77643.59375	87072.34375	79051.82031	91157.22656	82638.47656	120344.1406	86805.14844	99623.98438	270750.4688	94342.66406	134890.6875	126570.6953	100539.2266	100800.1172	153347.1719	136577	132972.0781	157132.7031	82856.75781	51097.55078	113696.9531	78586.28906	84335.64063	143466.8281	86829.52344	70799.71875	114466.375	64933.47266	106953.9844	168554.3594	84733.95313	128217.9688	185706.875	188124.5	114190.5	165962.8125	109102.7734	132283.7656	193024.5313	119159.375	165053.2813	130684.1016
N-Acetyl-O-acetylneuraminate	222324.6875	199679.9844	233883.9219	737857.625	524780.0625	531251.3125	943086.375	835638.875	715183.375	936676.75	681787.75	757433.3125	0	27937.31836	0	0	0	0	0	0	0	0	0	0	168379.5	222029.7656	175846.0781	347884.25	289942.4063	381978.7188	362243.2188	351386.2188	381750.8438	258749.5	285687.9375	273691.375	0	0	0	0	0	0	38955.85938	0	0	0	0	0	257552.25	200701.0313	197273.0469	547535.5625	512075.7188	715617.625	732005.25	885309.9375	912680.3125	1085128.375	814654.1875	912916.5	0	0	0	0	0	0	0	0	0	17671.41016	0	0	286741.4375	249891.1563	143393.125	572339.875	291749.1563	405575.8438	1012295.125	646460.9375	757810.5	711016.1875	890815.625	727032.875	0	0	0	0	0	0	0	0	0	0	0	0
N-Acetylornithine	46363.09375	27786.01758	59701.29297	55615.0625	26344.17383	60283.28125	43829.1875	29104.50586	58971.42188	35189.83203	24203.21094	56633.02734	145240.7969	221554.125	84428.25	110787.6094	141887.7344	77440.65625	87534.23438	116526.5156	73067.21875	109578.2969	114567.2188	69420.6875	63841.58984	24557.79297	45625.71484	62832.80469	28711.91406	61955.43359	40747.62109	30187.74609	43023.13281	45530.45313	31750.08984	61806.41406	122207.7891	174437.9844	75191.50781	156349.0156	130710.7813	87313.30469	177278.5938	128480.1563	76127.22656	141851.8438	97568.78125	50906.86719	55416.42188	29959.93164	56504.19531	59981.60938	25856.58008	50892.11328	64681.45313	27689.39844	56575.76953	35334.19531	30916.74609	39901.84766	109622.5781	142325.8438	151145.0313	105266.3125	153217.4531	99128.02344	118488.1641	123290.0938	51151.26172	97416.83594	116586.6094	59103.06641	41258.55859	45839.72656	66607.57031	39604.78516	31317.42188	78701.34375	47271.03516	29301.98438	43636.30078	46632.75	26327.98047	56732.38281	124999.1797	122344.7891	65125.01563	241744.5938	132875.6875	86042.46094	152050.625	110048.1641	95508.08594	90951.71094	118372.3984	59082.42969
N-Acetylputrescine	264935.2813	187444.0625	244185.8438	315368.6875	246807.6719	270688.0938	354273.0625	317756.4375	277341.1563	324232.7813	268565.8125	229945.9063	177764.7344	199182.8594	228316.3125	250815.0781	409869.6563	223836.2344	241161.0625	303785.4688	211286.8438	308263.5938	274298	250043.8594	221957.875	224257	219224.0469	323425.2813	225826.9219	235087.8438	291664.5313	261741.7969	238944.6875	353711.6563	229162.7813	311631.3438	312272.2188	219859.3125	215549.9375	306062.3438	273993.9063	205470.625	286355.0313	303162.3125	214539.7813	281874.4375	274425.7188	183895.1563	263950.0938	240911.1719	245050.9688	284179.5938	280501.375	314969.8125	412753.5313	285895.375	251623.7344	364606.4063	279039.1875	287839.4375	207670.6406	230856.5781	340786.9375	260003.7188	241788.75	200365.1563	268895.4688	285835.125	168746.9531	242898.1563	376714.1563	246405.9688	246916.6719	231061.7813	287055.3125	284834.375	267310.7188	332538.125	348223.6563	212469.125	256538.1719	329946.7188	308279.75	314407.8438	208415.1875	233568.0781	146573.7344	265549.6563	239114.5	178984.9531	328482.9375	249401.3594	191703.125	302530.625	258271.375	215170.5156
N-Acetylvanilalanine	133909.5469	88781.67969	173089.1406	142838.5625	112906.9766	104077.0156	98813.64844	197644.8438	146275.2344	123818.2109	135062.2188	138289.0469	98244.39063	149413.8125	93896.51563	96502.86719	138784.6719	171158.6406	112778.2188	173146.7656	227303.4531	94812.86719	121262.5469	105716.3438	59036.61328	184358.8125	84762.92969	72418.39844	136976.6563	139854.125	95064.63281	88096.95313	160638.6875	96487.72656	103586.5234	229610.0156	119608.0703	131006.9531	188430.3906	137666.6563	125948.2344	100740.1953	129699.0391	104746.9219	158173.9531	91653.98438	128687.0078	117791.9844	302858.5938	109184.6094	125949.9609	114421.2578	185931.8594	205205.1094	117064.5938	86417.57031	183094.7813	144974.3594	94910.58594	163941.4219	139372.3281	140138.9844	217047.5781	108208.7266	158426.4531	171955.4063	77380.39844	167012.2969	78294.10156	82252.98438	102170.9063	117252.7031	102902.6641	143189.1719	150057.9531	139629.3906	159695.8125	134439.9375	99212.20313	150974.5313	146100.375	77611.72656	96843.73438	133606.3438	66918.28906	182402.3125	124483.6875	202725.2188	124589.1094	129976.3516	121102.7813	87556.97656	120175.8672	135812.6094	118648.7266	114743.8672
NADH	18127.96484	23476.76172	51969.20313	19240.18359	15114.84766	36709.21094	19381.86133	8278.515625	39273.21875	12527.48535	12358.5752	24689.44922	119962.3984	84389.14844	273758.1875	163879.9688	149556.8125	324714.7188	648700.5625	331625.2188	549745.3125	229499.8438	428628.6875	251087.1875	36845.67578	13055.51563	53124.89844	24380.60352	18295.73828	38218.60156	13815.72559	15474.53418	37456.74219	24982.68164	14034.09473	22884.69336	172919	216989.1406	130436.5703	280232.3125	308211.8125	429971.9063	172994.125	306979.9063	230178.875	386481.5	1083685.25	295011.5	20327.48633	21640.9082	59941.98828	13064.99023	16910.5293	29424.36719	17990.86914	15850.81934	33402.34766	15367.05566	14557.51465	22720.10352	199242.3594	181886.2813	122482.4063	184800.7031	184303.3438	328809.6875	223648.4063	262545.3125	664120.375	261908.6719	420322.125	267825.25	45053.5625	13326.60449	42370.72266	17190.26953	13905.92871	39985.23438	15488.22656	18124.07227	21306.48633	16097.67578	17143.0957	30205.35938	407172.5625	104938.5938	111668.8984	160358.6094	174679.0625	348356.4688	172529.9375	321663.2813	268802.4375	206240.0938	479970.3125	212303.4375
N-Carbamoyl-L-aspartate	803566.375	1080852.75	667553.5625	335868.3125	567448.3125	227104.5938	113523.1641	169478.9844	85907.96094	44803.58594	89319.6875	62699.73438	39421.51953	66997.92188	65219.17969	104406.1094	98906.02344	77149.39844	96762.92188	146272.2188	100411.5703	149989.1875	177058.5313	81856.55469	691590.375	1048055.5	633848.1875	1260382.875	1312569.625	659685.0625	1002740.688	1516305.875	621301.3125	606263.8125	759852.25	535752.25	63499.20313	70344.96875	78695.92188	88523.55469	92436.72656	74265.0625	97641.16406	126228.8906	70150.95313	173040.9375	144177.3906	90989.09375	683608.625	1304476.25	651811.5	439732.3438	731282.75	420720.5	179940.0156	241738.8594	118983.625	100731.3438	145889.375	73336.08594	55188.48438	67883.52344	94213.23438	73833.64063	93141.10938	80456.22656	98282.84375	167435.3438	66726.91406	96625.28906	132431.0781	98892.69531	775962.0625	911047.875	792813.9375	446319.8125	723273.625	412705.25	257781.6563	309481.0313	183873.1875	153669.625	190446.1406	120372.6094	53863.98047	61439.96484	71563.35156	72151.21094	104439.0391	63951.24609	92664.46875	94895.4375	75019.89844	129157.8281	111895.0078	82247.02344
N-Carbamyl-L-glutamate	212205.8125	185795.2344	270825.625	147597.7969	109625.3203	186970.4063	132047.8125	107020.9531	194914.5	161129.3281	111042.0469	217036.4063	171202.1719	179183.5469	278588.3438	182454.9844	170781.2656	256983.8281	179272.5625	191741.7969	223472.8438	209963.4219	191524.8125	238549.6563	196536.1719	165437.2813	248955.1406	323326.4375	195267.4063	247704.2969	324374	170839.4531	294531.9688	328383.8438	291263.3125	280156.8125	176200.75	190399.8281	223578.4219	195816.5	169574.75	230108.4531	177612.6719	211880.1719	262530.3125	232792.25	206061.2188	263552.0313	260130.1406	153994.8125	255406.3906	133750.9063	110782.7422	224671.3281	167909.7969	116374.3594	174539.4844	146099.3125	118738.5313	192666.9219	115034.2813	193182.4219	329847.5938	177800.0313	195422.7031	259389.2969	210278.8438	165975	208864.1563	161987.5469	172855.7031	229706.4531	260049.5625	194399.25	242566.6094	208211.6406	133188.1563	211583.5781	181858.0938	110423.9531	182520.4844	147386.75	121096.6016	200677.7813	173686.9219	171267.8281	238403.7969	176569.1406	213349.9063	232039.4063	232176.2188	201381.0156	234910.8125	188815.5625	235286.6094	235496.6719
N-D-Glucosylarylamine	297540.125	200917.0625	171791.125	164092.1563	253101.8281	375276.7188	202913.9063	338098.0938	255313.5	298825.5313	194394.0469	262954.4063	161263.9531	313273.4375	196172.0938	255464.7656	192585.6094	243648.3281	241622.1875	228883.0781	228331.1094	332907.6563	157079.875	305933.8125	201117.5625	207161.4531	303609.625	170868.6094	308255.625	254002.2188	134165.9219	190678.4219	296647.5	279672.9375	136021.3906	343631.1563	198314.75	341662.9063	758346.1875	158383.7969	202342.3125	215463.5469	284577.8125	413253.5313	300846.7188	250471.5625	165523.5781	284143.0313	254111.0625	190088.6719	453498.9063	166108.8125	172386.2188	274070.2813	176697.2813	193216.4688	712750.4375	198307.7031	182830.75	281813.5	148070.25	179842.2969	406676	150030.6719	343798.5313	277701.0625	130938.5078	275046.2188	115610.6016	99281.49219	300647.1875	301938.9375	197139.9375	215881.6719	243076.9844	234967.0938	203770.6875	218589.8594	168160.4375	265979.7188	267031.1563	305882.9063	134809.8594	273872.9063	115942.0938	443723	220603.4688	291667.75	295385	228446.9688	365289.3438	216986.7031	227010.2813	181946.2344	104435.9063	173342.875
N-Ethylmaleimide	15094.78613	22160.01758	52689.23438	21882.59961	16736.65039	46478.03516	19636.95898	17000.80469	60708.58594	19905.30078	16915.23242	69778.4375	26041.82227	31463.31445	77415.875	29200.08008	46588.25	71908.72656	24328.75195	18982.10547	51129.43359	45275.52344	37312.65625	83663.14063	20849.54297	18466.42578	41345.86328	20682.86523	19650.625	55011.50781	16643.17773	23966.98633	51751.51953	19102.92383	23591.24609	52284.89453	24347.36719	32789.98828	50993.08594	24220.13672	38513.04297	53336.94922	29882.12305	43076.14453	65492.69531	34694.90234	36888.36719	52915.75391	19058.79883	21047.22266	43257.28125	18625.08984	21451.73633	54709.08594	22865.20313	22748.9043	56039.35156	21673.67578	14818.05762	24012.33203	28890.2207	41282.78516	111152.5156	39745.14844	29943.08594	85197.76563	38638.50391	42713.22266	53319.83594	31401.01953	48120.5	98367.48438	13280	18240.97461	55336.24609	20623.32031	17630.03906	60842.80859	19546.58203	15743.24609	57593.32031	21496.76758	17904.56641	49166.33203	30996.97656	30512.3457	72227.92188	38452.1875	41121.49609	60479.84766	35069.65625	43714.12891	92006.625	38062.23438	37175.04297	79508.54688
Neuraminic acid	34800.42578	31444.04102	53427.69531	46690.71484	36518.51953	67362.16406	44133.53906	30139.44531	70471.45313	40611.14063	31059.97852	69644.89844	43124.28906	51907.94531	74914.59375	53713.33203	50392.10938	69606.54688	44400.69922	58236.51953	68905.39844	52519.36719	57493.26953	72098.96875	37530.62109	43647.28906	74645.61719	36918.24219	36361.45313	54590.69922	30234.58984	46742.20703	75082.5	39201.15625	33608.60156	64208.84766	43738.07422	42937.78125	61759.48047	47920.96875	57039.35156	57689.95313	52267.04297	69913.95313	60960.92188	55334.75781	54753.50781	59479.83984	42047.33984	37179.82422	58866.71094	31097.39453	30328.38281	70596.92188	44978.82422	48035.33984	71167.58594	38888.02734	34432.78516	73553.28906	49417.46484	49443.56641	105575.6094	45277.71094	52235.37109	60199.96094	42880.55078	51748.09766	51381.39844	39936.20313	58674.07031	59459.74609	31250.58203	39134.59375	62523.49219	42305.01953	35497.85547	64882.69531	34742	41566.0625	52020.3125	44961.51953	29464.94141	59772.59766	36647.15234	49093.26563	68444.78906	49854.23438	47730.35156	52175.30078	44796.57422	58436.39063	57726.92188	50571.88672	50715.5625	60054.68359
Nicotinamide	243416.9531	396596.4688	912867.3125	367750.875	218951.4844	266585.75	293383.7813	178953.6406	483191.9688	444275.75	543681.1875	342409	153618.6563	219892.125	808910.3125	207134.75	397987.5	607343.5	201930	255531.875	282250.625	146442.2188	171986.8438	159119.375	83961.875	318496.1875	616562.0625	113217.4844	102556.4766	297343.625	99003.64844	236029.9844	499404.0625	458984.5938	252608.0625	278643.4688	132110.5	336822.9688	617680.75	364151.875	497115.0625	433130.1563	176968.0313	723678	416588.0313	505069.4688	870034.5625	990398.5	197418.3438	416714.5313	646489.0625	175946.4219	248427.2656	225322.0313	278401.7188	251034.8906	280223.5938	324290.8438	321662.3125	299000.0625	144786.1094	612667.625	1170441.875	85200.39844	290124.4063	334240	93353.0625	440998.75	224130.0313	154731.4375	380545.75	353371.1563	185136.5938	248786.5313	391310.6563	256546.1563	342278.4688	313328.2188	346025.5	386044.5	243680.5313	99765.00781	395386.0938	728590.5625	184235.5625	229189.0625	321813.4063	171371.1719	997215.6875	358579.125	395463.7188	464366.9063	323888.1875	237408.9063	410396.0938	215223.4531
Nicotinamide D-ribonucleotide	125274.7813	128089.5078	135821.1406	144570.8594	151275.1875	134856.8438	144011.4844	115420.7422	150025.0313	134231.75	150633.3594	155255.3438	183582.1094	194812.7188	98612.17969	198970.8438	161473.5	103822.1172	214328.0156	158735.875	109961.4219	189458.2188	189426.7031	102599.8125	112731.0234	128665.0547	105906.4531	125422.7266	111729.1797	98079.1875	120648.9453	115055.75	96831.27344	142150.9219	130473.0391	115344.2578	122089.4766	175620.4219	91253.34375	169379.5313	155233.8594	88890.33594	158363.625	146534.4688	118927.4141	175490.2188	128150.3672	97134.49219	146514.2656	116509.8516	106438.5	134366.9688	154579.1719	119353.8047	142489.8125	132753.4844	108264.5781	123875.5078	124051.7344	118528.5625	133313.3438	169556.6094	134175.7656	144495.75	208668.5469	124307.3984	179671.0781	170169.3438	102203.9063	136392.0156	166833.7813	125866.7969	133209.0781	108221.9609	118571.1094	122623.6328	115649.7656	108606.4531	147165.3438	134912.2344	108133.2344	115177.5391	155594.7344	126010.3125	172849.75	172474.9688	94503.5625	159910.4219	189349.8281	118680.7656	218446.4688	186424.6563	101746.4219	185861.2188	177821.6719	120157
Nicotinate D-ribonucleoside	529426.375	734061.875	308920.4688	648964.4375	621377.5625	350246.75	769447.125	546119.0625	377013.2813	682760.8125	489063.1875	385477.1563	187864.3125	325615.9375	198174.3438	251542.5469	258653.875	227105.0938	282247.9688	276774.4063	262692.875	255442.4375	297536.5313	199471.6875	479981.5313	704668.875	338264.8438	587742.5	581004	296624.5	528091.25	532106.875	417664.5	979390.5	578470.3125	498414.5313	351529.1563	504208.1875	405140.4063	277518.2813	299934.75	224793.5313	248095.3906	279468.8438	724971	315591.4375	371366.3438	213685.9219	519390.2188	765427.8125	284597.2188	559142	631802.6875	281632.7813	692612.5625	656400.5	336833.2188	663508.1875	576305	457387.1875	331310.875	458592.0938	527357.125	210022.625	272617.3438	219556.4219	196124.3906	234947.2188	728380.5	189733.0469	326270.375	180398.6563	606995.0625	699131.9375	314780.25	678600.6875	618112.625	318012.125	666679.875	554522.0625	384132.8438	701787.6875	566655.1875	414911.2813	257968.6094	268075.25	163949.4688	233064.8906	231668.9688	195294.8906	257491.4844	303037.5938	248798.4844	250812.7813	331089.4063	225164.4219
N-Methylpelletierine	63527.95703	121972.0156	135207.9375	63740.98047	84888.25	117980.25	84808.875	91914.49219	81623.66406	110037.4063	63830.57031	75763.6875	64916.79688	60338.97266	92168.78906	109986.2266	53635.04297	130196.8828	52213.35938	59383.42188	170510.4219	73895.51563	83389.67188	145686.0625	60066.66797	80701.57813	109851.8594	83237.96875	78683.64844	130916.8125	59805.24609	92974.55469	88229.75781	79350.53125	68084.78906	136016.0156	57144.38281	53521.33984	92758.46094	99479.8125	66049.57031	118226.9766	56665.92188	82399.74219	100982.2578	77526.48438	73891.14063	165479.6719	49347.35156	70810.57813	81805.1875	43523.98047	58944.57422	115476.4375	73969.86719	78403.80469	122872.8047	61366.30469	101827.5703	101913.0625	35476.65625	55973.86719	74324.25	70044.66406	73048.32031	185598.5156	59587.14063	65512.03125	110416.9844	37607.30078	111119.0391	136327.3281	98945.88281	71916.75781	70745.77344	31423.36719	78115.72656	176171.25	49820.58203	57582.73047	145749.4063	61552.8125	84325.64063	114413.2266	45654.33594	54839.85938	114187.2891	72150.96094	106547.1094	66583.85156	82078.76563	73488.70313	152999.1406	98248.52344	78015.38281	129580.4219
N-stearoyl tyrosine	43118.59766	23265.30664	152693.6094	57148.25781	0	126903.2422	36596.17969	0	122965.9922	24693.35156	0	98286.375	109529.1953	252436.3594	176278.75	88176.94531	215347.3281	215901.1875	118846.2969	129790.7109	240317.8281	112680.4297	160904.625	121637.5391	30745.75391	24592.62891	143678.0781	41200.59375	18235.72656	116408	19102.32227	0	120410.7266	26617.82422	0	82549.64844	297586.6563	251658.5781	203434.625	218938.7031	160515.125	216439.6719	158764.3594	248089.6094	151166.2188	151520.3594	134277.9375	137095.8281	58098.14063	0	150851.7656	40801.51563	0	164917.2656	38633.21484	0	120971.2031	50141.67578	0	128112.4609	154321.3438	238036.625	457530.3125	130997.4063	176613.2969	226957.0781	106938.2344	297977.9063	101334.0859	128469.2578	197328.375	170767.875	39443.40625	21939.5332	172559.625	54642.5	0	186162.3125	30741.60547	0	139619.0938	18279.71094	17044.23047	132679.1563	121798.9453	228543.5625	225335.2344	177127.7031	180796.3281	164543.3125	180995.6094	207538.875	153392.3906	201225.9375	152186.6406	118341.2578
O-9Z,12Z-Hexadecadienoyl-R-carnitine	48735.00781	77355.46875	247709.9219	109825.5625	41026.33594	254266.6719	133826.875	168277.0781	334766.875	89947.92969	88291.51563	174593.9219	227113.1719	280768.25	298322.1875	203837.4688	351583.5625	431205.3438	323033.5938	339638.375	309150.0313	211086.875	239084.0938	270828.9688	124273.2891	41538.55078	347633.375	59591.19141	73164.1875	320330.7813	46660.62891	70685.91406	232657.2188	106371.7422	74578.79688	231659.9375	349268.4688	438206.875	595576.125	260839.5938	298060.4375	209960.25	303440.1875	246969.0313	343111.0938	319319.8125	570448.0625	289439.9688	101471.5938	90217.71094	145129.0625	65337.41016	101663.1719	276098.0625	49957.98828	70130.48438	265839.0938	294110.2188	42533.00781	315416.3438	147792.5938	249811.875	369002.7813	209822.8594	511297.7813	472066.3438	190137.0781	354552.0625	342486.625	367925.25	337541.9063	199420.6563	81847.55469	24745.04688	224530.1406	70029.76563	66296.54688	239894.375	231083.0781	82868.32813	196460.3906	142204.7656	0	342693.3125	134750.375	340690.7188	390164.9688	324889.375	317007.25	342903.8438	288957.7813	205593.5938	397725.5313	298889.625	262306.5	235958.6563
O-Butanoylcarnitine	149713.2813	97889.50781	248864.4688	139738.2969	137223.6094	206801.7344	166701.0313	110915.5781	200088.4219	130651.7734	114533.5938	231844.3281	248403.8281	316957.8438	351616.0938	336442.4688	339914.4375	336663.9375	274848.2188	320587.3125	318967.8438	317249.1563	326038.125	297875.4063	133688.5469	106472.5234	214073.7188	148079.9531	111676.2422	234898.1094	128083.3438	102794.6172	232225.2813	136690.8281	132482.2344	208448.6875	320906.375	344050.0313	314390.5625	294517.5	316077.875	369780.4688	338447.8125	342245	372399.6563	354294.6875	377207.4063	264253.0938	166244.6563	106861.4531	194365.2188	120169.5469	91944.55469	29076.17383	141929.5156	124689.1484	220414.4688	140915.7969	114622.7578	235815.4063	247721.75	273502.8438	477531.4063	267599.9688	347369.1875	294541.7188	306181.4063	339925.5625	288308.125	264883.6875	385659.8125	299647.6563	129647.7578	113775.1016	260458.7344	132207	129827.2188	209022.2813	150330.875	100310.0469	195311.5	128894.3828	101688.1563	232472.3906	283054.7813	364129.875	345309.6563	316562.4375	385552.1875	318096.0625	294442	361494.3438	395387.125	313315.2188	314628.0938	298813.625
octulose 8-phosphate	45101.14844	54314.34375	63531.46875	46040.99609	42307.53906	80168.28125	54734.3125	37601.92188	91095.71094	41743.99219	39699.58203	79222.01563	63720.41016	85915.26563	187316.4063	71662.09375	75964.9375	46785.33984	131833.9531	112551.5234	178601.9375	104974.1875	128889.3516	195451.1719	16386.58984	21370.61133	40652.87891	52142.72266	42530.64453	95306.98438	40460.83594	48871.78906	93365	42426.11328	43981.18359	84951.78906	56477.09766	76072.39063	38905.48828	95206.35938	99794.53125	196793.0156	79839.6875	97143.75781	218584.3281	132474.5	148593.3906	213386.4219	48955.25781	42390.17969	68692.89063	30688.19531	48481.8125	79750.67969	43143.23047	47761.42188	98292.33594	44916.25391	40391.23047	85569.54688	66522.03906	84602.1875	271668.9063	51044.99219	86859.05469	116361.6094	69983.72656	122851.3125	153093.8438	102162.2578	127335.8438	205921.4531	26580.24414	29592.67969	39646.08984	60168.04297	49095.62109	76789.375	47227.85938	51117.875	86782.125	39090.34766	52008.12891	83850.32813	75247.27344	83736.875	154876.6875	60772.92969	85183.32813	111064.375	90650.24219	101905.2031	249403.9531	110395.7109	142005.7656	222792.4688
Octylamine	260206.6563	291824.375	293324.75	253825.75	245792.1406	295679.4063	292197.375	277240.8125	281465.4375	240862.6719	277870.5313	308206.4063	214246.4531	261525.5469	312407.2188	258342.6719	307652.1563	277803.75	255817.0156	250489.3594	342450.6563	241160.625	273298.2813	327588.4375	213113.2813	257883.5625	312537.3125	247999.125	256136.7656	304415.75	207560.8906	292990.4375	326975.375	261420.5781	284762.0625	312329.9688	260445.2813	273213.0625	283403.375	261629.4844	276947.1875	306858.0313	247839.5469	270743.125	284193.9375	271560.5313	328862.1875	275270.0938	277961.875	274522.5625	319294.2188	224012.2188	286410.4688	311400.6875	243935.9219	276943.5313	296443.0313	217265.5781	249598.0781	292364.9063	234558.3125	297032.2188	300224.0313	224294.375	286557.1875	314275.7813	223281.4531	305273.375	292057.2813	226709.4375	268779.1875	296744.25	260734.0156	277030.7188	334104.7813	214296.3438	270614.4063	314163.3125	256524.7344	298535.6875	318281.2813	215102.3594	270723.9375	334788.4688	209541.7813	285194.375	329987.2188	310108.3438	319436.4063	285265.0625	266812.4063	258261.3125	291099.875	270557.2813	303241.7188	297291.625
O-Palmitoyl-R-carnitine	35680.89063	33524.07422	115852.7422	46157.83203	29248.47656	129145.625	53694.42578	37592.18359	104734.8125	46139.67188	32337.83398	100757.8047	68246.00781	109025.5625	186505.9375	95441.30469	119896.0547	167623.9219	64533.02734	101319.9141	151713.2969	103842.0625	114645.5391	135900.625	28783.71484	33129.52734	109625.1484	46874.51563	35131.79688	111603.6328	38956.04688	26274.50586	110770.4609	43801.00781	30436.73438	98109.59375	91057.58594	99586.76563	163661.6875	87788.10156	120791.9297	186073.7344	100552.5938	110313.875	157322.8594	103993.5859	106963.0469	121947.5234	42130.71875	37334.91797	109844.6719	34175.54688	36969.92969	112465.0703	40416.96094	39201.76953	105894.1953	38713.87109	33108.49219	98797.05469	65188.63281	125421.8594	281466.9063	69605.25	117680.7656	164163.9688	69565.10156	129864.6172	118596.0938	81137.35938	116813.5078	114109.9375	41254.56641	32369.69531	108700.0859	40706.87891	36230.53906	116845.7266	49068.32813	29009.34961	107738.7656	27389.07031	33094.98828	115771.1719	65561.48438	110233.8047	228641.875	98032.04688	131198.1719	144724.8281	0	119936.3438	144360.875	107258.4922	98839.58594	141665.2188
Ophthalmicacid	27740.38477	18491.7832	17404.07617	35504.37109	21689.95117	11061.50781	26726.07813	19461.00195	9091.0625	30189.38086	20107.96484	10011.0918	89596.30469	89416.24219	47734.46875	82086.38281	69547.67969	27480.40625	70751.07813	108502.375	29894.37109	75452.0625	70110.03125	19561.79492	31730.37109	21048.5332	16028.58398	41625.22656	16385.70508	16649.43359	29580.69141	18896.53125	18902.29492	31616.94727	24904.55469	17377.16211	67885.42188	100132.0547	35663.46875	69715.85156	84322.03125	34211	70093.50781	72935.96094	21360.61328	56988.84375	77078.40625	18949.26758	29718.80469	24092.67188	15891.04297	30152.17578	23693.0332	16840.58008	30355.36719	30410.67969	15965.36719	26725.27344	24861.52344	19016.21484	64406.57813	96706.11719	79153.35156	82321.67969	82220.39063	26548.67188	54180.5	69994.60156	25920.95313	54967.16016	65081.21484	21088.78711	27582.27734	23370.36328	16537.45508	35557.69922	19858.3418	20460.41016	27826.61914	20839.06445	19328.5332	24677.88477	24855.28711	14456.25977	95330.41406	75561.20313	40345.18359	80781.80469	102314.6797	22896.68164	66648.71094	72181.89063	28135.57031	53669.02344	68989.64844	23215.35547
Orotate	48368.30859	33795.90234	38337.97656	37385.99609	30114.64063	58569.02734	28990.23828	33624.64063	43102.51953	34800.87891	44726.08984	80162.04688	53124.54297	56528.53516	85068.16406	56290.10938	57795.67188	57850.78906	81996.21094	74021.00781	79262.51563	48386.98438	72921.49219	66191.82031	32216.18359	30847.60352	70966.99219	64539.07813	19919.49609	42280.80078	49685.27734	38929.08203	40311.23438	24779.60742	49515.44531	59657.39844	43173.84375	57168.5	81806.32031	48508.32031	88781.23438	73072.625	43831.14844	47592.69141	47818.98047	70113.03125	76928.3125	46822.26172	46026.03906	45441.96484	54502.14844	41732.02734	29995.64453	63636.09766	44520.58203	39139.28125	44083.75391	47437.30469	26824.86719	56793.79297	40553.80859	70522.21094	104592.8984	50752.64453	128228	90369.13281	37107.16016	51854.55469	73719.38281	58487.42578	60754.28516	47182.01953	35750.30469	35547.62891	51670.87109	52315.38281	34981.33984	60456.53516	34782.51563	38927.69922	49845.85938	50261.22266	44954.13672	48695.48438	67282.23438	61002.55469	73585.72656	71121.01563	54338.15625	66310.89844	64711.30469	64680.29688	72559	53715.14063	67832.49219	58599.6875
Otonecine	147246.7188	129940.1172	222717.6406	123335.8984	154453.9531	235583.6563	152445.9063	128598.9766	192177.0625	124075.5547	131480.7813	197028.7031	182944.9531	227548.3906	344719.8438	362465.6875	339627.0313	236549.4063	190479.4063	318532.5938	237329.4688	222961.9063	249635.5469	184953.4375	96854.82031	115751.7188	205470.4531	136421.3594	117272.1563	156888.7031	116596.3594	145457.5625	180564.25	152851.4375	133229.875	212233.1875	381289.9688	357331.3125	212533.6719	193554.4063	266625.6563	250992.4375	202702.1563	251731.9063	222295.6719	225814.8906	354613.1563	285602.7813	125562.0703	128226.5469	171449.0469	122945.7031	104192.1641	176752.8281	139077.625	112502.7109	196317.6719	155206.9219	126196.8594	176307.2188	145039.7656	219926.8125	386263.6875	165579.6563	237249.4375	232878.8125	186043.7969	275023.5625	231316.0625	199865.4375	263686.8125	261132.0938	120278.3906	142435.3594	168834.3125	122531.875	115501.4766	235701.2969	129625.8594	156367.3125	160221.0313	107618.4375	155347.6406	181252.2031	169451.875	197429.375	240834.0781	249282.5	253347.4844	209859.4531	260532.2969	255039.0156	228297.2344	227837.5156	232216.2031	227035.3906
Ovothiol disulfide	47044.59766	59919.41797	107389.9688	40452.32031	34337.85547	161818.3906	55357.50391	24029.43555	109549.9688	38831.90625	63373.01953	147612.7969	47761.55469	53514.51563	148681.0469	70930.91406	51162.06641	178910.4531	49382.71094	85913.44531	167164.0313	98757.75781	130191.6563	131939.6094	65411.89063	48353.46875	150390.6875	53495.30859	33135.68359	178908.8125	48738.83984	52340.37109	138871.3125	69610.27344	59077.77734	170017.3438	84649.78906	84810.0625	161550.75	87545.23438	74817.54688	151770.2344	75536.28906	63596.51563	132256.8281	94668.5625	108713.2188	163484.0313	43497.4375	57821.84375	138928.2344	47535.94531	46007.44141	133721.9375	49062.96094	76588.83594	129750.1719	59372.33203	57236.76563	121661.3203	66192.17969	75059.72656	152844.1875	68488.16406	66367.08594	198322.1406	52945.76953	103803.2266	163304.8906	101957.3516	92400.64063	155877.3281	52302.69141	33074.24609	136545.3906	49968.87109	43351.95703	136825.4688	64903.28906	45243.22266	118357.7656	51643.94922	68672.59375	137602.2031	76574.64063	92266.22656	152297.1563	56514.21484	62606.10547	161962.5938	54969.38281	90496.57813	147763.2969	75772.40625	88921.08594	161119.7969
Pantothenate	75195.44531	74182.95313	69601.09375	57655.19141	89373.75781	92839.20313	114759.2344	50965.21875	98310.64844	80829.45313	75808.09375	89895.11719	44896.82813	90871.85156	80802.45313	79246.48438	93907.125	97514.4375	91871.92188	105452.1797	118004.3438	112946.0078	133183.5625	118696.4766	63706.87891	67233.17188	72309.46875	57214.67578	71022.59375	94233.78125	69910.89844	44440.85547	90922.71875	95111.3125	95666.67188	105044.7813	78226.21875	78413.21875	108849.5078	69260.82813	117549.5	88533.28125	105331.2969	98200.01563	103510.0469	105899.5234	157418.0938	104968.9609	73447.58594	62161.38672	66196.50781	70008.82031	74971.92188	84362.86719	107559.0859	93306.82031	102057.9219	95677.88281	71398.75781	90757.75781	60677.91797	81219.22656	151977.3125	64404.69531	110397.0391	99461.10938	75779.89844	118273.8516	109530.0781	120315.3984	146631.375	194158.1875	72879.75781	99952.97656	66522.38281	85064.64063	85725.02344	86819.64844	98284.57813	75220.13281	76017.83594	111448.3047	62708.60156	106484.3203	51861.8125	101874.75	89980.39844	71428.625	88323.38281	90413.25781	95202.17969	124080.3828	117420.5547	91919.67969	108699.1484	150202.7031
PC(18:2)	139117.5781	215580.3281	589576.6875	43642.31641	0	169891.7188	0	0	205516.0469	0	0	0	233478.6719	339451.2188	622897.9375	193914.6406	741251.9375	352107.375	339284.0938	488767.125	451284.2188	210048.5625	272671.8125	390455.7813	182287.25	170523.7969	309485.3438	0	0	160149.875	0	357825.5625	272943.25	0	0	0	345218.0313	622297.0625	266105.1875	369757.625	488531.6875	809183.75	239560.7813	1662310.75	364432.0625	378861.625	616904.625	399172.5313	200406.4844	310619.0938	343959.0625	0	0	155835.5625	0	0	259647.7344	0	0	0	224096.3125	582205.875	1364761.375	152939.3594	329343	260623.4375	140930.6563	750222	393513.5625	154715.8594	460802.5625	380788.6875	211617.5781	333715.6563	408368.2813	97095.09375	189705.7656	267739.1563	0	0	142421.2344	0	0	0	295815.9063	294549.2813	275484.875	403176.4375	428224.5313	334652.125	399692.3125	345577.9063	282053.4688	240046.4844	764963.8125	276555.1563
PC(30:0)	408098.0313	306431.4688	510082.3438	379012.0938	404650.125	639555.375	504225.0625	494397.9688	476464.8125	360407.875	450968.875	659959.375	238658.5781	293803.1563	475503.3125	244610.6406	478145.9063	438878.625	372630.8125	369109.5625	405944.6875	274601.4688	122131.875	362507.0625	357295.375	551964.9375	399779.5938	446065	327248.3125	787576.6875	330946.0313	441797.5625	477050.75	651883.75	338082.4063	907205.375	333999.0625	507509.6875	472798.5313	418499.2188	442241.2813	563533.0625	352838.5625	511632.0313	387100.5625	322491.4063	566860.75	381892.5938	482095.8438	507509.875	363540.5	369479.8125	342588.9375	575586	439989.1875	368258.2188	548486.1875	357146.0313	281113.6875	518035.5313	334541.1563	359329.625	646737.9375	222048.2656	342557.75	392262.1563	234348.1406	484958.25	495306.125	310925.5938	529045.5625	440035.75	404548.6875	367290	437319.125	386086.9375	522636.6875	467912	345553.0625	305843.0938	617126.25	255042.5156	339526.75	646572.8125	280243.125	385129.7813	562864.875	355888	397280.9375	426435.6563	389052.6563	558748	374182.25	357176.9063	382977.1563	435099.6875
PC(32:0)	232903.8438	204548.2344	235822.25	178762.5781	316856.25	242167.75	407391.3438	185853.9219	182263.0625	377780.6875	373020.125	522990.6563	124263.8906	92306.03906	324039.4375	268378.9688	319482.9063	340124.4063	60989.39453	212152.5781	163701.7813	147886.4063	335411.8125	180660.375	160746.3594	152225.2031	414103.375	470627.625	315047.25	273000.7188	140477.2969	319827.0625	266018.4063	446000.25	209026.0625	393181.1563	296953.5313	139210.6563	158655.8906	131801.4844	139267.0156	223819.1406	289509.4063	185890.75	204133.1719	356453.5	298662.625	328135.2813	163734	436298	217477.7188	167618.7188	226802.8281	412639.4375	169595.6719	106837.9609	230971.9063	429319.8125	379411.5625	425289.0625	94731.75781	212453.1875	157559.5156	95428.57813	144819.1875	352782.0938	190649.0313	342073.0625	241968.6094	183876.5469	173889.2188	192126.625	152072.3594	207446.625	316720.0313	231826.4375	145702.5313	277165.9688	229050.7344	165505.6406	447858.875	344768.8125	384155.625	531876.4375	79218.92969	193512.5781	180971.5625	293045	345898.0938	301219.375	162223.4844	176217.2344	161551.2813	194970.9375	195452.5156	207045.5156
PC(32:1)	123730.8438	143321.8594	173882.9063	318787.9375	297888.1563	480905.125	255871.0938	244486.8906	369513.4063	268192.75	291592.875	393283.9688	195480.0313	313390.4063	251019.6094	207117.4531	297947.5	336242.625	161403.4219	297109.4688	355388.25	316096.6875	331433.125	380806.4063	224433.625	283097.1875	340177.625	253691.375	259101.3281	415634.9063	347181.2188	229387.8281	408615.1563	626390.6875	383922	603840.4375	340699.0625	310066.0313	315372.1875	260294.3125	378976.5	376746.625	269674.6875	282214.9063	320303.375	248541.25	385659.125	259967.3438	467470.875	329204.9063	389472.1875	298551.5938	220961.0625	479618.0313	123130.4766	191308.9063	252495.2656	160904.7656	270475.25	269959.1563	185261.9844	241152.1406	382457.5625	197456.125	233432.8906	341412.9375	203483.0938	260334.6406	299001.6563	293054.0625	315545.2188	342682.3125	270915.9063	282216.9688	378117.5313	351971.4063	247659.5625	458946.125	236435.8906	158637.3125	247044.5938	396184.8438	215899.125	363315.6875	174807.6875	293272.375	338880.2813	335679.6875	278580.5	310929.0625	279201.375	339852.5313	288710.5938	420525.7188	270546.875	298456.7813
PC(32:2)	146906.375	124561.0313	244275.1875	177500.6875	197066.2656	197568.2813	210989.3281	100099.8672	249340.4688	129132.3281	95362.65625	180102.6563	158237.5313	203479.9688	200625.4531	228421.8594	219767.375	148538.5156	196037.8125	227144.1719	179857.25	179361.3281	266101.75	97212.21875	133060.875	64700.25391	177334.6719	230977.6094	172905.5469	257898.8906	160065.5156	167363.3906	221544.0938	402387.3125	222030.4219	304428.6563	272800.8125	281742	173624.7813	254072.1094	357129.375	206239.0156	238313.8125	279337.6875	108543.2734	265495.5625	269055.5	119187.8672	287649.5625	165918.7969	158757.0781	226920.2344	129755.2578	170058.6094	174999.0781	128612.5391	169534.125	180273.4531	94526.27344	187658.0781	185477.5625	183849.9844	275587	137367.9219	202318.4219	154536.4531	109986.6875	381557.375	180572.2188	228782.1406	248114.8125	108587.8125	159539.8594	159841.125	159819.4219	169044.6719	139904.7969	250360.5313	161105.4375	126280.9688	276243.625	108640.6016	177345.875	185998.4688	158101.625	215369.4063	242090.5469	270379.2813	224084.5156	144125.6875	373893.1875	231973.2969	118184.3047	256482.3594	199937.5625	148905.1875
PC(36:1)	138169.7656	129671.7813	144463.7813	94222.82031	153563.3125	184905.9063	212237.2344	165448.6406	138092.3281	134452.7813	151020.25	142492.0938	68590.27344	104515.7031	43093.53906	77142.0625	88256.21094	66107.83594	46762.68359	80875.0625	63403.93359	79927	79694.75781	60879.73438	121648.8203	133340.4844	147070.4531	188272.0938	154722.4063	153313.2656	233642.6406	171741.7031	187876.5781	316660.625	248758.9219	221414	88142.67969	81152.39063	64817.28125	78586.375	84952.92188	59506.04688	82168.10156	82332.25	58466.54688	87064.03125	89981.28125	53279.47266	64748.48047	117648.8438	58234.87891	142611.2969	139618.3594	170376.9375	181163.2188	148702.5313	146340.2969	282171.1563	154587.9844	111937.9141	57927.75391	69545.78125	46911.87891	54032.17969	85426.0625	68137.66406	59901.78516	91589.5	42039.90234	106478.5156	88607.32813	57684.85156	122268.625	122525.7266	140747.4688	161874.8438	153831.8281	200272.3125	228963.9219	139759.9844	181171.8594	78645.40625	202272.6719	71267.63281	54032.24219	92476.92188	66585.97656	79168.52344	96468.94531	46292.39063	22470.00391	35003.375	41893.3125	88622.42188	75982.63281	74383.16406
PC(36:2)	236647.4063	199299.9063	376767.0625	426627.5313	480709.7813	408910.25	481943.5	493228.6563	328888.7188	473646.5313	438152.1563	407695.6563	187972.1563	124139.6172	253216.6563	383048.3125	420914.0625	292953	230713.5156	96970.09375	172344.4531	362765.7813	455584.875	237890.9844	298579.25	395061.4063	301407.4375	319693.875	371019.4688	188383.0781	425131.2188	452601.2188	474312.6563	889205	594261.125	524458.25	346985.4688	395236.9688	269823.3125	397534.3125	460392.5	280000.0625	326784.5938	516395.75	277522.0313	392963.1563	413825.8438	212794.375	35097.45703	408247.4063	43839.89063	84268.53906	449668.5	180403.1719	284243.3125	116198.2109	99459.75	583779.75	409882.4063	335314.625	325810.8438	423676.8438	291980.8125	284356.4688	443026.875	303063.625	311129.0313	552163	206962.0156	387141.4063	488458.0938	240461.125	356137.0625	414898.2813	381465.6875	447527.8438	416885	362583.9375	484758.9375	417491.75	321290.1875	117574.5547	148945.6719	415864.6563	249043.0781	508709.4063	295022.0938	134202.625	165669.4531	49982.02344	417236.7813	489805.0625	248744.3281	388577.5313	398079.5625	273178.3438
PC(36:3)	139169.6875	262953.5938	152746.4063	372963.0313	208019.1406	383913.9375	92081.86719	419153.0313	88882.91406	172810.6563	135878.4844	165424.375	79119.77344	65099.12109	326800	111554.9297	132233.4688	201907.4063	116055.0078	159344.1719	340107.875	394110.9063	483600.4063	293227.3438	68170.19531	107059.6172	110232.0703	156696.0781	77980.21875	135216.9844	404567.1563	105253.5703	140122.8125	453107.0625	323455.4063	195860.9219	127829.2891	75309.53125	169132.25	131992.6563	172632.9219	349464.9375	210665.4844	194675.9219	155628.8438	445177.625	414091.5313	318480.0313	141909.4219	137592.9375	439847.125	305611.4375	170880.5313	289673.125	288756.75	233198.7969	490067.0938	187559.5938	209315.3125	168845.9375	99890.625	178159.1094	166366.7344	90359.10156	199095.75	220742.5313	127825.6172	430992.6875	181723.0469	125149.4063	161536.6875	125311.3906	100073.2266	27181.08984	146457.3125	348450.0938	376258.0938	441779.5938	147253.3906	228960.6719	376466.6875	129584.9688	131907.9219	181824.6094	195277.2344	527024.6875	405259.875	135022.2813	359279.0938	188389.1563	137842.0625	259568.3125	106824.7969	136916.7656	162421.2969	127966.2813
PC(38:3)	306419.9688	338927.0938	339813.875	245543.1406	345155.25	508359.5313	426673.6875	267714.25	437157.3125	287005.125	265813.375	492994.7813	196267.9219	286057.5938	313242	439237.2813	391992.4063	333271.125	255281.3594	354972.9375	416526.2813	435440.8438	260866.6719	275557.1875	188147	245251.4375	525335.25	291920.6875	274829.9375	322806.5625	268988.8125	284899.4688	397502.625	319077.0313	332359.125	514408.4375	295160.375	411918.5625	390666.0938	218347.1406	363422.875	386143.9688	324179.0938	440805.375	323761.375	246876.0625	343877.3438	330627.125	370851.0938	269763.7813	464541.3125	227050.8906	323085.4688	357122.25	269855.4688	387780.8438	715276.25	322379.3125	376859.875	357931.6563	161999.4688	243322.6719	379199.0313	207339.2969	300125.1563	293450.8125	239398.7031	448573.8438	269113.7188	227373.6406	277900.9688	331776.125	323799.2813	294407.3438	403558.0938	276723.4688	262643.7813	391589.1563	305989.5625	296493.5625	479648.3438	406590.5	292597.625	378101.875	207028.9063	280825.125	349369.3125	236803.5469	256577.4063	274512.3438	231972.6563	251337.4219	281929.8125	292640.6875	204337.7813	284919.5625
PC(38:4)	360859	439602.5313	562317.25	462343.1875	761974.125	467932.75	617567.8125	756749.9375	879707.3125	254415.375	364560	478531.5625	185670.4531	362972.9688	309719.4375	283905.75	343055.4688	311857.8125	249801.2188	458659.2188	256320.3281	430261.375	451513.5938	549898.8125	321871.4063	412160.4375	616062.25	272311.0313	327226.9375	349835.125	382989.0625	473053.875	919432.9375	413079.6875	527197.1875	869118	527232.4375	813069	524851.875	376942.6875	357725.1563	338264.8125	323262.4375	753170.8125	409827.375	333789.8125	714699.875	338693.7188	1036479.063	273184.9688	384767.2813	250018.5469	317461.25	421938.7813	555170.5	490711.7188	741824.4375	436107.5625	501582.75	676440.625	254894.5625	671667.375	420654.25	340200.0313	441651.2813	270244.2813	196858.5938	576670.9375	310542.4063	362220.5625	409115.2813	439255.5313	571545.3125	276367.6563	379768.0313	407658.5313	444173.625	665930.25	563657.5	426396.75	415770.875	838625.375	460130.6875	446822.2813	393435.8125	757909.375	692205.875	309037.1875	423032.8438	463799.875	363081.6563	357274.5	589910.125	509137.4375	412528.75	461191.6563
PE(41:4)	96334.96875	73068.6875	282073.2188	278580.6563	231596.4063	295313.1563	68659.25	26342.01758	135194.5625	47360.64063	30599.98242	109692.3516	151934.5	249726.3906	240254.4375	209957.3281	234930.7656	308080.4375	99928.91406	240896.25	256320.3281	67189.94531	86297.35156	89806.96094	54950.39063	88805.1875	87141.01563	82024.15625	64922.5625	117578.0625	95210.89063	88628.99219	192669.0469	129593.5234	163860.0938	203464.6406	184808.2188	254430.6719	240312.3438	58401.67969	49029.48828	291184.0625	223762.25	238344.4688	273685.8125	216425.8281	211843.0313	281108.6875	225559.3125	251201.5469	322872.5	152222.8906	204742.0938	251508.2813	150960.7656	120819.9375	233949.3125	250116.2969	253013.9063	265978.5625	83494.15625	119004.3906	185211.875	146200.3281	238598.2813	270244.2813	90838.39063	92519.98438	91997.85938	191271.6875	242076.3281	203253.4219	210555.5938	208328.3125	265875.3438	146974.2813	275515.9688	105945.5547	240777.3281	242308.7969	302585.3125	51371.26563	117411.8438	172254.0313	37136.19922	83753.01563	97690.07031	83007.28125	89467.3125	139424.2031	151045.9375	214791.9219	120897.7266	102119.9844	87200.92188	131841.2813
PC(38:6)	87217.64844	151000.2344	169119.4063	74363.01563	135176.8125	81276.96875	195344.8906	161523.9063	216677.8125	148535.4688	141317.3906	266454	111935.5859	204641.3438	123417.3281	99001.25	54013.72266	145060.2656	143544.0781	281506.3438	363927.875	135722.1563	209155.9219	110739.5469	129532.5547	146408.9531	277790.9375	63982.14453	149389.375	108647.5	154326.7969	158596.7656	384592.6563	118052.1094	61622.00391	163742.1094	81705.69531	185650.6875	182769.875	241661.6094	235595.3438	333043.5	109404.5078	268807.625	154647.2656	119651.1094	141964.6094	130322.375	118048.375	79260.6875	162162.8438	128243.0547	56891.52734	86675.41406	207811.3438	90009.99219	113882.1953	130319.125	164078.375	237851.2344	63246.17188	81444.92969	76213.5625	81606.42188	173879.6094	175449.625	117570.3125	259500.4219	156774.2188	179875.75	245703.9219	286033.375	153370.3594	152916.3594	213581.1094	132996.625	185906.5781	326873.2188	64933.19531	58271.70703	154358.1094	156885.9844	138409.375	282106.4688	141210.2656	218608.0781	184034.9219	167534.2813	130118.7109	122873.4922	137569	194765.7344	174636.2656	259147	252457.4375	358150.4063
PC(40:7)	92848.03125	77405.82031	166908.3438	149331.5625	148418.2188	96591.90625	149446.5	122197.6563	143214.9688	118415.9297	115406.3125	140316.4219	120368.125	133020.5469	143775.5781	174902.6875	169593.1406	136179.9219	106830.4922	194165.2031	171009.625	150208.3906	125883.7578	105168.5234	82376.63281	103503.6484	154412.8906	157013.3281	93450.84375	191130.9375	104912.2266	87850.32031	174649.375	155943.1719	155917.2031	153278.5313	196082.9063	124818.0391	130401.5781	111473.7891	171345.1094	143555.4531	219733.1094	104758.7813	109822.5156	139652.3125	191634.5469	100312.3125	173800.1719	165481.2188	148624.9688	154747.0156	117233.4609	175211.7656	137487.5313	162377.2344	157643.5625	110174.9063	188076.7188	119375.8203	93577.14844	194004.7813	155289.4063	135213.1406	244176.7188	143936.1094	108207.375	328974.3125	123847.6484	111973.2109	243646.6563	121698.1172	125948.2031	74829.42188	153193.125	124028.8359	132924.7656	170966.9219	169361.9219	100445.2266	221448.7813	80140.125	165433.3438	149750.2656	102534.3281	171511.2031	166659.7656	153246.8125	166738.375	101294.7188	248517.625	143297.7813	102738.8984	147319.0313	187699.3281	159389.6875
PC(O-32:0)	105758.5391	67814.84375	137134.9688	132634.1719	104050.8438	157504.0625	134527.5156	165334.2813	165807.7188	151922.4375	107455.3281	196379.7344	85635.82813	131392.1875	131690.9063	137483.7031	156625.7969	147630.9531	130843.25	137794.4688	186137.7188	100823.5313	159274.5781	94898.5	78512.19531	111881.0156	141951.25	110633.2969	120088.1484	179836.8125	76602	175806.5469	117583	128066.2734	80978.67969	187867.4063	149574.3281	130069.3281	119187.0625	132435.5469	227323.4688	212148.1875	184277.4063	203528.3438	131165.4219	139091.1875	211779.1406	130176.1563	133362.1094	220915.125	133522.9375	138548.3594	90304.70313	121004.4063	100513.3828	159851.7656	169109.8281	117531.9609	149736.5625	137404.1406	134109.1563	166247.7344	121806.75	68709.19531	182645.4688	145135.2188	83637.60938	216145.4375	127471.6563	122025.8672	187499.6094	187268.375	84711.28906	158809.8594	104696.2031	96577.19531	115910.7109	163604.1875	116509.3438	127758.0938	165127.6406	62159.56641	172296.5938	116777.2422	111517.0078	163072.2188	185103.75	121536.7422	90266.13281	97947.35156	166218.3906	109938.0156	135403.4219	122468.9688	131242.9688	162153.0625
PC(P-34:0)	266444.4688	277088.8438	433957.625	331218.9375	305396.1875	540772.0625	369919.4688	535823.9375	612220.0625	421571.625	281781.4375	487514.0313	245354.5625	275826.875	430090	330150.4375	478059.5625	399535.6563	448473.0625	304989.3125	539608.25	218695.1094	359251.125	408678.4375	259682.1719	397645.625	290591.9688	256531.3906	357514.4375	574554.5	235459.4063	401919.4063	393062.9688	369885.7813	324227.0938	527202.6875	404890.5938	346015.1563	435085.2188	373902.0938	477868.75	501785.4688	380511.0313	486432.75	381610.1875	352694.0625	430607.0938	413562.1563	417398.25	486640.0625	384643.4063	420164.7813	339548	412365.7813	204811.1406	513034.7188	514885.4063	330445.2813	446726.375	416799.9063	299524.9063	331609.0313	460606.9688	223554.8438	512055.9688	460402.3438	254214.7656	558095.75	484618.4375	282196.75	499414.5	197852.4375	280122.0313	450018.5313	319021.3438	227740.8125	361523	533282.875	283133.25	329899	512875.2188	201828.125	278161.9063	432922.5625	212157.4375	340910.625	634167.3125	337566.8125	572267.625	400172.9063	711458.375	573023.3125	332143.4375	434883	373958.875	458572.875
PC(P-36:1)	132944.8281	234459.5313	159083.4688	131262.0156	205225.0313	175367.4688	164992.9219	197434.2188	164042.8906	161015.9844	159405.5781	146323.3125	107389.9922	116875.0703	171770.7188	140892.9219	188877.5313	148801.4375	178359.6406	247519.7813	172505.7656	233319.4688	170104.625	141670.9219	82874.08594	157357.3281	162712.75	116521.2344	137673.1563	221227.75	68023.27344	144054.1563	140532.2188	180976.9219	117940.9609	184461.9219	191332.9531	156312.7344	178277.1563	177921.7344	175090	172689.0938	142016.9844	333782.5	146250.3125	188002.0625	172096.7188	125207.375	209873.4844	154776.625	184658.4531	157334.6406	140320.375	174454.2656	125472.2969	202504.3125	220767.625	145270.875	87512.23438	185247.6406	134148.4688	161056.1406	173337.1094	114353.5391	172964.7031	141416.7969	86222.32031	310557.0313	189385.7188	124805.0234	113877.5391	144645.0313	101652.2578	132611.4063	123657.3594	106437.0313	181269.0781	177186.6875	122000.3359	202975.8906	244696.7969	84382.1875	151916.7188	201834.0781	98470.1875	158454.8438	208943.7188	154023.625	148920.9063	134875.0469	191091.4063	193185.7188	94038.35156	186003.9531	129808.6641	193185.0938
PC(P-36:4)	96025.67969	137621.25	140424.0938	168096.7969	133894.2031	172865.0469	154927.4844	141681.6719	186940.4063	124924.8438	107805.9219	131812.2813	135304.1406	241930	147699.1563	170462.7344	139738.2344	114444.7891	150419.875	210094.3438	214584.5313	207530.6563	190024.1719	155841.125	86917.91406	123206.0938	143197.4375	117388.25	133588.5156	135713.8594	101225.1797	190341.7031	127838.3906	139873.9063	125411.1406	147444.7656	146267.25	251053.0625	115082.3828	159441.8906	240275.9688	217551.4063	199805.2656	306874.0313	172158.8125	197383.1563	190855.3281	197588.9844	183061.2969	150749.5313	146448.1094	86943.19531	118385.5938	106233.6484	119016.2109	201160.7344	236194.1875	121894.7266	114007.7891	174648.6406	139874	194864.2813	139070.625	98799.24219	148875.7969	149690.5313	147410.0313	331251.1875	168996.1875	123988.5781	137110.9688	125006.4141	185293.5156	124375.2109	158584.6563	125828.0703	99911.875	114006.2656	221002.7969	153347.0625	170112.7813	109792.9766	150151.2344	165198.2969	83468.08594	149659.9844	140858	160323.6406	155856.8281	144115.8906	206418.3125	235265	110526.1484	230681.2969	255519.2344	157407.4531
PC(P-38:3)	179413.3125	276089.625	214049.6094	172252	200931.5	239328.25	275248.2813	253808.4844	320980.2188	123352.25	108203.4453	186474.0781	225099.125	180880.4844	265079.3125	261474.6406	289778.2813	238688.7656	278704.125	232634.0781	386265.4688	162831.375	264100.125	186165.0938	121198.9844	111427.0625	179043.1719	148345.875	208484.1719	267540.4063	112456.4141	240039.6094	153646.1563	251011.1875	218560.75	302182.1563	317133.5938	222237.2344	280452.2188	245913.875	249385.0781	257469.8281	406517.8125	360589.3125	207244.5156	216107.3906	280497.75	205848.1406	229633.1406	235428.4219	250601.3438	157400.5781	192626	198840.1719	204558.6563	231058.5	223861.5156	169152.7188	264202.875	231416.1719	177727.0469	221063.0313	293607.1563	195031.8594	274015.5313	304540.25	132072.2188	542363.1875	245509.8906	207073.2031	201740.3594	223480.6875	156407.6094	225170.375	209669.4844	134575.0469	249950.9063	274499.6563	181906.9375	289759.4063	332845.2813	108807.0703	233388.0156	168230.4844	174483.4531	153888.1875	360714.3125	259829.4375	198798.9375	196407.7344	415429.9063	351908.1563	186244.0156	303195.1875	356143.25	218662.1406
PC(P-40:5)	45503.49219	36108.94922	79560.98438	63568.47656	43268.91016	81446.19531	96763.875	51725.62891	105403.8203	66728.61719	48735.64453	82087.75781	64438.08203	103418.3828	98417.10156	89482.75	147233.6094	113013.0859	69255.91406	121908.4141	96453.66406	55158.50391	55192.73047	84076.72656	28534.16406	66628.63281	69482.79688	52656.21875	49426.13281	100026.2891	51748.69141	56303.42969	60647.75781	52262.96875	39515.05859	114856.1797	99099.00781	77191.70313	92476.64063	84688.03125	117335.1719	113044.3594	132151.1563	80778.46094	74011.16406	67642.98438	159344.7344	80116.32031	94210.32031	74418.88281	90052.79688	88715.04688	0	76442.67188	120286.1016	138136.1406	93741.78125	49500.79297	0	102469.25	64757.91797	65527.36328	144891.9219	54286.04688	85734.91406	72201.45313	57373.17188	192786.5469	72534.47656	41415.46094	75898.15625	76641.89063	74982.97656	42697.86328	83124.82813	61405.35938	79289.46094	98867.60156	37191.66797	49494.15234	97821.1875	27991.33594	105472.7422	78734.85156	62255.87891	119548.2266	140691.0156	95834.77344	123768.5234	66086.55469	143184.3906	74762.26563	69045.30469	81747.80469	101221.6484	97393.375
PE(30:0)	196833.5	214028.1875	225813.875	186759.9531	161954.4688	217561.875	219470.1094	214302.2969	207146.5156	209227.9844	205337.6094	245185.8594	200427.2969	209136.0156	227773	200181.7031	235488.2188	192431.6094	205478.6563	197887.9219	225345.3906	199012.8125	211037.5156	219289.7969	186572.1563	210872.1406	209781.625	188486.1719	190508.125	207500.2344	184935.0781	199188.1719	216204.6875	206575.9063	246672.5625	210864.4375	199151.2656	202236.0313	236877.0938	230061.8125	200214.375	179806.0469	184877.3906	162998.2344	140884.4844	157948.75	193239.5781	170759.0313	203243.5938	204010.4219	221686.7656	179925.9531	207224.0781	209255.7813	221121.75	184767.4063	195124.5156	162098.75	161157.2344	203568.6563	180994.9375	187886.4844	199964.9688	185384.5938	216296.9531	239220.3594	143856.0313	181939.4063	140732.5156	188766.7344	157082.8906	170254.125	203883.1094	191464.2344	212810.5156	205125.1875	190988.1094	226027.3281	222346.4844	212587.8906	201020.6094	213832.3281	192624.2188	214975.7344	155219.6875	159903.1563	149243.2813	216567.3438	205111.125	200832.7188	214859.3125	199849.7031	225024.9219	209690.3594	229639.4063	220071.0469
PE(32:0)	208347.6563	254554.4844	303202.2813	285832.125	311532.125	389631.6875	307921.375	354180.7188	386020	248149.5	282566.7188	417087.8125	152677.3125	276275.4063	193596.0938	145771.4375	253888.4219	260261.7031	126530.3203	236495.2031	260782.4844	229821.6875	231142.6563	435903.875	153011.0156	265580	342154.5938	207423.1563	298494.7188	340607.5313	187199.6563	251443.4375	379895.7813	241358.3281	231559.3438	424793.2188	232902.0938	206165.5313	280835.7188	205636.6563	217790.375	305451.2813	214232.2031	285485.7813	387640	221431.7656	196829.8281	330382.1563	188505.4844	239840.25	353241.125	171094.9531	274931.8438	312615.7188	230800.7344	266269.9688	402662	220481.3438	256301.7344	351731.3125	87309.54688	198946.1406	251905.8906	163276.75	243718.1875	255754.3125	171292.7656	291705.5625	220149.2813	194788.9531	263201.7188	278335.5938	258162.7344	348646.0313	334172	229630.7188	250005.1563	338696.0313	309926.4688	298513.9063	337135.8125	195051.1094	303331.9063	371261.6875	108622.7891	208314.125	288780.625	226329.9531	227027.0156	227158.2188	260166.9688	213569.9531	325686.8438	224946.7344	228714.8906	340614.25
PE(32:1)	236312.3906	286759.375	267229.25	305281.9375	308354.4063	323217.75	310348.75	339011	289803.4063	245940.7188	302478.4375	405619.8125	189401.7031	307095.8125	195833.0313	202803.9844	299609.0313	278448.75	139960.5	296768.3438	253175.3281	237488.0781	285785.1563	393761.4375	153036.6406	276277.1875	299435.4375	211706.75	310496.6563	326834.5	197698.2656	246525.5	324117.8125	321890	305327.1875	325323.4688	294470.625	270009.7813	282210.5	219075.1406	260790.5313	288856.3438	250467.5625	287373.5625	355999.0938	283260.1875	248428.0313	310938.7813	201562.5156	322827.8438	279984.6875	174029.0781	299892.5313	293706.2188	235702.625	284626.5	357508.6875	230124.6719	257766.6094	327821.5938	108649.3984	229203.2344	319095.4063	198265.0156	272409.3125	258288.0313	243023.2031	353597.5625	227960.6875	250423.2031	307031.7188	223536.9375	298952.625	362123.0625	265023.2813	269310.5313	291583.0625	319916.25	322507.75	286732.3438	304786.8438	206714.5	281464.8125	297231.5	142926.9063	262787.5938	261440.8281	257988.4688	303625.7813	220115.9688	278272.1563	250970.6563	311192.3438	288054.75	259833.9844	319457.4375
PE(34:2)	503566.4375	544653.5625	334451.2813	475497.5313	472783.5625	210254.0313	451055.4375	454211.875	301411.4375	455196.9688	480863	310549.6563	259766.4063	382799.2813	145927.1563	270647.375	231367.5781	181135.8906	190893.9844	435996.9375	200010.9375	331640.5625	292256.4688	206505.5313	358458.7813	401203.0625	318529.875	499781.7188	426857.5625	333843.3438	493493.0313	450356.0938	359155.9688	535246	545587.5	329893.3125	339028.25	344498	191291.5469	301299.0313	281169.0313	171528.75	359727.8438	359927.7813	178465.2969	318355.0938	383053.0313	209480.25	577360.3125	407614.3125	282887	423935.9375	376505.1563	349147.9688	488201.375	443419.2813	429394.9688	527988.0625	425872.25	274111.1563	218188.3281	302483.5	214574.7656	268983.8438	395690.2813	172071.9375	233477.6875	427838.9375	169934.5781	289654.5625	345276.1875	152743.7031	499056.1875	530075.1875	309173.1875	501260.5625	447142.1875	335009.9375	592244.6875	452366.6875	303205.2813	594120.1875	496167.5938	372903	241579.9219	394554.3438	151034.2031	343558.25	324709.2813	178758.9688	313522.875	368211.7813	159769.0781	351386.4063	296839.75	187529.25
PE(36:1)	385366.1875	347888.9688	390048.1563	331398.8125	388009.5625	339299.2813	463574.125	389230.75	450237.75	500037.375	439625.8438	488065.2188	171135.6875	175444.9531	184531.9531	205268.625	266002.5625	189214.5469	143885.5313	181849.875	241352.7031	271092.9688	204113.9375	194048.75	325481.5625	349616.6563	391810.4063	385659.875	402139.4375	421516.1563	446856.5938	341782.125	558787.5	654409.8125	504509.7188	453222.3125	210160.8438	206364.5781	186557.9375	215277.9531	223006.7656	256742.9688	279876.625	226382.2344	225645.0156	228916.125	177485.2188	197997.625	412705.25	335667.3125	386290.9063	382887.375	315226.125	338324.0625	507610.1563	411248.5938	436575.75	370301.25	417610.75	346298.8438	147432.6563	234484.9219	127977.0703	147312.8281	218066.8281	236603.8906	164381.7031	258451.5469	192374.0313	203268.8594	191223.4219	194920.9844	389021.9063	372063.2813	365551.8125	403431.5	371811.3438	456927.75	523222.0625	349061.625	448746.0625	445619.0938	410056.4063	537916.75	148569.875	222118.4844	222241.3906	238216.4531	282144.1875	247321.7969	222107.2188	256296.8594	217394.7188	224064.8906	199416.9531	233043.6563
PC(33:1)	198710.9063	180200.5	208362.9531	218672.2031	225146.6563	147334.6875	253533.3594	240936.4688	249203.3594	259052.5625	246909.5156	208596.9688	86973.00781	127607.5781	101528.1641	137835.3438	135532.2813	143401.375	62444.84766	120012.3125	110782.7578	134393.7969	119622.4766	106120.1641	195270.625	181874.8594	246726.1094	202898.9531	250550.8125	225238.3125	281576.4375	250745.6094	257360.3125	458533.7813	307060.0625	331946.0938	125877.6484	137504.25	113432.5	139112.8438	126946.9453	118228.7109	134250.2656	123327.1719	124703.4297	141973.6719	122038.2031	107083.1563	260987.9219	185336.2813	226121.1406	156234.9063	210705.1406	265295.875	280630.125	228312.9844	246639.5938	307407.5313	217087.2813	272047.625	78452.125	137470.6719	59992.45703	100718.3438	143089.3125	127680.2266	105054.6797	148996.9063	97173.48438	122453.8125	125775.4609	111653.0938	220709.4688	226117.3125	197830.6563	220748.4531	234342.4531	234171.2969	300618.3125	233251.1563	212259.7656	158369.2969	169922.5625	262498.5	80447.45313	146217.3125	131889.0625	124074.5547	137131.0469	108771.4844	125050.5078	128709.4141	133698.375	130179.3516	122126.6641	123323.4063
PE(36:2)	172347.6094	315607.5	193314.2031	320339.8125	298765.75	300448.2813	343058.0625	214542.5781	257896.0313	263714.7813	379902.9688	289083.1875	212875.4688	313035.6563	188451.0313	266282.4688	308951.7188	255075.6406	185044.3125	341457.9063	234468.9688	314064.875	361924.5625	222311.2344	259618.25	373641.1563	278776.4688	371520.4375	345279.5313	330507.375	366183.7188	314662.6875	341829.5938	558817.4375	432489.6563	404049.2188	197854.7656	146100.5313	121925.7813	301673.0938	270414.25	233267.0469	266654.625	307052.0938	225721.4219	301663.875	264958.2188	215346.3438	370601.0313	336986.4688	329729.5313	284961.5625	322776.0313	319268.6875	369513.125	385978.8438	299935.4688	397432.6563	354799.625	350444.9375	175816	325493.125	200615.3281	247370.9844	310750.6875	238321.9063	210042.9531	287567	180388.6094	199483.5	285887.7813	205038.8125	327834.5	348982.625	274327.875	308782.9063	346134.5625	334042.2188	444894.6563	363336.7188	329309.2188	368245.0938	345075.9375	462513.25	176588.7969	313700.8438	226752.4219	293126.0313	315711.1563	230281.8438	318980.25	288571.7188	228526.9844	287093.2813	284790.0625	224856.2656
PC(33:3)	144583.1094	159269.9375	147337.3594	217345.0938	143513.1719	130666.6719	185362.375	176580.9844	151592.6406	134585.875	143726.5781	143336.3906	110657.8984	160866.9688	90953.67969	146318.7344	158525.9531	81082.38281	73654.97656	153397.4688	81909.80469	160480.5625	174716.625	86121.78906	143055.0781	178231.3281	115048.4531	177024.75	186699.7656	125168.3906	109595.2031	161916.4844	158536.0781	243397.0313	210511.5313	188009.9688	141259.625	162607.6094	92517.21875	134081.7031	141335.7344	96249.58594	168849.5938	145234.8281	94771.70313	152312.5938	137472.6406	109166.9453	142706.4844	178945.1563	137745.2813	151180.4531	168191.0156	139364.625	177896.1719	170176.7188	121571.5313	212163.6875	194548.6406	133057.7969	94427	144617.8594	106979.5703	119728.1094	147826.875	86558.96875	164538.6563	151793.7188	66242.03125	136110.8594	157992.5469	89964.73438	146523.9844	157181.9375	146670.7656	162770.6875	185094.7656	153660.0469	113965.3125	172529.3281	141827.5	177576.4531	184644.1875	160786.7969	103066.25	162865.9688	122278.9297	146562.7813	154367.625	87968.97656	139916.8125	158528.6406	99327.78125	142479.1094	165460.9688	112861.6094
PE(36:4)	144286.0781	122409.1875	142905	297786.8125	249758.5	315864.4688	237038.75	181861.8438	137578.6719	257402.8906	257392.375	351437.375	111514.1484	175514.8594	134461.4688	133291.4531	153307.7344	146910	110197.7656	92385.95313	152206.0625	226620.4844	241264.1406	144506.5156	116287.1172	165274.2813	160202.4375	150087.0469	132632.2031	169678.125	233491.2188	287590.2188	345858.0938	223618.3438	201437.3906	167158.7969	232359.2656	267951.3438	227782.625	122082.8984	127021.5469	289526.5625	120100.25	139787.8594	127682.2578	248059.6406	218111.6094	275370.375	121053.4844	155528.3594	129516.7578	126840.9297	163536.7969	217743.5	223086.9219	219140.2188	313401.6563	146280.1406	140329.8125	178390.6719	157743.8594	235506.6563	230721.75	103886.7656	169901.3281	261392.8281	117452.2031	180011.125	115318.6094	124159.7891	191375.9844	219648.9375	120763.9063	100331.0703	168591.2656	115650.1797	266850.3125	170091.6875	225016.3906	207305.0781	162665.0781	211514.9844	211178.6719	229994.7969	73624.03906	146072.8438	190729.1406	289125.8125	188151.5469	155700.4375	138131.2813	142525.2344	145290.4531	252167.8125	260633.6094	282461.875
PE(36:5)	267869.0625	306147.4375	350065.9375	358544.4063	326580.5625	313486.625	276151.7188	339476.3438	374312.2188	402586.3125	340445.8438	282775.4375	187398.5156	208083.9219	241842.5625	204337.3906	266085.3438	253649.6719	174859.3594	210226.9063	321465.5938	176301.0938	284187.5	230585.4844	252186.4375	352989.625	365932.8125	419724.9688	457369.3438	364397.8125	266953.4063	472883.6875	395159.6875	344214.8438	340274	347957.3438	288994.0938	229723.7969	326877.4688	242182.5938	260354.4063	334606.4688	230520.7813	237391.2344	247400.5938	262437.9688	239471.6094	213871.5625	378791.125	438771.2813	392858.375	381416.4688	327099.5	358086.7188	348714.3125	508817.5	329540.6875	314377.1875	313784.8125	440142.8125	176607.1563	229866.0781	296666.5625	151409.0938	268321.3438	273409.75	158597.8125	294576.5	252212.1563	149362.6875	242548.3438	204450.25	336221.9375	333872.4063	352836.25	312336.3125	478594.5938	406781	449965.8125	333709.5938	402229.8125	275711.3125	353553.7813	440767.7188	151419.5625	257536.0469	310890.4063	236218.5313	334076.4375	234138.4531	213303.125	307590.1563	260475.0625	246786.1875	270406.6875	236529.1875
PE(38:1)	357159.9688	237590.5313	236213.875	275025.1875	256558.1406	385709.8125	312336.2188	252031.0156	280250.5313	310197.7188	251531.6875	365374.7813	99285.11719	150669.4844	114380.0547	93901.69531	141184.7969	147140.3125	95026.54688	199721.6094	148848.2656	157350.5781	156974.8125	168919.4531	202609.7188	244232.7344	262168.0625	310764.3125	260428.9844	323934.9375	214725.6875	236154.8594	358592.1875	530880.125	266267.9375	505750.9063	154886.0313	217160.4063	135619.8281	139505.1875	187833.6094	175695.2656	154190.3438	201778.0938	123321.7891	108743.8047	137215.5938	133440.5938	323797.5938	262464.8438	317933.9063	299478.1563	293667.5313	336758.7188	291614.4688	294019.625	680916	338060.1875	328906.6875	312936.5	86345.4375	166383.9063	116735.4844	102253.3672	185653.8594	140538	102394.2188	140995.9844	106505.0469	115602.8125	140498.1094	176259.8125	233459.2344	279854.4688	363853.9375	283293.75	254913.25	363711.5313	361055.6563	278740.3438	278924.2813	366195.7813	303182.0625	345202.5625	93042.50781	211078.5313	119708.8047	146742.7344	147862.1719	120759.75	132266.8594	145182.7188	144046.7969	141782.7188	143611.8438	140688.8906
PC(35:1)	100173.2813	89728.17969	121252.7734	152137.8125	111728.1406	113643.3828	140959.4375	132649.625	140851.9063	113807.4297	98562.26563	113625.0703	46072.46484	53842.28906	45557.71875	56378.59766	75597.72656	47590.89453	36343.34375	55542.03125	53065.32422	82433.44531	56271.73828	49354.41797	77145.24219	89710.53125	105913.7656	140682.7813	120672.375	119198.3984	212821.9375	123857.9297	215038.75	347989.9063	182833.2031	226323.8594	59869.53125	86371.55469	48206.64844	66123.08594	59130.26953	67899.23438	81478.625	74562.77344	64761.75781	70903.46094	63405.07031	32861.77344	144245.625	103360.4922	121621.0781	100964.7344	120651.3359	152133.9844	130050.8828	109255.4453	138399.125	133718.5469	108351.5469	130855.9844	30494.92188	61350.47656	75626.375	42465.69141	62172.01563	53184.08203	33802.82813	79429.82813	50238.12891	54693.79688	74312.14063	48032.44141	125386.3438	84205.36719	112406.25	121328.2344	111403.5	131058.3203	153888.3594	114578	118564.1406	108200.0234	129375.7656	135976.4688	29232	72676.90625	55811.50391	69052.03906	77186.74219	46781.48828	61876.63672	66027.77344	64870.34375	75732.75	54889.01563	54325.17188
PE(38:2)	202239.9688	131072.8281	147759.7656	171978.3438	193118.8438	275181.25	210908.0625	169443.1406	146851.25	171296.8906	182940.7031	166878.375	104438.8672	164251.6094	104346.375	111078.0469	181763.5313	143457.9375	91120.65625	213757.3125	175923.3125	156351.4688	195994.2969	152618.9531	131603.9375	213879.8438	139600.7656	235055.2813	167053.0313	200553.6719	210777.625	173208.7188	186834.2969	270548.875	254029.625	259177.125	131697.8906	157711.4688	162849.2813	138850.2031	206793.7969	139502.1719	164852.8594	224607	146197.7656	125915.4375	164945.3438	106499.0938	237326.8438	161806.1406	175751.9688	158095.9219	163228.4219	190675.75	135445.4844	178797.5469	264399.5938	185350.0156	145244.1719	158599.0781	123138.4063	219855.6094	140225.6406	97191.75	120367.6094	134297.7656	120113.9844	136810.6875	93089.44531	120776.9766	170646.1406	152802.5156	171754.4531	232139.8594	168664.3594	159075.1406	156079.875	147889.5313	182617.7969	199347.75	137460.625	238119.6094	197710.25	209836.7344	122258.2031	216564.6719	117636.2969	186676.3281	169125.4688	111181.7813	207172.7969	239827.0781	145967.3594	189883.9063	147448.4688	145666.7188
PE(38:4)	299970.625	269296.5313	396896.7188	339446	307992.25	372268.3125	342667.2188	312988	354571.0625	337133.8438	312446.0313	440399.875	229685.7813	327407.125	287663.9688	268278.625	347158.875	342999.0938	137241.3438	322733.7813	347407.6563	321577.8438	306338.7813	307832.0938	213915.125	265184.75	369273.625	274587.4063	317032.4688	381926.2813	305627.375	322208.9063	400032.25	342002.8125	374007.0313	284415.0625	219080.5781	298844.7188	238007.9688	365771.7813	305292.625	356745.5313	274172.6563	269654.0938	335650.5313	306444.1875	294079.2813	336875.375	311730	293202.6875	413079.7188	264537.0938	268213.375	372310.0313	269414.75	270729.5625	358957.75	318070.2188	304452.9375	362335.8125	188142.6094	314618.375	269557.0938	144184.4063	174972.3438	319590.5938	272754.875	378891.8125	263335.9375	245656.7344	284417.5313	282373.25	298353.6563	341550.7188	370214.5938	250255.5625	307221.3438	399178.5313	322900.4688	357095.0625	378521.1875	249562.5313	324062.4688	429073.4063	191704.5	404926.9063	361703.0625	361113.0625	315864.625	285431.125	369735.125	351393.6875	378808.2813	292280.2188	287579.7813	339138.9375
PE(38:5)	213957.375	187536.8594	256670.7656	248578.5	230444.125	276894.6875	187377.0469	205022.5625	280421.125	152261.0625	66388.55469	189281.2656	162973.6406	220818.3125	208633.8594	188490.2344	201864.7031	223307.2969	97087.71875	219902.7031	219924.6719	184976.375	210490.2656	249797.5469	156538.6875	207777.3438	258365.2031	140370.9531	207179.1563	156044.8906	221954.5	188492.7344	243201.0938	261416.4688	265563.5	295754.0938	178862.8438	224075.9375	233728.1719	125177.2969	85129.46875	163630.6719	201252.9375	202081.125	227765.8125	198098.0313	191618.7031	226742.0313	263191.2188	211098.8906	278846.5625	89761.09375	223073.0156	145280.8281	214463.375	194706.1094	222751.8906	118767.6641	117807.8359	177481.2031	137092.4063	201988.8438	232219.0781	164408.7969	209028.9375	246182.9688	103832.9922	138305.4219	93871.39844	100246.4688	143387.9375	153103.2031	201582.8594	197289.5313	268804.5	168597.7656	239915.2188	310274.2813	212914.9531	228126.5781	248641.1406	176732.1875	243778.375	274724.6875	144428.1719	254783.3125	280187.25	255132.5625	225633	203890.3125	125788.6563	165309.9063	214360.75	213960.7656	117927.0859	147350.2969
PE(40:5)	216427.2969	252942.7344	355253.75	413578.4063	343796.875	302050	370635.4063	372138.25	372133.0313	373673.1563	369172.9063	349504.7813	184774.8906	291263.5938	351103.7813	245040.3438	380387.5	322716.8125	158002.3281	260907.1406	349406.4688	272713.6563	312458.2813	296476.7188	216300.3594	297855.7188	334139.375	330911.0625	313477.375	401364.4063	248545.4063	293874.8125	407015.6563	326447.6875	346917.6563	388703.625	109113.3281	300138.5938	326644.9375	291356.5	237218.6875	340016.9375	329364.7813	262015	331632.75	263977.875	287577.7188	277917.5	317263.0938	418102.0313	346618.2188	323163.3438	325677.6563	284934.5625	333991.8438	529797.0625	322721.6875	273424.1563	308702.4375	424880.25	233814.3125	293398.5625	297475.2188	169028.8281	328928.0625	336466.4688	110484.8828	444007.1875	231190.6094	179569.4063	216564.3125	309640.2813	260479.1094	323564.3125	378959.5625	237755.875	314567.2813	355553.5625	353407.5	307817.5	322501.5938	233789.7188	290017.375	347983.7813	196464.875	278081.875	365951.0938	293812.875	330641.4375	266124.75	297022.125	272927.4688	289673.5313	249097.4219	249567.1094	259868.875
PE(40:6)	230331.3594	280032.6875	453803.625	346067.5938	237916.4688	409457.75	308993.375	266766.6875	396591.3125	353289.75	357539.4063	374683.5	240684.7344	335339.625	489676.9375	316823.7813	412811.9688	474020.9688	219973.8594	351541.7813	490982.8125	273179.0625	307758.3125	416186.0625	182931.1719	274375.1875	456913.3125	272411.75	324834.6875	440796.5938	205378.7969	283036.5313	369994.6875	315255.2813	297324.5938	401347.125	338774.625	275983	503927.4688	373571.8125	320577.8125	567906.75	523057.3438	299818.9688	487073.4688	327652.5313	284756.2188	435319.1563	342708.5938	285786.5313	429521.25	234440.2188	239618.9063	355084.0313	341592.7813	408451.0625	463431.2813	263042.9063	267882.0625	531558.1875	296856.5	369035.2813	532890.4375	182404.2969	479093.7813	493243.2813	241163.1719	383041.4688	460695.625	225882.2188	268424.5313	479216.7813	263998.3438	277523.1563	634385.3125	238545.8438	284201.6563	561741.4375	305084.5	248643.3125	443832.2188	194955.7344	324792.0938	496875.9688	196418.5	412595.0938	550591.25	341402.625	358736.9688	412857.8125	364466.75	286192	408872.875	305670.0938	287213.5	396157.875
PE(O-38:5)	120688.7188	130538.7266	123704.1094	128463.9219	128391.0391	230280.7031	120905.9609	128552.2813	140891.6719	135018.4531	114536.9453	185061.1719	98991.24219	130038.3203	124147.9063	127598.0313	195950.5469	181969.3906	63798.33984	112736.9922	141332.5156	169884.125	119476.3359	129564.4844	94655.96875	126037.3125	157758.0313	120799.75	143745.3125	150303.8281	130452.0234	86538.49219	182676.75	154183.3438	127392.3594	176402.0781	156504.5781	150937.8906	147193.3125	155900.5156	110064.8203	76538.49219	193534.5	151558.6563	200071.3281	144283.2969	115713.3516	150925.2344	170359.7031	100548.125	155119.2813	117921.3047	135325	186902.6406	124813.1016	97071.375	145881.9688	133428.3906	121688.6641	155972.2344	102662.7734	153816.9688	71725.60938	167213.2031	116170.7813	152351.0313	125936.0234	179212.1875	122681	60351.8125	48322.15625	168279.2813	95722.85156	107752.4219	145616.8906	108648.4609	122790.5234	211011.8906	149494.9375	140294.4531	148762.3281	107736.6641	121875.7422	188832.3906	63293.52344	147387.0156	172063.0625	127611.9688	145165.4844	160695.9219	57122.57422	95873.14844	172198.5781	183465.7656	139365.3438	178377.5625
PE(P-34:1)	151232.2969	183446.9531	198295.4063	218703.9219	331851.5938	214146.5938	180928.1406	285786.0313	273607.1563	183826.7656	273194.5	248571.5469	192840.0313	212346.6563	292794.875	319850.7188	282895.9688	279224.8125	186924.6563	267430.9688	302390.9688	241345.7656	316513.3125	241051.7813	128648.4219	208023.1875	246209.9063	227078.2188	302346.2188	213948.2188	91270.27344	258505.5938	229692.0469	149759.2031	209848.9688	213950.9063	273136.4063	205143.2344	285615.1875	230915.5938	264719.375	308677.0625	320704.5	311066.2188	251782.1563	256524.1875	298687.5	234378.75	233254.1094	231290.5	253714.2656	246223.9844	172992.7969	219452.4531	189974.0156	316353.5313	234609.4844	208154.2656	212940.375	288107.9063	138764.2188	248370.25	164564.2188	183984.6094	244332.0469	275420.2188	179969.2344	356668.5938	270303.3125	192864.2969	233646.8594	274920.7188	192463.0469	207565.0938	213166.4219	148846.6719	242052.2656	280632.1875	164087.1094	192966.0313	353734.3438	143728.625	242921.9688	245373.75	185705.6719	277136.1875	311247.0313	186006.9531	317458.1875	202454	448573.7813	281151.5625	208236.5625	290702.125	301930.9688	225965.875
PE(P-36:4)	171289.4063	241342.3438	269795.5313	295270.5938	230278.375	357983.875	433055.3438	262757.8125	475029.2813	297877.4375	333224.0313	369533.2188	265518.6563	432378.9375	490740.875	280365.6875	303178.3125	667822.625	187070.7344	359261.3438	298977.3125	527229.0625	502561.75	605819.5	252954.5625	767340.4375	490480.3438	266407.0938	381632.1563	476818.5625	371435.8125	485487.9375	582702.3125	434415.375	454935.0313	326986.6563	361559.8125	319312	297138.0313	311443.75	291814.5625	343704.4063	521286.5938	600578.875	647111.4375	269608.5313	289983.5	231311.6719	516957.75	383335.8125	358384.6563	379580.7813	242774.8281	437468.6563	428161.625	222836.9844	277531.0313	252301.7344	252426.625	359938.5	221495.1875	306526.8125	571667.875	274433.5313	587804.6875	383731.0313	163042.1406	307348.9063	563127.0625	196850.5156	622897.1875	308091.9375	483923.75	273616.0625	315735.6875	414506.7813	278828.5	366839.6563	265209.5625	280462.0313	499043.875	189619.9531	247046.4063	375754.7188	444764.1563	448455.2188	297283.2813	286077.9063	390239.625	432387.6563	322168.6563	357507.875	293079.5625	646288.9375	403745.0313	339674.5313
PE(P-38:5)	321054.3125	236673.5156	338987.0938	451482.0938	598907.125	514490.6875	356575.9375	340009.7188	239456.7813	367034.6875	567296.0625	344222.6563	392081.9063	396038.25	212742.375	466712.9063	610980.4375	604897.8125	227738.75	444946.25	246750.4688	475773.8438	488263.6875	550571.5	401552.4375	392284.125	354879.5313	392466.9688	399361.8125	404395.5938	482865.1875	253849.8906	365152.7188	491674.5625	416570.25	525437.25	355031.375	525917.75	386718.2813	428453.7188	400831.4375	504558.7813	327428.3125	417564.5313	421414.1875	345727.75	388145.125	356537.5938	444219.8438	351082.1875	416395.25	256184.7344	301599.5313	357161.3125	470437.7188	511671.9688	557503.375	271270.2188	301861.0938	323415.7813	419693.75	608340.6875	580144.0625	339629.75	361880.4375	363357.5938	276930.6563	457245.5313	493638.25	384937.625	367571.1875	431604.0938	298523.25	330267.125	328652	511500.8438	518861.4063	624038.75	483038.2813	345717.4375	327315.5	343093.5938	339837.125	262682.7188	410059.875	411432.6563	294301.125	328409.6875	443348.0313	218911.2344	509468.125	616021.5625	576850.9375	384495.9063	629623.0625	448224.2813
PE(P-40:4)	244951.5156	222458.1563	210865.3594	289083.4375	292683.1563	234172.7344	285791.125	348531.0938	163007.8281	253212.6875	343571.5938	269029.2188	244229.7031	349760.375	214983.9844	297282.5625	302285.8125	281183.5313	178171.0781	348455.5	260457.2656	356838.0938	305792.4375	261091.3125	204316.9063	301046.2188	237004.7813	256656.1094	260667.5938	216191.875	218157.6406	273808.9063	253721.3594	296996.75	298995.2813	259886.7344	323408.375	303326.9063	251347.0781	292988.1563	334609.1875	180579.7344	357309.7188	353840.5625	257729.0781	333270.5313	323483.0313	219585.0313	363720.2813	295102.7813	258239.4688	220964.4844	261301.2813	235427.9531	245808.9844	270631.3125	254490.5156	272301.1875	270915.875	241750.4844	242902.9688	288702.9375	147766.5781	231528.0938	289736.5	237038.875	226673.5625	304184.2813	261825.8594	263157.1563	216806.9844	218262.4531	228112.1563	296951.0625	224427.8125	287336.5938	271984.7188	252558.1094	260766	258765.8125	208930.2969	267020.3438	228154.875	223154.4531	225248.4063	362409.1875	224987.1719	338656.4375	330855.6563	250969.9531	273151	374903.4375	242643.4844	361888.4375	344602.8438	260814.0781
PE(P-40:6)	289756.6875	256711.0625	433210.375	259472.2344	330347.7813	459958	275053	338028.9063	444109.125	308041.9688	388148.875	525175.5625	243944.0625	336840.1875	363688.0938	284330.4688	342858.8125	497775.2813	218241.2969	387684.3438	490674.0625	357798.9375	409907.25	471014.8438	227591.125	296457.0313	365043.0938	270254.7813	283276.1563	473731.875	255234.8906	271784.1875	445708.1875	289500.25	293479.6875	488584.9375	405284.4375	382682.25	527179.1875	302590.2813	333674.1563	495064.4375	353258.8125	355106.1875	511916.6875	282252.0938	428201.2188	456893.6563	262902.8125	293988.75	454774.4375	249404.4063	238284.625	473570.1563	269519.8438	275021.7813	516874.0625	297452.0313	306026.9063	456665.0938	236144.2188	374883.2813	358415.5938	244059.7188	361931.9063	542349.4375	308896.9688	284208.2188	457591.1875	254967.0781	365940.125	429889.6563	259058.2656	285961.1563	474989.9375	278737.9688	284829	555247	317405.2188	245344.6406	429059.8438	303744.3438	312181.6875	473962.2813	208973.8281	360003.8125	485056.2188	279032.5625	330805.0625	492515.3125	370571.1875	365551.0313	464655	430337.75	313188.875	523336.9063
penem CGP31608	64721.15625	32008.1875	147062.6406	63713.97266	66269.35156	121282.1953	61963.15625	72593.71875	88157.5	69493.16406	66384.25	124102.5859	122491.5938	113319.7422	124348.8359	125601.3203	103522.6641	170443.4844	73243.39063	88363.94531	90120.53906	110052.3594	113917.5469	109416.0313	45948.00781	49658.10547	124985.5	97603.22656	81317.9375	115330.3984	79070.03906	53561.51563	112649.2578	62340.27734	73470.34375	111198.3438	96275.82813	102027.3203	128754.0938	86369.47656	94052.47656	82177.21094	94460.29688	81101.13281	246311.375	78468.9375	69875.38281	156338.2031	77268.9375	39868.32031	140237.7656	55104.31641	56440.38672	133070.6719	98629.85156	50585.83984	67322.9375	83499.20313	52887.46875	98441.89844	92349.71094	72954.53125	160853.4688	56274.47656	63990.52344	162905.3906	87600.44531	115786.5313	100986.2031	71591.13281	104825.3438	151081.2656	45942.71875	46853.24219	85587.50781	53730.91016	57874.25391	107922.0391	90202.25	63982.75781	115044.0781	50919.43359	77608.89844	107609.7344	77034.64063	125176.3047	100627.3906	106203.5156	90843.99219	116027.9688	87623.39063	95173.64063	123564.3203	98777.44531	51784.28906	127255.3594
Phencyclidine	172871.3125	9341.387695	404990	51383.31641	29782.3418	20447.92969	30354.94531	33592.75	149412.0781	52739.21484	92566.35938	61614.64453	9347.265625	113102.2656	94266.36719	95640.07031	19788.18164	46236.75391	140876.5	23763.10352	15308.38477	19352.46875	239015.7813	17641.80859	31906.3457	243124.1875	15669.50293	132160.5625	21851.30273	40222.44922	21637.73047	63063.34766	111536.9609	65115.17188	100758.2266	158412.0781	63251.15234	59622.11328	9963.399414	127016.8516	74825.99219	15935.70605	65757.63281	10992.04102	58301.30469	54275.03125	29400.10547	39204.89453	61821.39844	59510.98828	35104.28906	35837.12891	84840.99219	35703.97266	192342.7188	42890.5	266099.8438	138405.2344	59968.60156	185120.2969	61214.73438	25201.58789	43301.05078	136275.5781	23134.48633	15101.45508	24468.65625	13128.63184	39644.44141	10995.42188	11556.35547	89502.58594	215960.0469	9814.25	80040.625	94858.84375	56981.91797	67845.25	159450.0313	195670.1563	181447.2656	44407.5625	46044.38281	89688.91406	57507.69531	46567.03125	242375.7813	99830.75	110069.6641	22487.33594	120055.5234	149828.7656	31462.73828	24586.98242	96553.07031	60793.71094
Phenethylamine	111024.2344	154568.9688	130461.6406	142332.6094	150102.2188	185929.9375	133486.75	136312.0625	161289.5938	132939.6406	131883.9688	128177.0156	126344.7266	133630.625	150988.2813	130433.1797	138881.9844	134125.3594	141802.9219	124791.8281	172891.7031	118899.4297	124801.4531	159748.4844	98496.14063	116488.6094	181339.7031	136175.5313	136521.5469	158918.0313	120811.6797	178935.6719	152473.5938	146064.7656	123154.1328	137195.4375	129451.3828	123078.9063	170789.7656	137573.9844	150814.0938	161921.6719	153703.625	127736.3359	166319.25	164610.2813	125173.0547	145116.0781	123269.6328	137712.0938	182270.2031	133084.875	131527.9531	138064.1875	120707.2344	143615.25	166684.0469	114576.7109	126573.5625	147696.0313	106369.1797	143361.7031	145487.2813	105840.0313	136407.0625	189694.0781	102497.6641	134653.5	136104.3594	114165.3672	145656.375	159841.7813	119570.7891	127407.8828	153646.625	110066.1094	159509.8125	155565.1563	135481.7813	126558.0703	153812.6875	107279.2891	130814.3125	148214.875	88992.1875	128773.9219	179368.8594	125241.4453	161370.6719	147801.1406	166400.9844	125794.4219	183403.4375	124563.2422	141042.3594	135976.2031
Phosphocreatine	58958.75	62118.48438	182457.75	62619.8125	55719.75781	138734.6875	81615.92969	36480.61328	167085.3906	66629.75	37099.58594	143731.5	120162.2891	116886.9609	299903.625	164419.5313	123535.9844	300266.5	140284.7969	90760.15625	290517.9063	125995.2031	109605.9844	264217.8125	63087.59375	57878.51563	192183.4219	57896.75781	62935.83984	151667.0938	60626.47266	40423.125	184284.875	72110.38281	43850.77344	154844.625	150057.5313	99436.86719	261558.2031	186885.1719	136101.6094	280286.1875	162689.4375	116908.6563	316885.7813	150220.9688	122397.5	262599.5625	81296.10938	52802.19531	155131.3281	54922.9375	57664.62109	157904.6875	65852.25	79194.98438	136190.9375	81370.86719	48523.58984	144527.6094	119861.8594	114027.3125	371487.9688	122777.1484	146575.2813	297580.5313	139009.9531	136703.4219	254556.2813	130584.8672	135635	266281.3125	106875.4297	56934.75781	177841.8594	75760.14063	52004.4375	169859.7031	41693.14453	44748.60156	120698.1719	79383.4375	45473.96875	151607.9219	129091.6016	100669.0703	280825.1563	120426.5547	129876.6406	268429.4063	150917.5781	138442.4063	315912.7813	154845.7813	117231.0625	278518.375
PIPES	1527619.375	1470103.75	1919715.5	1575641.75	1621212.375	1828083.5	1437270.125	1741031.625	1749532	1447510.25	1507746.375	1906429.125	1535198.625	1616184.375	2000335	1564631.625	1733820.875	2154351.25	1341657.5	1477507.375	1844546.875	1333504.75	1296123.375	2094417.5	1278462.25	1558877.25	1696302.875	1423812.125	1695032.875	1740340.375	1407653.375	1425143.125	1625102.375	1409938	1829505.25	1652491.25	1545805.375	1482580.625	1803054.5	1802985.75	1361201	1747497.625	1568492.875	1686472.125	2001075.5	1513392.125	1409263.25	1931589.625	1662864.25	1395926.125	1976542.25	1312800.5	1580561.375	1650360	1393635.25	1484412.375	1483754.375	1591196.5	1566614.125	1704318.375	1244958	1573851.5	2801713	1306968.875	1628055.25	1824834.625	1313505.75	1404527	1672938	1320640.625	1426410.25	1987716.375	1346053.75	1661183.25	1828547	1344241.375	1707530.25	1731277.5	1499261.625	1507328	1783127.5	1294772.625	1518834	1734127.375	1431412.5	1546463.875	2022734.75	1709782.125	1663095.375	1889789.375	1414418.875	1520542.125	1871404.375	1410906.625	1412274	2031456.875
Proteacin	47227.92969	48708.57031	0	34854.05469	18917.72461	58167.98828	17201.02148	40910.00391	58947.94922	21860.01172	30018.92969	22085.15234	110949.6797	46514.66406	123581.7813	83071.46094	52494.75391	75316.375	88584.82031	83953.42969	107790.7969	96840.86719	49154.75781	89458.90625	51898.61719	46899.10938	66307.42969	67519.75781	32358.91406	52783.49219	43992.90234	44135.19141	35187.125	0	51566.16016	43464.82031	46910.40625	67101.21875	116614.0234	65832.29688	109806.4922	135169.5313	141438.2344	90943.14844	161113.5469	71704.78125	67773.66406	113636.9766	18191.05273	28145.30078	59613.38672	61410.60938	33029.64453	67900.48438	48254.99609	44518.99219	52275.32813	0	0	56544.60547	87255.77344	109026.2656	97041.57813	90825.89844	43386.63672	70717.82031	85187.25	75630.78125	87595.74219	110543.6484	95835.41406	119092.0156	46096.47266	54162.16406	69023.07031	44716.51563	43309.69141	58746.07422	14225.7832	48195.31641	55852.03125	29202.74414	31920.7168	23228.39648	111832.2109	97609.3125	88957.39063	34711.79688	67337.9375	162375.8906	55270.02734	171338.9531	104045.2109	65042.08984	79395.42188	119444.2813
PS(34:0)	190450.7031	205521.1563	186017.75	226354.1563	220457.1875	201019.6563	190758.4375	207356.8906	166029.8594	282153.8125	207112.3906	199369.7344	109790.875	155362.5156	100545.2891	83622.39063	131123.7031	95291.00781	39587.37109	86208.65625	97997.72656	128950.0469	137124.75	122875.9219	139520.4688	195100.5938	205517.9219	232665	252223.9375	183865.1875	237294.7969	250979.2813	252766.9688	557634.0625	366194.0625	388827.625	166797.0156	108115.1953	101582.5781	124981.4922	84878.28906	117826.5859	109041.875	149566.9531	122363.25	125780.1953	84535.78906	98352.04688	186077.4531	229758.3281	198307.0938	174165.4688	239255.8906	259960.5156	247225.2188	220089.875	189826.125	194131.8125	198625.4219	202881.6406	43947.18359	108339.4609	0	106780.0859	103880.2266	93148.46094	114299.5	149188.7031	76340.78125	118846.1719	107756.8828	109633.3594	184464.7813	283091.8438	185568.4219	188854.6719	178995.5625	229921.9375	323299.8125	191923.9844	180125.4844	154875.375	262173.1875	193902.5156	69089.03125	136408.0313	158505.1719	137144.3281	139525.7813	82043.74219	165144.8438	113564.4453	106039.0391	149449.5469	106506.3906	114521.8984
PS(34:1)	336951.25	287351.8438	285163.6563	419390.25	356035.9063	374751.1875	374430.3438	388210.9063	288287.5313	326517.8438	317120.625	306828.7813	168895.9375	277654.5	117852.6719	169978.5469	253494.8906	150909.7656	182772.4688	306090.5313	121380.5156	255006.8594	245894.2969	172522.2969	211234.4688	317548.0938	288866.3438	250427.6406	401426.375	325111.7813	288523.125	326562.0625	397552.7188	541996.25	390118.5625	409510.75	208985.7656	223215.4219	150668.0313	203449.4219	254168.3594	177007.7969	211142.4844	266703.9375	206868.5156	214860.9688	225093.3125	127356.6328	234911.7813	356190.8125	309695	260546.1719	349123.875	275278.6875	347476.7813	315037.5938	358384.0313	292992.9688	316141.5625	296120.0938	108734.2734	233678.2188	109738.4453	158894.1563	249892	125842.5859	205757.7969	282204.5313	128117.2344	221703.25	317121.7813	111506.4063	397167.0313	404455.6875	283247.6563	345002.7188	287561.4063	417893.1563	437594.1563	373183.2188	273742.625	330934.875	325396.9688	309743.5	116998.5078	211375.9844	133411.8438	222361.0469	231283.8594	117644.4141	259567.9063	249404.75	169023.9375	237703.9688	245978.7969	140099.3281
PS(34:2)	86483.72656	90603.10938	42499.01953	83390.96094	96509.98438	57721.92578	93883.63281	106994.0859	46710.05859	73187.63281	86843.94531	50658.35156	30910.49414	52900.38672	21284.31836	31585.70508	53377.19531	25006.61328	36359.57031	56971.75391	10322.00879	46364.41406	49186.32422	0	46925.11719	75959.3125	69393.40625	78677.89844	109346.2344	82749.85156	77091.80469	100876.0391	72231.80469	112941.5625	86570	76638.11719	41896.12109	45651.71875	0	40257.67578	45580.65234	0	38836.78906	66497.23438	10686.70215	47344.84375	45616.63281	6178.623047	83842.44531	86187.5625	60784.67578	64842.11719	94123.98438	63380.07422	101672.7266	81281.75	67657.90625	76489.03906	75885.96875	57316.50391	24923.51758	49695.50391	0	30058.57617	52659.76563	0	47247.8125	65333.84766	0	40416.83984	65366.10547	0	110289.6953	103965.1719	51072.44531	102881.2344	86847.17188	67124.29688	103796.6563	88974.84375	53741	85437.84375	75279.78125	54672.68359	25090.16797	49592.64063	10708.39941	42826.05078	64312.3125	0	52609.66406	48065.92969	9130.012695	53593.08984	55731.08984	0
PS(36:3)	394628.125	395475.25	223908.5625	481225.9063	475477.1875	294220.2188	540400.8125	486140.0938	264664.2188	387461.5625	428196.1875	257847.2656	187099.5469	290564.6875	38893.42578	197804.0469	318555.3438	56534.04297	195889.3281	360153.2188	48237.01563	284291.3438	296913.3125	58121.96484	292420.0625	341085.0313	247461.9688	369852.2188	460395	314369.1563	406326.3125	458048.5938	368264.1563	670043.5625	561660.5625	443644.4063	280591.6875	245437.6094	48239.39063	274217.5	262602.2188	51570.33203	224374.6406	287439.0625	56587.00391	247202.5625	303942.875	50570.62109	316172.0938	410794.4375	262449.5313	323497.5938	503937.4375	270848.5625	364072.2813	447164.4375	294431.375	441382.3438	402858.125	285216.0313	121188.4453	270470.2813	55588.61719	200380.9688	312698.875	44426.23438	209719.8594	336464.75	40639.21875	277105.5938	305568.625	43497.53906	489144.75	523084.0313	282183.5625	487220.875	402465.3438	298781.0938	593206.6875	474563.75	320838.5	384988.125	431641.9063	262292.125	167943.2813	236357.8438	47342.48047	239149.0469	292843.125	40779.91797	301033.1563	267217.9688	52460.25781	281525.125	272323.25	57719.54297
PS(36:4)	173349.2656	182670.4531	155379.1406	222869.3281	194336.375	200992.2656	208323.5781	215091.3281	184755.7813	168346.2344	184284.4844	208582.7813	100027.7344	158410.375	104692.7891	90914.59375	143539.3594	125625.9375	108081.9375	174531.5781	100825.7031	126612.5156	142391.5	144664.4688	130834.9844	158745.875	166554.2344	164704.125	207759.3594	185185.75	161653.7813	186770.7031	225096.7344	267615	212204.9531	237384.0781	121965.1016	123854.1563	101811.2266	113589.2422	145344.6875	132094.8125	117508.2734	175342.9688	121891.2188	151679.1094	159786.6875	101831.5625	143118.125	196042.5781	178192.9219	135192.9375	207946.3125	167683.8438	185301.0313	215578.7344	205538.7656	209041.7656	167534.9063	210713.8438	54264.94141	151094.3281	122337.7031	93108.70313	150061.6563	112733.6406	101462.9609	194561.0625	109209.3828	90102.71094	170779.7344	94610.66406	237990.0156	227622.5313	205615.2031	187462.1875	189268.8594	192690.1875	260958.1094	201337.7813	154853.625	183867.7031	169373.3594	171705.2031	76790.5625	134892.8594	113443.2578	117682.0469	141127.4844	94485.96875	147363.2031	131017.4609	121587.2266	144925.4531	134145.5781	138017.5
PS(38:6)	208200.8594	211907.5313	165865.875	256881.5313	272148.5313	221226.3281	245070.2813	285809.9375	162669.9844	237221.6875	253590.8438	203454.0313	193202.2656	279228.5	141684.9844	173942.3125	283555.5	151611.0938	190337.125	297570.9063	160397.3438	205810.7969	289914.8125	182448.25	189967.3125	233606.8906	170153.7031	194412.9531	253227.6094	185690.2344	185992.0781	244901.6875	206997.5156	271771.8125	279827.7188	207319.0156	232410.1563	228477.0938	155341.6406	206216.5938	240034.5	150299.9531	206129.6719	321875.1875	218041.4375	289820.1875	278116.5	147934.4688	173648.6094	227362.2656	197661.0156	168787.8125	250090.0156	191134.7656	209851.4063	268858.25	215977.0781	225473.0938	246084.9219	200990.0625	109468.8672	240146.3906	233056.5313	202566.2188	243443.7813	131782.375	217833.25	294726.0625	127404	199442.2656	271258.2188	122408.7813	238902.3594	310676.8438	205535.875	205244.8594	215717.0469	188063.8125	326531.9375	265687.7813	142956.1563	186357.5156	290142.0938	189704.2813	172752	257752.3281	147699.2031	236560.9063	300931.0625	131144.0469	270236.3438	250060.2969	154029.375	258414.5	246122.5781	166017.1094
PS(39:4)	90406.50781	121831.1953	276394.9063	102726.8359	135293.2813	336337.375	114018.5703	118101.3359	297126.0938	112360.5156	92256.04688	316702.625	108763.0078	163853.4844	267044.8438	95228.17969	152530.9063	274864.5	101702.0078	108189.3516	283848.3438	140375.0625	149805.2813	382654.0313	84312.125	89368.58594	263170.3438	98377.44531	106860.4375	296760.2188	76195.83594	98359.86719	320924.5313	139670.7344	109511.5156	308042.2813	157396.9688	123706.1719	324484.3438	114740.2969	131363.0156	338196.5625	118090.4297	163202.1719	385996.2188	158238.8125	155942.4063	283326.875	87189.78125	94334.28906	290045.4688	68746.375	124894.6328	295864.5	95743.46875	96845.49219	296642.4688	93169.70313	106207.6875	302251.1563	59428.48047	128146.3516	379628.2188	111735.9688	164245.7188	247613.2969	113567.2656	177279.8125	238945.9219	115968.0547	137352.5625	255415.9063	99767.35156	132967.1094	277608.125	82139.1875	91534.97656	286815.625	125811.9766	109974.1797	293897.375	96527.57813	107628.8359	266115.2188	98158.125	144342	325864.3125	123562.7734	162096.8438	270230.375	139048	133385.2344	336257.875	134769.7344	140330.5938	347986.4063
PS(40:8)	169747.6094	217342.1094	63298.26563	203511.0313	245931.5313	86241.86719	194753.3906	248318.8906	88019.09375	231730.375	205900.3906	81596.60156	232841.9844	278362.25	78547.98438	167185.1563	264227.3125	69334.32031	183673.6406	318784.2813	77828.82813	220141.0469	309915.4688	95943.19531	160400.2344	198296.0313	64917.55469	171967.5	230382.5781	77643.01563	143438.4688	224290.2656	91819.03906	245745.7656	219999.1563	83911.14844	302947.125	238221.5781	71468.6875	233812.125	259444.4375	80267.79688	227606.9375	336946.1875	100977.6641	299150	299243.75	67257.03125	176820.1875	221396.8594	72710.92969	132496.1719	253669.7813	102257.9141	208327.5781	223611.3438	77703.72656	206441.7656	250391.6875	90957.27344	104720.3828	221672.7031	100687.9375	185897.4844	277466.0938	72624.41406	210080.6875	332967.7813	62177.26563	205026.6719	304469.9375	59685.07813	194859.0625	312917.1875	72633.71875	181166.4375	191719.2969	93688.13281	269256.75	211591.75	64184.77344	168266.5313	221652.0313	91305.90625	186106.1563	298202.25	71779.99219	226505.9844	297161.8438	63058.22656	280916.625	261406.1563	73083.86719	285458.0625	242634.1875	93153.97656
psicoselysine	53476.33594	37232.625	31752.74805	64571.51953	30402.94727	40970.41797	63118.39453	30286.8457	37094.66016	50488.32031	26991.4668	32413.45898	0	0	0	0	0	0	0	0	0	0	0	0	50439.04688	38377.70313	36992.87109	66721.875	40363.47266	46734.48828	111793.3594	60917.91406	89059.17969	159820.7969	90900.25781	102633.5703	0	0	0	0	0	0	0	0	0	0	0	0	48209.4375	30572.90625	33637.18359	62771.08594	46105.42578	44079.25781	73298.96875	47513.24609	41352.44141	92931.07813	44807.37891	37537.30469	0	0	0	0	0	0	0	0	0	0	0	0	66986.04688	38766.86328	33785.68359	76663.9375	40638.19922	45420.49609	103747.8672	54106.57813	46561.42969	102394.0703	46922.3125	46852.85938	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxal	34275.0625	42406.91406	35644.69141	36161.62109	28657.84766	103619.2188	65850.71094	44917.33984	140597.9688	59437.37891	52613.55469	174488.4531	34027.96094	55875.78125	104377.7969	41103.35156	39470.18359	109718.6797	76718.25	79779.76563	156620.4531	84936.1875	141399.7656	142091.2188	31000.61914	22492.43945	57079.75391	33100.61719	27627.98828	84226.35938	36712.61719	38102.76172	135466.4219	51638.65234	68805.71094	164647.6406	36620.65625	49321.01953	87131.16406	46466.79297	72616.55469	58343.22656	55125.07813	46396.44141	165232.0313	101189.3516	124245.0625	174376.3594	35419.03125	36946.37891	43300.62891	31830.02344	30196.28125	99244.77344	57000.72656	44792.22656	131431.5156	59075.51563	53317.07813	154581.0781	37567.17578	51733.98047	174754.1719	34822.97656	52306.45703	125171.6328	55871.34375	60676.79297	150907.5938	86140.95313	87445.67188	185217.1875	38046.20703	24472.22656	46738.41406	31126.11328	30570.48828	75023.125	47057.15625	48167.37891	133697.5156	55824.9375	61587.80859	180249.0781	36024.90234	57044.96484	72266.07031	38158.25	52956.13672	99063.875	62157.57031	89834	148694.9063	71446.97656	94276.84375	171153.4219
Pyridoxine phosphate	189173.5156	128735.0469	157368.4531	279673.8438	139638.875	126877.8516	206102.0781	136117.9219	71239.82031	140530.9375	115958.5781	39730.125	215216.2188	183676.5938	165537.3281	213825.1406	235592.4688	133724.7031	233381.5781	244317.8438	75936.14844	188645.6719	179142.375	46765.21484	222136.0938	117435.6563	158250.2656	167804.2656	152193.4531	117041.0703	183687.5156	137079.5	65680.64844	179429.5469	154544.5625	38144.07031	181029.3594	214326.0938	96921.42969	207272.4844	250706.1875	116289.1563	229516.2188	194025.8906	85487.73438	196490.9375	187521.8906	41182.74609	209764	115399.2266	143142.7656	196918.4688	129179.8281	119860.8672	171622.3906	144744.4844	68101.40625	191892.7188	98015.625	40949.63281	201512.2188	213940.25	190645.1719	176386.9688	221993.3281	118168.4453	190146.3281	196697.9531	78930.5625	170342.7969	216334.3594	36643.27344	207019.4375	118616.8281	141163.6406	204177.25	144066.6094	114954.1563	180383.375	145372.9688	71216.95313	210208.9531	133759.4219	49538.03906	194990.875	178414.7031	96804.29688	224728.2656	252570.3125	106627.8281	224811.3906	239910.3281	63522.03125	191977.0469	153024.7813	47391.40234
Ribitol	19601.23047	31001.03906	59364.80859	21057.16602	0	113815.1172	0	0	46285.27344	0	0	67251.30469	353893.4375	308974.7188	434329.4063	297556.25	231796.6563	341679.4063	333111.8438	428068	495855.8125	300783.7188	186162.1719	417425.0313	19895.08984	22553.80078	40564.76953	0	0	69613.09375	22824.03711	18260.07031	58191.97656	50304.90625	0	61792.4375	324754.2813	258023.125	434090.2188	187675.7344	431841.4375	259975.8438	355989.625	468983.6875	262073.75	304981.4688	220166.0156	247196.0938	8534.710938	28681.9082	51092.625	0	9378.013672	49039.91406	0	0	30000.37109	21986.80469	21391.56055	22109.91797	174784.5625	297783.1875	677469.5	252818.375	257070.5	163190.8594	162013.8438	419041.875	300741.3125	223910.8281	257111.625	396580.875	0	17643.80664	61393.85547	16907.92969	0	57151.55469	25952.95313	0	52117.07422	30977.49023	0	34435.73828	273130.9375	223354.8125	462140.4375	167038.6406	242244.4844	201036.0938	231297.6719	354338.1563	297251.9375	262289.6563	522781.5938	344287.0313
S-Adenosyl-L-homocysteine	172082.0469	132131.4844	155032.6563	170907.4531	85613.21875	157434.4688	222276.7188	94061.61719	142312.5156	169587.4844	93877.35156	138062.75	75591.97656	91662.96875	77128	71949.48438	84435.96875	78021.8125	63745.39063	78607.10156	99390.08594	78102.32031	91627.51563	110166.6328	123962.5	90691.36719	159657.3438	161243.7969	96323.30469	157705.0156	318237.5313	164377.0469	265339.75	424480.3125	260924.9219	319221.2188	87751.58594	87709.46094	67421.0625	78419.53125	61747.60156	94833.79688	71188.00781	77015.6875	84497.44531	102048.1641	112920.2344	85479.125	137719.9375	113351.4922	104940.0313	206839.9531	104279.0234	160052.25	269086.3438	138529.5938	167187.125	329391.5625	132652.3438	171714.4219	78054.60156	97487.04688	125841.5781	50091.61719	60711.92578	106262.7344	63232.86328	64407.65234	90392.9375	62732.42188	99022.36719	59065.49609	159280.9844	100571.7188	145229.1719	184904.9219	122753.8203	184713.7344	333500.0625	164701.1719	178095.2344	300362.125	149253.0469	238550.0156	106170.9063	105011.9297	73238.0625	129426.8984	77183.46875	78043.01563	67010.55469	81232.89844	88773.1875	63341.22266	90441.35938	111768.7813
S-Adenosyl-L-methionine	314311.9063	342615.3438	521323.0938	730998.5625	385942.0313	965565.8125	775895.3125	482718.7813	1096253.375	759097	637373.9375	995597.8125	315385.3125	304152.9688	406670.4375	344691.875	260053.4688	369579.5	275606.2188	337770.9375	386160.5625	297661.5938	330949.3438	327501.4688	334469.9375	255793.6719	838630.125	459774.8438	324091.5313	637044.1875	496940.3438	388337.5938	976827.0625	492073.3438	481063.4063	822501.375	320078.4375	294302.25	386535.8125	369063.5313	335580.9063	316918.7813	325945.9688	195194.375	314886.7813	294516.1563	346134.4063	345392.5625	341979.6875	306163.4063	511280.2813	489205.0938	550706.1875	939573.125	805590.5	647829.5625	784584.125	938596.6875	603306.75	1205719	359650.7813	322090.5	513610.9688	292588.9063	294059.125	378638.75	263947.5	285413.0938	400888.0625	273300.4375	305560.625	378859.125	425433.5	240152.7969	741446.5	668458	387433.2188	967790.9375	849017.625	583835.375	858310.3125	847388.5	655592.875	1179656	405125.375	309447.625	304660.0938	284105.0625	232325.6406	356040.5	236886.125	348445.3125	451904.9375	292590	261565.4844	485251.9063
Saphenic acid methyl ester	79210.125	56236.67969	67127.64063	78927.65625	69383.21875	70194.03906	68317.96875	82155.84375	80793.46875	82819.88281	67812.23438	65658.33594	100637.2578	120386.1953	38462.80469	96367.8125	85859.34375	44648.67188	68264.3125	42175.8125	52601.81641	92207.9375	62065.48828	55923.35938	57125.19531	69028.86719	54438.19141	74962.25	95496.875	48257.93359	93384.63281	45994.33203	42295.05469	61981.35156	52492.19141	44552.58984	76759.83594	67897.82031	69563.57813	55281.42578	78167.38281	37728.26563	100227.1875	49762.99219	63158.87109	71661.48438	29197.10938	48466.71875	122260.8125	55415.48438	58945.10938	77923.32031	115656.9531	65565.04688	97331.34375	70593.82813	47920.72266	87169.13281	60386.84375	58346.66406	42516.46484	70725.57031	69050.69531	79339.09375	96534.21875	54342.24609	75662.74219	58131.6875	47783.55859	57929.46875	60218.96484	54656.10547	82369.26563	79012.55469	72447.04688	67497.40625	62146.22266	57985.14063	63454.16406	61613.54688	58973.10547	77358.21875	49550.06641	58454.86719	49314.90625	94404.125	62219.46875	101903.5703	89827.71094	56700.21484	95985.36719	57857.88672	63272.93359	85957.16406	42210.07031	55388.94922
S-glutathionyl-L-cysteine	100844.7422	207487.5156	104276.7422	98625.49219	58446.61719	246056.6875	246150.3594	58875.95313	147198.5156	230887.5156	84767.625	132172.9219	81081.39844	96984.94531	364517.3438	147533.2656	157794.0938	220945.4219	321878.5313	159891.7656	157671.625	148853.2188	180958.2344	112246.2813	76979.59375	205037.4375	194135.4844	71407.19531	56806.33203	137475.1563	77643.21094	170033.5938	171326.8594	381786.1875	129224.6719	143808.0469	195826.0156	232544.9844	228895.4063	146810.5	176671.7344	218677.1563	98854.89844	129219.9453	107206.2813	191013.6875	178395.1563	118171.4766	74043.00781	174477.5938	192338.7813	74126.41406	68405.75	170225.6563	227186.1563	99191.42188	90144.10156	89145.59375	83419.88281	109476.2266	172003.7813	330829.3438	325561.3438	106553.6484	131804.6875	273601.0938	111033.2578	206308.2656	132306.4063	111994.2734	171279.0781	159072.7969	238414.125	275409.2188	196157.2813	213901.2969	121121.2266	220096.125	132823.625	72686.82813	140675.625	98607.1875	151289.375	107244.3594	316727.9063	124198.9219	86405.96094	126199.625	153713.3438	115735.7344	182754.6094	153360.4688	103906.9609	102517.7734	219996.3594	79304.14063
Slaframine	241583.625	216977.9063	461284.5313	279802.9688	257797.0313	410013.6563	280952.375	205812.3594	397443.6875	216869.375	202275.6875	487662.8125	242026.0156	286004.9375	503370.3438	295035.9375	379814.9063	393722.1563	248277.8125	353025.8125	531448.5625	300453.125	331312.0625	450031	212177.4219	216197.875	428026.5625	263945.3438	236188.4375	402667.2188	257979.375	267175.4375	427995.4063	260854.6406	253890.1563	453934.125	312067.0625	345357.0313	445765.5625	318892.5938	363143.4375	563802.9375	277235.5	328780.4688	394709.9375	389640.4375	426962.375	439110.0938	261771.6875	231931.9688	443361.5	257891.375	228221.25	441655.5313	288003.0938	281730.0625	398245.7188	233564.1875	245494.3906	385481.375	272819.1563	372546.375	765884.0625	273253.9375	282141.375	397705.375	265320.6875	353485.6563	350247.6875	319933.0625	408373.0625	464509.7188	225424.25	238943.625	429738.4063	265378.5625	246482.0469	564233.375	195711.4375	248647.5156	359451.9063	298575.9375	254041.5938	421187.875	280803.0625	383884.125	481982.9063	261918.1563	372446.2813	429299.2813	338440.5	410452.1875	441888.2188	364512.6563	311358.0938	392443.9375
SM(d17:1/24:1(15Z))	214943.2969	311371.9688	361632.7188	213334.9063	207911.3594	131096.5156	238180.4844	288290.2188	203226.1563	205940.2969	222535.9219	304611.0625	175596.4844	288769.4063	167534.9219	274282.9375	245312.6406	203205.0313	211566.5156	324497.4375	274454.3125	262500	219590.25	191363.4375	143090.7969	408250.0938	334153.9375	161597.0156	242709.9063	271854.625	214487.4219	247083.375	203777.8125	247330.4375	206590.2344	337324.6875	286834.75	376438.5	376209	276202.875	259711.7813	279462.8125	272580.3125	426877.2188	248220.9375	289182.1563	290276.5938	209947.3594	219795.1719	177449.5938	198888.75	197463.6719	175079.6719	246473.7344	207210.2969	241565.3125	333872.125	181447.1094	250245.0469	206149.0313	159041.0625	242795.0625	149602.3125	134738.7031	277677.3438	242675.4688	214467.125	397204.5313	265159.4688	193680.375	273267.0938	178502.7813	252973.0156	233448.5625	203360.6094	249972.2188	295565.625	207529.6094	179287.4531	408112.0938	213195.1563	211924.2656	274025.7188	202070.9531	143436.9375	283001.6875	283287.9375	246076.6563	258797.1406	200199.2031	291633.5	272717.9688	191622	238854.7813	204613.0781	175053.5469
SM(d32:1)	73900.35938	72058.09375	135568.9063	94053.51563	86495.89844	145114.9844	102500.3203	99416	170260.4219	86980.875	94087.57813	154973.7188	83426.42188	125648.8906	130572.4141	106345.3984	141863.6875	140381.0938	63583.17969	117902.3359	124128.7109	106366.1875	112443.8359	130085.9609	58051.41797	86297.375	138069.4219	80717.35938	82826.21094	126969.7734	97083.26563	71640.66406	152735.9688	127417.9219	90846.125	123570.5391	114006.7578	121521.7734	141982.6094	125218.3281	131078.2344	154357.9375	98733.38281	152208.125	136626.1406	126095.0703	126318.5391	121590.5703	95311.82813	88950	144812.3281	73232.38281	90209.84375	137547.7031	67536.53125	90451.55469	121828.0547	87090.0625	89020.875	119692.3125	69344.79688	122794.8359	175833.2031	75894.86719	106776.8594	129661.8438	62245.48047	117539.7031	106740.125	87755.60938	114824.6172	102783.5469	84913.42188	69577.07813	119020.4688	71136.70313	88361.3125	147492	87713.07813	79240.34375	119336.1641	60135.46484	87471.40625	136305.875	60468.24219	144542.2656	126071.7969	108280.9609	129424.7734	131538.4219	118762.3438	119201.875	138645.2813	115074.8906	123206.1484	162066.5625
SM(d33:1)	186285.3594	198181.0469	266286.25	297457.5	211877.4063	442473.9063	267346.9063	408168.5938	465494.4688	223953.6094	302417	321238.375	158332.2656	174281.1406	256860.2969	122717.8125	213805.2031	573456	147495.0625	264054.0938	346661.25	284455.5313	130472.0625	306808.3125	134431.4688	191547.4531	420842.625	232623	180918.0625	416301.75	232044.8594	218027.125	343709.5938	262243.4375	257793.8906	532807.875	277423.4063	266963.7188	331108.8125	247265.2969	213477.4375	236212.5	222353.2969	196684.8125	259658.5	197590.8125	285854.9063	224521.6406	349856.5313	217696.3594	341576.4375	123734.7109	240637.3438	422761.7813	248008.4063	256713.0313	338511.2813	518635.4688	222756.5938	396542.3438	125749.625	173302.4688	136996.9531	186225.0938	320242.0625	337292.6563	337877.2813	254251.375	222169.2656	211169.6094	302417.5938	283361.25	244240.375	236966.4688	297857.625	135861.1406	239404.375	378461.8438	437518.4688	236600	176146.7813	216337.2188	233836.5781	703039	184849.7031	189969.7188	285716.875	186686.4688	289810.2813	230654.5469	316968.2813	214228.0625	284955.625	181907.3125	195062.1875	240657.4688
SM(d34:1)	317317.6563	296219.25	593053.3125	137404.9063	207634.9531	132662.3125	247691.4531	383160.75	460229.9063	208938.0938	119322.5781	154469.9219	107056.1797	197635.1719	136170.8281	337103.0313	461398.7813	487842.1875	161908.4844	389865.25	337644.0938	312993.4063	170377.2656	142017.6563	236951.9688	317093.5	414920.625	276735.375	324702.75	417406.7188	266330.2188	267769.5313	476197.5	346274.7813	345338.5	405593.5313	333342.1875	360757.3125	406520.8125	167277.125	228310.2344	161572.1563	193416.1094	223201.8281	445937.125	350589.5313	327998.75	389478.4063	180543	315542.8125	156969.4844	238406.3594	301427.8125	409129.2813	114720.9063	371356.7813	148576.6406	353185.5625	344622.0625	480815.2813	205687.0156	343352.375	364619.7188	272076.4688	399836.9688	467373.9063	307190.4063	431791.3125	252402.5625	346477.9688	349992.875	480233.0625	225903.0469	126025.1172	135748.0156	85129.94531	347599.3125	146307.8906	314021.8438	306696.375	432584.3125	267587.9375	382415.5	476181.1875	193472.2344	412096.5	470111.625	392238	482047.4063	424917.625	156333.1875	172032.1719	391830.75	444865.375	405052.1875	475031.0625
SM(d34:2)	80383.32031	93010.5	125556.2266	89578.02344	93695.88281	104459.6328	92755.11719	101525.1016	115320.8828	78522.61719	97791.08594	115869.3203	62254.73047	135561.0625	87804.67188	85802.71875	115419.3672	102069.5703	67365.125	113955.5625	102340.4297	104107.5234	141359.2031	85786.60156	61432.28125	90839.46094	111507.0625	87638.3125	106072.7813	92444.4375	85700.28906	94315.6875	107178.2188	94080.95313	109113.4766	118075.1953	97712.91406	114929.7422	106244.4609	99343.53125	110452.3203	111544.0781	99969.35156	104814.1953	132255.4375	108131.9844	113792.3203	97182.21875	103921	98302.78906	115312.3594	69113.46094	82003.55469	117734.7031	74864.75	92400.99219	125642.8125	79997.22656	93126.29688	102879.1016	44759.96484	104688.6563	167492.8438	71889.63281	103387.0391	104310.8438	66877.10938	120384.6719	102583.0547	72836.08594	102138.3359	88645.5625	76256.95313	93648.36719	107285.7734	76630.57031	88245.52344	124357.1563	82314.65625	92616.14844	89921.3125	61965.68359	99758.98438	116869.8281	59065.62109	120341.7344	111863.3203	106891.0781	118767.5625	108157.1563	100509.25	112930.9375	117191.4219	99155.92188	112452.1484	115261.9531
SM(d35:1)	306393.6875	342695.9375	769036.0625	250138.5625	334319.25	508811	295252.4688	278111.9688	357075.875	289930.1563	246055.5781	551283.4375	181740.8281	226942.8594	297975.4688	303853.7813	283162.875	409254.3125	169784.6875	285260.9063	382177.1875	310996.875	254005.1719	510095.2813	123141.9531	205381.7031	436505.3438	283206.5	342369.5313	327665.8438	204932.0313	295979.25	310234.75	252130.5	285866.8438	484500.5625	289005.8438	336487.3125	295104.2813	282375.5313	307408.6875	365386.7813	294476.5625	304555.1875	458585.2813	190728.8438	319956.5938	443606.2813	301835.9375	482821.7188	426436.25	187598.4844	232077.6406	331398.4688	319392.8438	289364.9063	546456.875	194501.1719	293870.375	457344.1563	124815.5313	261038.0938	309353.0938	231759.125	288012.5625	466791.5	188118.2969	259979.625	363352.5625	196582.2969	200927	325998.25	232950.7344	306842.0625	345267.0313	195949.9531	257150.4219	373778.4688	249422.8438	326934.9063	516806.4688	156518.0938	289622.25	499581.125	210799.625	247929.3594	436089.9688	204366.6875	278078.7188	361114.5313	226931.9219	312502.4063	370378.9063	266290.8125	325425.0313	358755.5
SM(d36:1)	261537.1094	235182.9688	487757.5	373342.0938	308616.1563	535706.6875	268699.2813	271582.5	635774.8125	246163.2813	392579.0625	731436	331843.1875	337736.7813	420048.1563	369201.25	472751.0938	605395.1875	209166.6094	280062.0938	473809.3438	427468.8438	344443.625	537155.5	202414.6406	240363.5625	635724.75	215799.7969	195962.3281	615064.625	269508.0313	253318.2031	573168.75	263816.1563	242935.9688	468369.1875	376591.4375	379374.5938	477841.375	373043.875	317361.0938	365831.7188	333229.9063	383056.125	520528.0938	531671.0625	294568.75	449235.4375	280727.8438	226223.3906	543563.1875	193531.2344	208707.9531	528881.4375	237529.5625	293609.375	399261.0313	646195.625	332147.0625	489656.5938	206007.3281	276850.8438	211147.7813	204972.6563	417922.6563	632280.5	364302.0938	544976.5	497227.2188	519753.0625	528771.9375	642862.75	215273.6719	250141.6094	436846	251129.3281	281368.5625	452461.2188	530654.875	329464.7188	449700.4375	190720.2969	267994.9063	765899.5625	246198.6406	302282.75	583396.3125	346527.1875	500113.375	403922.9688	385318.625	373679.4688	416744.9063	323965.9375	323669.0625	572625.9375
SM(d36:2)	71531.45313	72909.26563	164564.6094	88817.17188	89093.03906	214592.0469	93713.20313	78302.52344	255749.7344	73035.52344	94188.875	212747.3906	62154.58984	85805.73438	125139.6328	82744.17188	112491.9219	271585.375	69809.28125	76386.07813	169449.2031	101026.6641	85242.46094	244459.2344	59452.29688	67754.72656	213002.1406	64457.27734	64971.10547	221752.6094	86960.96875	78047.75	154055.125	68358.14063	73060.57813	268192.7188	124806.3906	102634.2266	156657.2031	154005.2031	90129.35938	144418.5469	79167.96094	108148.4766	185502.4844	107123.7422	85823.77344	140965.5781	80829.74219	64252.37109	263155.625	54048.38672	66687.00781	181679.3281	99097.99219	71846.42188	139313.6094	88976.41406	100883.1328	152902.0938	72508.14844	88038.98438	156393.6094	61429.35938	60861.49219	241886.3438	46343.81641	156129.5625	116946.3828	109299.2578	144229.5469	217944.1406	52281.17578	77320.89063	143417.75	51165.74219	72093.21875	114528.4375	104460.6719	92904.04688	155345.375	43771.73047	81359.54688	193885.9063	50772.09375	98683.67188	189930.875	92765.27344	159581.0313	197250.3281	77429.875	69085.89844	227362.7344	80903.69531	104332.6484	184118.5781
SM(d38:1)	72780.76563	69840.14063	111560.1641	64328.51172	68291.80469	112531.2891	66912.46094	60696.9375	127993.1094	68393.95313	78541.53125	162749.875	53714.56641	92126.30469	82149.83594	110356.3594	96725.07031	142103.3281	46876.84766	66929.83594	79461.39063	134289.8125	85255.85156	104702.9609	55734.22266	75600.17969	79893.44531	67246.50781	57782.62109	72656.67188	56098.29688	72757.45313	104028.5469	167772.375	57380.91406	112268.5547	93152.17969	103077.4297	82788.17969	77362.75781	82969.625	71555.5625	74222.42969	90039.28906	118198.1016	59461.66406	74540.61719	104313.9844	75105.64063	56069.63281	116966.0234	61584.87109	59404.41016	95802.83594	65392.84375	81687.16406	80449.57813	197456.9688	87582.24219	106204.1797	69580	84710.28906	40345.85156	51700.55469	85053.69531	108808.1016	135038.5313	129694.4844	74417.21094	98037.01563	111193.2422	125396.7344	58166.08203	74267.22656	82406.46875	62592.92188	57004.19922	100849.7266	65319.87109	73438.21094	109366.1484	52479.52734	62517.23828	125346.8906	52800.26563	80194.0625	118694.7813	111469.4375	125067.6016	92409.57031	92996.76563	91613.78906	104594.5	87917.63281	84417.73438	136337.0938
SM(d40:2)	133367.0156	132404.7188	177288.5	104108.125	109081.9297	170618.9063	148512.1094	98054.47656	233008.7344	104695.3594	129627.7266	247768.2656	98591.70313	155171.9844	134222.4375	192782.0938	161368.7031	195132.6563	96996.53906	115981.875	148317.4219	211716.6875	145938.4688	121732.2266	81889.09375	102145.0156	151815.0156	114733.5234	103858.7109	127153.8359	98300.60156	113445.7188	161343.7031	156587.7656	111404.4688	190818.5781	178664.2031	144750.4219	135375.125	140612.6719	127369.9844	132184.2188	164876.625	144057.2031	200632.2656	96694.3125	328687.9375	165167.2344	101736.8203	74647.39063	180745.625	118820.625	117353.1484	134202.9375	112568.5547	130599.4375	142825.5938	153077.5469	138874.0625	132904.75	101667.4609	157426.6406	108537.9375	123409.6172	135831.0156	201165.9063	123600.7344	223663.6094	133411.6719	212915.5156	163459.8594	206054.5781	99619.67188	116191.9609	149873.25	89727.32031	102834.0156	168277.6719	143131.1406	107895.3984	169480.1406	100830.7109	96147.17188	202112.9531	96689.88281	115623.4531	163997.4531	173848.6406	129520.5938	126443.4844	103742.5	171005.7344	162960.125	147923.4688	126156.5313	197303.5156
SM(d42:3)	276458.4063	291719.2813	400729.5313	431382.25	364331.5	435392.9063	364233.7188	361967.625	391398.8125	300461.3125	331045.2188	457525.5313	295021.875	459528.4063	306737.1875	362736	462818.9688	340687.25	161394.125	394864.8125	285762.875	475857.1563	450602.9688	340842.9375	246964	346956.25	320302.9688	294739.9063	340237.1563	332939.3125	375450.2188	347767.9063	397181.6875	264671.7813	220623.8438	138934.5156	388000.0313	453518.2188	325817.5938	412997.25	499756.0625	393123.3438	450427.4375	486476.375	356052.9375	443990	362971.5	317468.375	415314.0938	337961.1563	403966.2188	309276.9688	340683.9375	397339.7188	312066.7188	276275.625	263887.6875	323090.75	317056.6563	357923	229999.4844	444653.9375	342765.1875	290647.125	450986.0313	336002.9688	334298.2813	393560.8125	313572.4688	358292.2188	435219.8125	296177.5313	212290.8281	235009.4844	345884.875	346170.0938	351901.8125	414490.8438	343720.2188	324454.625	346034.0313	248182.8438	351000.4688	422548.9375	247756.6406	299147.8125	260711.2344	446216.5625	447720.2813	339318.3438	445813	439448.6563	354212.9688	450512.625	503580.2813	392513.3438
SM(d43:2)	90358	66202.8125	136324.7969	109039.75	76971.14844	96681.67969	74435.625	92205.57813	106040.5703	96176.96094	69733.0625	136119.9688	55150.28516	100505.8906	87851.50781	72496.10938	94051.49219	116647.5938	80529.97656	102365.9453	126162.8828	126130.0391	70750.71094	64629.14063	55353.76563	95623.5625	122879.8047	84414.03906	80705.71875	85772.51563	64804.63281	64237.94141	96615.42969	71574.07813	64511.89453	99231.39844	92034.71094	95627.47656	104409.3672	121885.2422	104299.3203	97155.64844	85122.03125	127671.2109	105938.7813	125111.4219	101122.5859	81500.53906	78568.07031	129752.5703	87754.9375	66664.34375	81809.69531	145345.1406	58820.97266	72515.42969	150693.9688	89028.46094	87614.98438	84347.375	85374.96875	90420.74219	28619.9375	62423.67969	133933.4844	98350.65625	68377.39063	135980.375	93588.17188	77102.92969	126605.9219	118063.8125	87451.90625	77394.71094	123680.1328	79114.8125	86217.84375	103354.1953	71832.64844	121298.7188	100037.2266	75814.75781	78175.55469	121023.0078	68852.03125	118201.4766	81669.05469	100204.375	94296.09375	108671.9766	95615.29688	93955.0625	111903.3984	126609.6406	93329.65625	109266.7266
SM(d44:1)	97328.3125	106723.4219	123455.4141	109740.8281	64662.91797	119330.3281	91803.67188	111729.2969	81705.90625	98177.77344	118227.5703	132453.9844	69433.35938	90409.21875	66385.3125	105255.8125	78560.54688	100111.625	17626.3457	69237.10938	95379.46875	118075.9766	104951.8281	118650.4453	76667.65625	109332.6094	122128.7031	83746.27344	93840.34375	92364.82813	72022.48438	60455.90234	118034.0859	109156.6016	101028.2969	121305.8984	123109.3672	105892.8281	140092.7813	67615.82031	72750.64844	113779.6406	107699.9141	122222.3594	95855.26563	105505.7109	62167.63281	111828.7031	135099.0938	71028.27344	106375.9922	111398.7734	89433.9375	125350.6953	84035.64844	94487.73438	128492.7813	98009.60156	124908.1719	95815.71094	46073.60547	67393.78125	28018.54102	69349.49219	90653.25781	139215.7031	83912.94531	91561.51563	81272.77344	77723.25	74128.72656	106974.8125	127478.0313	99024.23438	152816.7344	81463.51563	92699.17969	137508.6875	93394.04688	126147.5391	123900.8906	66241.42188	110774.9609	107464.3125	47069.73047	133742.1563	155664.3281	121757.4766	104083.8672	103697.5547	83086.59375	80235.30469	108723.0625	102464.2266	66166.67188	95565.89844
sn-glycero-3-Phospho-1-inositol	102892.8672	53809.65234	47340.83594	51440.65234	35555.16797	39174.69141	41970.84766	30580.55469	29521.07617	35131.11719	27870.92188	31940.56445	23566.88086	31072.58008	19736.23047	29093.60547	28975.91406	25754.50781	29550.57031	30321.67773	38277.98438	31090.33008	29278.39453	32728.14063	73473.82031	50742.96875	47554.3125	46936.25781	40611.19531	44230.8125	61598.13281	44089.72656	53221.32813	60415.69141	35733.41016	51469.16016	26365.60547	27203.80859	31822.41797	32518.49414	30926.12109	29000.10156	27218.35547	28957.45703	27153.10938	36849.95313	41466.63672	35854.38281	84702.39063	54896.02344	53437.24219	40496.56641	42281.98828	44572.67969	48133.28125	41891.75391	31368.04492	51297.28125	33990.26172	41950.78516	21806.73828	31169.70117	52202.14453	25824.08398	36607.36328	32584.70508	23783.2832	26279.43555	25978.83008	23571.20313	32529.94727	25072.99219	70966.15625	56276.75	46733.24609	61804.24219	44680.13281	46207.90234	45342.96094	35258.88281	35725.97656	36747.625	42792.25	35970.73438	25983.34375	34830.51953	22784.55273	24665.54883	34298.75	25231.07031	33624.23047	26576.81055	29736.2207	35610.60547	37389.93359	35358.00391
Suberic acid	340659.5625	371844.6875	266484.875	391648.5313	308096.8125	276758.0938	261974.75	256204.4063	368017.9063	292989.5	262007.7031	246990.5156	257166.7344	254133.4375	353250.7813	334110.9688	301903.5313	300263.3438	380818.75	347798.0313	332565.5313	377280.8438	291301	251098.5625	216850.9531	293661.5938	262223.4375	218103.2813	334510.2813	275907.0313	300101.4688	261955.2188	311423.5313	265166.0938	276459.3125	276426.7188	302150.4688	286204.9063	293675.7813	376442.7813	344054.5	239798.1563	351423.5	258721.0313	305226.1875	313769.4688	289355	234537.9688	285447.7813	287660.375	248207.2969	284238.5625	335373	295435.3125	260010.1719	264055.75	241676.1094	293041.4375	285554.2188	239291.7188	269942.625	303165.5625	339494.9063	265988.875	253960.3125	305697.3438	256463.125	333276.8125	251329.5938	309816.1563	321608.4063	268817.8125	281163.8438	287641.25	333877.7813	349183.6563	318581.5	240873.8125	286781.5625	334302.9375	279152.5625	274966.2188	412643.3438	270108.7813	378778.375	279941.9375	301654.3438	362410.4063	362917.4063	244401.0781	340886.0625	280983.9688	287912.5	325370.0938	305505.6875	321904.7813
Sucrose	83824.13281	84049.5	143578.4844	95754.03125	79037.01563	133907.5781	98003.67969	73874.84375	141560.8906	91860.23438	79108.70313	122578.5938	76761.82813	100460.0547	146622.7031	114633.1016	96002.35156	136362.5313	69831.95313	98010.16406	140164.5	119081.1719	136508.0156	120521.1172	75783.10156	84921.23438	151171.1406	76370.89063	77166.86719	116228.9766	82939.41406	71388.48438	187559.6719	93776.86719	82465.875	158820.8594	109480.5156	89375.375	144161.9688	126252.2266	150759.6406	128845.8594	104246.7734	75768.89063	124629.3047	102717.4453	93608.45313	121955.4375	93011.34375	80623.78125	132419.9844	63829.73047	85065.92969	161890.3594	77779.96094	79569.9375	126437.7656	87484.70313	75548.28125	166342.8438	52084.41797	116013.9375	206836.7188	69497.10156	94769.10156	128715.8906	94887.83594	128244.4375	125028.7344	97299.78906	121528.3828	130265.125	87858.32813	78047.51563	156496.3438	71264.4375	96697.42188	159431.5	91637.3125	78658.05469	120352.8906	78100.59375	86606.125	167411.6563	75815.11719	97139.42188	135262.0781	114442.375	99454.28906	154958.5156	87866.89844	303713.5625	185587.2813	101921.6797	93185.57031	179670.5156
Taurine	217555.0781	128906.0234	431430.5	245806.0625	118019.6641	402570.8438	225952.9375	121803.8516	464446.2813	208229.9063	107480.0625	610125.625	647224.5	490727.9375	895396.9375	632415	607453.9375	638225.125	602460.25	571229.875	610896.4375	461163.8125	534708.1875	667146.75	237410.8438	144425.0781	444835.4688	232999.7031	116882.7969	440235.2813	199597.1719	126945.0391	449878.0313	247698.5156	117458.2891	352743.0313	603036.625	752266.9375	870789.1875	623157.0625	476848	774895.5	626685.75	590970.375	750023.0625	511786.1875	539136.875	587214	207758.0469	117012.6016	555100.1875	179780.3906	114396.4766	464123.7188	211417.1719	109147.0391	344666.875	228177.4375	133873.5469	397216.9375	511230.2188	564289.0625	1065025.875	478739.4063	504698.375	669649.625	534019.625	626665.3125	645455.8125	549666.125	519591.8125	659757.9375	221326.6094	135001.8438	477308.5625	270972.5625	143659.875	488567.625	198172.0625	105579.6719	366404.9375	220286.2344	124809.2031	350779.5625	555772.375	573864.0625	860787.9375	599947.5625	678559.4375	804562.3125	505595.2813	557681.375	622730.5625	533269.6875	588264.625	583696.1875
Tetrahydropteridine	53462.07813	58381	58335.43359	71414.10156	43517.09766	77406.85156	61953.57031	65327.42578	94556.34375	64700.90234	81245.75781	104757.5703	46764.74219	112122.6484	81261.16406	63131.26172	56586.05078	114880.7578	47820.42578	78028.0625	26414.39453	43960.44141	74145.94531	83667.76563	39124.68359	65685.21875	77454.30469	52760.67578	102472.4531	71023.14844	55972.96094	108691.75	92073.07813	52280.36719	108858.7656	99954.6875	54265.37109	103991.0859	81223.49219	59947.89453	49175.83203	115672.5	48920.96875	115332.8125	105305.5	47209.01172	119062.3594	96648.71875	58319.51563	45776.64844	84814.02344	73090.67969	56057.11719	108753.4297	45786.91016	91733.28906	56870.69922	71303.42188	73285.83594	69021.66406	48392.32031	72427.19531	56992.14063	28179.14844	51027.07031	62830.30078	49805.66016	65107.25781	73479.99219	57073.88672	64048.73438	49933.05469	52188.07031	115712.6016	76580.03906	45183.45313	87820.84375	84108.67969	54378.16016	129382.0547	52316.60547	57237.73438	116657.6719	97906.25781	43887.46094	44455.42969	99154.94531	76556.95313	55387.62891	50032.53516	35665.38281	54968.35156	79896.14063	77632.9375	84149.28906	135280.5469
TG(50:1)	12739.71777	7880.515625	15140.50098	20419.23633	12412.21973	12388.77832	10439.16699	15109.00781	17296.875	14983.37305	8834.109375	10605.68848	0	0	3997.50708	6729.114258	0	0	3491.687256	0	10425.57324	4328.374512	0	5723.957031	8141.330566	11762.14453	9945.801758	28964.6875	16840.37891	23660.125	60674.26953	32425.57227	59793.86328	129184.3203	96701.39844	75916	4897.370605	0	6445.697754	12676.67773	0	8979.240234	9118.405273	0	4549.550781	7009.206543	5422.32959	4690.877441	16455.75781	10612.94922	14561.08496	19717.37891	11367.88574	17710.46875	23481.10547	11976.59863	16524.23438	25071.36523	10007.85254	15367.64648	4217.593262	7247.978027	0	0	7159.841797	5454.460938	3737.013916	0	3973.823242	9521.632813	0	4250.508301	14086.15039	12555.86426	10530.45898	18283.73242	14350.29785	22875.16016	38932.92578	15773.62695	16871.75977	34107.55859	14874.48828	15374.26758	2897.14209	0	4044.760498	6072.923828	0	7720.50293	4497.67627	0	6770.329102	4609.474609	0	4837.373047
TG(52:2)	29955.30859	20533.875	30701.58984	36077.31641	21296.64453	28650.64258	33334.27344	32133.6875	35750.54688	34496.73828	21919.0957	36015.30078	10971.96582	16746.10742	14579.97168	14219.07422	15228.49121	17328.46484	12895.47168	11644.18945	21233.29297	13825.75684	15466.10547	13329.95801	18815.24805	16746.04297	30173.89258	50975.08203	31285.21289	42842.29297	136115.75	61601.69922	101578.4844	370824.6563	161209.5781	203289.7969	13540.53223	13210.95508	14447.03613	36266.6875	13170.42285	17201.20508	17125.65234	13876.17578	13963.69531	16382.6416	15987.31055	15677.24316	33172.67969	21281.67188	26238.07031	35770.46094	27136.38477	41379.82422	60041.44922	23045.38477	31885.42773	84753.13281	25291.27148	39177.05469	16075.54297	15219.58496	12218.71484	9920.945313	14579.55957	19941.06641	8863.836914	13693.95703	14039.59961	17795.88867	13178.53809	12113.92188	19678.42188	19852.57813	22764.77539	46409.125	27239.03711	44403.79688	96166.875	29410.88477	37128.41016	98363.97656	43006.08594	63849.05078	10839.78809	20545.90234	17995.45117	13067.12109	12080.07324	12898.92578	13739.55176	13871.86426	14829.48926	17735.08594	16027.83887	17643.45703
TG(54:3)	16163.21094	15314.57422	19441.3457	27110.3418	19679.81836	21342.85352	23053.82031	21431.66602	28844.89258	28803.91406	16972.375	24863.42773	3035.575439	3478.7146	3664.550537	7468.929199	3947.873535	8507.201172	5879.125977	4363.017578	10932.94824	4384.760254	3941.962891	7129.998535	11641.1748	13453.01855	15401.75	48382.93359	20932.69727	32169.77539	97167.52344	41101.40625	77943.9375	202309.7969	139407.6875	124042.8438	11432.14063	7979.756348	7473.064941	17729.62109	7862.679688	8128.642578	10981.92969	7915.445313	7536.866211	8905.917969	8918.6875	7389.85498	18753.48633	13622.76074	16054.5332	26940.69531	24061.94531	30991.31836	49094.89453	29820.92969	30920.24805	77523.16406	18825.57227	27685.34375	10617.93457	6718.908691	4306.682129	4485.946289	10072.98438	10157.16406	3481.808594	7683.626465	7486.286133	14220.78223	4570.458984	7706.084961	20399.86328	12874.26563	16836.88672	30470.6875	22001.0293	31396.76953	75559.6875	31786.51563	36128.02344	85194.80469	35050.25	57227.87109	6694.791504	8486.398438	5808.134277	7545.581055	3771.578613	7288.653809	9672.293945	9460.162109	8342.540039	7428.32959	7282.922363	8547.948242
Thiamin	117833.7109	126277.3672	91159.3125	138957.2344	123105.6172	101706.3984	160950.5625	137937.8594	112047.0703	151531.4063	137036.6719	121451.0469	40609.72266	60453.99609	43766.60156	74502.54688	75781.60938	56749.66797	67177.35938	83067.41406	67721.46094	83464.07813	117986.5469	71159.32031	94442.25	109867.4609	77076.00781	80485.32031	102857.8594	75969.0625	117336.2969	139968.5781	78822.29688	215992.9688	127404.8281	107609.2266	56586.69922	59143.67578	43751.19531	63007.64844	90596.96094	65368.03125	68216.55469	87105.22656	61510.87891	111605.2734	105868.6875	61181.125	119574.6406	91664.51563	56780.01953	140377.4375	141972.5156	96576.19531	235713.2656	129391.0938	115004.8281	174799.9063	131787.1719	128327.8359	43646.07031	69110.5	61941.93359	48853.9375	78007.75	55873.84375	56548.32031	93574.6875	43114.30859	88723.17969	128933.1016	19499.83008	143119.9844	118132.2969	73235.33594	126354.8281	132273.7188	88657.16406	165784.7969	143014	83199.57031	140070.3438	154677.1406	82282.66406	51873.32031	70045.85156	38016.08594	65076.46484	86108.14844	59346.30078	68763.85938	111236.875	61679.53125	99162.61719	107617.375	80446.17188
Thiamin diphosphate	81116.85156	70881.625	85152.41406	119886.5	56661.28516	130316.6328	130477.4688	68065.4375	131289.5938	65353.41406	59183.96875	129085.7813	33938.94531	42046.80078	127760.9297	47954.42969	51017.76563	97163.96875	64032.40234	80079.45313	129077.2188	43404.43359	64845.71094	126827.8047	88381.71094	51649.82031	100098.5703	137803.7031	80810.17188	104872.4297	197099.0313	98201.96875	239591.8281	186613.5	166433.125	228037.5313	43445.12109	58057.59375	89126.32031	54811.83594	54325.09375	87092.35156	72523.48438	64963.42188	97744.33594	41885.74219	64266.37891	171783.2344	84463.4375	56047.89453	89732.53125	128868.5	55252.40234	103673.8281	173313	75437.25	118109.0781	168973.5313	76071.125	154780.2188	42265.83984	60039.6875	134262.375	49189.54297	65921.03125	89584.38281	47463.69531	71513.15625	123957.7344	40284.21094	67524.59375	100116.1094	119405.1484	49033.01172	116174.5625	138616.3281	85908.4375	148340.6094	205561.2656	112881.1094	155596.5625	187499.7813	99043.28906	152457.0313	55975.64063	54264.58594	63030.73828	42674.43359	48548.96484	64439.10156	47785.01953	82601.10938	118310.7656	49267.40625	61679.72266	107643.8828
Thr-Ala-Ala	182130.7656	129772.375	171573.7188	134258.5	100527.8438	130067.0391	118690.3438	106628.4453	137171.2969	93497.49219	112223.2031	143699.4063	97720.26563	132662.2188	96138.86719	125121.4688	125758.4609	117734.6172	105073.1328	133020.0156	128283.0781	152630.125	141963.7188	115447.4297	151479.7344	124922.5859	154364.0156	322552.3438	169511.9063	174791.6094	331090.75	170643.6875	222593.8125	386348.5	235135.5938	277423.5313	116061.8438	132617.9531	122716.2656	129319.25	146774.2344	112893.3359	129480.5859	129865.9844	121497.9141	134724.0156	148478.0313	104068.0234	172600.7031	133824.4531	189833.1563	134946.6406	108267.5859	127263.8125	164115.4844	111101.4844	141231.9063	154846.5625	116771.875	124971.1328	96400.75	128930.1406	208309.4531	110671.7422	120220.2969	119348.4453	121115.7188	166336.1094	108008.9609	85629.66406	132739.5625	108768.6484	154371.2969	129026.3438	172922.7188	162794.9375	112448.6016	135891.7813	200866.25	98048.3125	119497.4844	151545.3281	113930.5703	137664.5781	108825.7656	131768.5156	129922.2891	113821.0781	127884.9609	104827.9766	121440.0547	121822.4453	107670.8125	142853.6406	131825.7656	130790.6172
Thr-Ala-Pro	69136.55469	48120.43359	36684.82813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53835.875	38686.51953	37753.85547	66310.16406	35745.75	37708.05469	110023.1641	51803.19922	55703.53125	129957.2266	113034.0078	72686.84375	0	0	0	0	0	0	0	0	0	0	0	0	74621.92188	36205.71484	24646.64063	19233.45117	6291.134277	0	28549.40039	0	0	34292.64844	0	0	0	0	0	0	0	0	0	0	0	0	0	0	64589.15234	45423.76953	36367.52734	44700.96094	24445.23438	13069.60742	41977.22266	8208.49707	0	38498.16406	7322.464355	0	0	0	0	0	0	0	0	0	0	0	0	0
Thr-Asp	77708.58594	69961.82813	83450.40625	54052.46094	36475.75	36334.27734	40812.78516	30604.64648	27920.3457	31773.52734	43674.48828	29167.21289	33533.48047	33924.62109	58910.21875	26330.77148	31590.73633	52962.90234	35517.10547	29670.96289	59643.08984	42393.58594	37330.25781	52783.35547	76756.75	55547.99609	59337.30859	88287.72656	53436.81641	92940.0625	78346.625	75935.67969	100343.5703	58120.30859	71614.67969	66743.4375	35883.14063	27906.84961	42455.65625	26755.70703	27285.00586	54992.20703	25222.1543	38964.41797	50760.125	45642.88672	51387.6875	59973.41406	77682.52344	87038.45313	62578.48047	53559.18359	40868.30469	53801.86328	43174.94141	41867.73047	27833.13477	61300.84766	32093.29297	25250.0332	25420.89453	31996.55078	86908.16406	31130.04688	33050.45703	47703.55078	33225.15625	37818.00391	63486.78125	33962.35938	45926.29297	44001.73828	87581.10938	69320.07813	55176.68359	67481.1875	60415.625	45356.92578	47431.01563	36551.72656	35133.46094	31827.45898	48452.01172	23400.88477	32302.77344	32327.89453	40295.61328	39733.57031	33506.82031	50293.89063	37030.76953	37896.97656	52247.56641	44678.09375	43732.19922	56829.37109
Thr-Gly	127065.4141	114099.4922	103036.375	133587.4063	136039.0938	171274.8906	140410.75	112167.0234	176194.4375	124746.75	160954.6875	203920.5	109840.8906	156562.3438	165303.5781	130369.3281	127977.5781	169564	170373.5156	163096.4531	185230.0313	143297.6875	186144.625	158535.8281	114393.4141	139412.8125	122144.8906	117960.25	111464.7578	145746.1406	111834.1797	135772.0938	157718.7188	123947.0391	129186.1953	172874.5313	131941.4531	154581.4219	168193.8281	143889.9844	130159.1563	157755.1875	144829.0625	133297.4688	162803.25	155956.3125	204108.0781	165445.7344	105283.4375	104015.75	116224.2813	94347.67188	139107.3906	141559.6563	129655.9531	139561.1875	180108.5	125130.5781	141839.9844	171206.6094	128742.9219	124741.8125	235810.9063	127101.2109	163993.5781	175771.1875	119754.4063	143224.6094	165747.6875	139891.4375	182290.7656	163619.5156	130389.1484	128107.6172	119621.0938	125131.3438	112899.9219	165304.5625	114368.4844	129064.8594	146588.9531	123289.0156	141044.7656	193668.7656	119192.1406	108065.1641	151949.8281	122665.0313	118187.1797	144976.6563	141335.0625	165892.0781	175234.1719	157182.6406	183296.4844	174952.2344
Thr-Pro	168704.5938	119796.8203	108748.6328	4727.599121	5948.132324	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	98854.74219	111415.9063	105737.7734	175589.1406	138204.8281	121976.7578	313887.125	166125.7656	215042.75	470069.75	333381.3438	244676.5938	0	0	0	0	0	0	0	0	0	0	0	0	201269	116620.7734	91379.34375	62357.96484	20622.00195	22461.22852	88819.60938	21077.7207	22609.17969	67933.55469	22698.95313	25580.46875	0	0	0	0	4327.368164	0	0	0	5819.50293	0	0	0	149741.9688	125000.9141	102049.9922	107308.7969	57985.25391	45394.31641	105502.5234	31978.625	21628.00195	70393.09375	26434.56055	25043.37109	0	0	0	0	0	0	0	0	0	0	0	0
trans-Hexadec-2-enoylcarnitine	90403.82031	35268.44922	169187.3125	67682.0625	21897.51953	160652.5469	102123.2891	35059.29688	153968.9219	49040.18359	65976.42188	105632.5625	143302.2031	199727.7656	189663.4375	141377.8906	229404.6719	173297.3906	141581.2188	197385.0781	138864	242654.2344	185831	120079.0391	44440.48828	35234.34375	129192.7891	69970.02344	37473.10938	147351.4688	39322.71094	68722.9375	173550.3594	72695.73438	80417.32031	104939.5938	129346.2578	265081.0938	157664	145926.1406	165863.0156	175403.1406	161986.5	271596.9063	144101.7188	213094.9531	138809.2813	122447.5938	80554.97656	0	125814.8125	43367.10156	37127.97656	123943.7969	53405.01172	40842.88281	127616.1641	50105.29688	44011.05859	104534.5469	112379.5547	177763.4688	410591.875	117846.0625	228162.6875	177366.9688	89228.71875	149415.6563	136381.2969	92562.49219	189740	127748.1094	78143.36719	51202.37891	124146.7422	63497.37891	56744.98438	166285.6719	81047.92969	73335.50781	117568.9922	36648.28125	57180.02344	139762.7188	158382.4063	163925.7188	184769.7969	168961.7344	193386.0156	143807.6719	158499.8438	164117.6563	124331.5547	170453.6875	207132.0938	185239.2344
Tributyl phosphate	647167.5	233453.1719	426109.9375	697051.4375	242486.0625	203646.1406	993837	363994.5313	224177.3594	532287	252761.5313	309056	39807.64063	362778.375	309571.5	484684.875	179510.5781	306914.5	309096.0938	163625.9375	128732.9766	48542.92188	172079.625	102729.0391	250847.9063	328050.9063	158192.3594	653740.4375	317247.8125	424024.8438	296453.875	232772.3906	196783.1094	553745	206993.2344	740993.1875	580489.75	390604.9688	114750.0078	237241.2813	480387.4688	72387.72656	197065.7969	272464.9375	247642.3438	477794.5625	328613.125	403085.375	828852.1875	540166.125	321926.4063	501003.6563	172398.4844	321610.0625	703923.5	381788	230667.75	650630.375	406138.7188	332732.7813	584469.4375	543179.125	283811.8125	102725.8438	275985.125	95275.77344	166564.2188	231943.4844	274661.5625	134774.4688	258294.625	236277.7969	570813.6875	245022.1875	522865.9688	446968.5625	279225.9688	238565.9063	809165.3125	354853.8438	253101.2031	432432.3125	225043.8906	434889.0313	170679.7969	143236.2656	537308.875	229207	175613.4531	147297.3594	939682.125	438953.3438	189483.2813	398565.1563	324471.4688	367310.3125
Trihexosylceramide (d18:1/24:1(15Z))	139480.6875	137446.4531	80380.39844	130579.75	100456.6953	113421.125	85111.99219	163961.3281	103902.7109	123054.6172	272134.25	101903.5859	166546.9844	141301.8438	42844.02734	132863.6719	110886.3125	103277.1172	35561.04297	151218	88420.78125	191481.2344	97414.9375	78936.63281	82461.14063	97115.24219	88109.09375	111393.7344	83941.75	84605.46094	85890.53906	140797.4844	77699.35938	142555.625	113091.8203	106431.5703	149193.7813	204626.6406	107625.0234	208533.6719	133596.3594	90838.03125	74332.51563	169951.4375	106044.0313	156681.1719	37226.61328	80828.74219	165336.8281	154250.1094	130312.1016	57664.75781	187815.6406	78805.45313	124191.8125	194380.0313	83093.375	93806.89844	161456.2031	95714.86719	76485.32813	168103.2813	0	116762.9844	192240.625	49894.10938	116250.9297	136437.2656	68908.20313	190734.2031	199062.0156	149994.0625	140044.6406	88564.75781	63713.60938	69320.09375	130963.3984	123859.3203	136858.9375	179149.4375	112386.4688	102520.8984	88747.9375	92387.82031	67271.0625	166839.4688	112181.6016	100666.9063	204897.1875	80026.05469	91603.1875	160955.1563	72168.15625	196152.4063	106967.6719	58388.46484
tropine	119970.7109	121271.3281	132876.5625	136365.1563	76289.07813	88852.88281	114918.9922	75843.625	78061.88281	58822.59766	120026.3672	98797.98438	87451.60156	87787.21875	73712.05469	61342.72266	127385.375	66198.58594	54553.5625	64821.14453	76553.16406	96034.83594	73088.74219	70552.46875	76473.08594	75396.36719	158197.5938	77451.51563	122709.3281	94378.10156	88526.59375	106003.1094	59476.51953	82721.875	65409.49609	116849.1484	59883.61328	128283.3594	58239.68359	101541.0938	134834.3281	116486.3359	11754.76367	132246.1875	136659.0156	89621.26563	90055.78125	79388.23438	121404.2422	89690.38281	128215.0156	41746.11328	82387.54688	99022.39063	47021.40625	65860.24219	72492.83594	119772.9844	128743.5234	91977	65362.36719	78490.27344	68405.90625	50023.24219	78373.32813	68301.35156	99554.75	58158.25391	83774.47656	89963.5625	113398.8203	80421.375	159340.9688	52005.69141	70992.16406	55239.55469	57663.74609	115875.0156	55962.26953	117222.1953	87327.21875	30219.36133	68402.23438	111110.8594	51030.04688	110754.5703	92522.82031	80528.78906	62652.98828	84974.28906	109842.6953	85082.28906	109407.1484	73208.14063	76459.96094	160436.7969
Trp-Cys-Gly	29711.66797	21635.61523	72474.55469	39121.81641	29247.21289	39062.68359	23002.00781	36294.33984	49269.80078	26510.60156	24232.03906	45020.48438	23698.00195	53027.34766	33160.25781	30392.82227	41134.83203	50003.54688	32856.15234	35551.78516	46885.60938	29231.32422	33566.32422	48519.5	16464.57617	16741.41016	34815.94531	18191.49805	26187.10938	34581.64453	24212.81445	26865.44531	44805.13672	19282.76367	24703.29492	37585.99219	29715.80273	30330.79102	47488.07422	30988.6582	42187.33594	37342.11328	34320.51953	34311.83594	47864.23047	35113.99609	50617.80859	39796.60547	23912.12305	35552.39844	43500.94531	18915.53125	23918.73828	38935.53516	27802.56055	35307.32422	42910.54688	29947.08203	24118.13086	51092.61328	25854.15625	45865.87109	108085.0625	26611.03906	37746.92188	45232.48438	27130.96875	32522.18945	48782.66797	19200.72266	44108.91797	48150.32813	26795.66992	36478.64844	42115.03906	22769.92578	28990.32617	51462.10156	30365.18555	27379.12695	32297.82813	26617.92773	20892.63477	46533.58203	23702.25781	41794.89063	46856.38672	36751.22656	41348.96875	45646.64063	34898.44141	28602.21289	44286.10547	32419.79492	38370.23828	50919.92578
Tussilagine	43203.60156	40584.71094	78069.89844	53637.49219	43953.16797	77040.94531	41390.66016	54277.24609	65125.01953	35226.97266	24757.75781	92311.45313	54234.05859	70079.23438	79668.14063	67976.74219	74978.27344	77286.42969	63365.42969	85650.96875	75947.33594	47833.36719	85909.24219	79761	47262.37891	30482.33789	75607.80469	54101.71094	36379.20703	60530.01172	47509.81641	39690.05469	76461.90625	73058.34375	31196.48242	74269.96094	72190.05469	71203.33594	87841.82031	80633.67969	68186.78906	89658.21094	86261.07031	84767.00781	86290.89844	66030	127018.8203	96399.45313	41941.29297	39933.33203	69951.08594	45871.25391	45311.99609	46321.08984	58195.75781	55969.57422	69633.01563	55898.4375	48616.53516	86609.89063	65671.55469	61821.72266	141099.7031	66531.58594	71456.49219	85638.69531	71184.61719	77520.46094	63336.30469	61976.16016	81116.64063	60792.375	49743.75781	30068.22852	65180.48438	42620.92188	54465.12891	70174.11719	30285.13867	30724.86133	52207.92188	66496.39844	38908.48047	90619.57031	48589.58203	105560.3359	93030.20313	100128.2109	77322.16406	70729.73438	62366.0625	98653.52344	83737.61719	79083.375	94598.63281	81277.46094
Tyr-Tyr	106071.7031	75130.6875	87389.76563	77493.82031	106691.8906	81158.75	76482.94531	124452.8828	101710.5625	89633.65625	80209.54688	102572.3047	72546.67969	137409.9531	90770.96094	79475.5	123459.4609	67142.23438	68365.14063	97070.22656	113844.1328	57009.75	72702.25781	99235.85156	49511.87891	89707.48438	72978.40625	91972.4375	109106.0156	85774.61719	75882.41406	84484.875	104278.6328	90635.75781	77836.75781	96656.39063	97681.14844	85010.80469	106076.6172	76845.60938	105362.75	80046.41406	107981.0625	123531.2344	103892.2266	87304.39063	73156.14063	75194.72656	130141.5469	74071.75781	86095.38281	79077.95313	150318.3125	75384.05469	82759.10938	91903.10156	99301.71875	86579.17969	86275.41406	116644.6563	49842.35547	116631.6328	142425.4219	90197.21875	130403.2266	109036.0469	94049.42188	130446.8203	65776.10938	74483.0625	90926.57813	99419.22656	67825.71875	94469.48438	87324.60938	67058.27344	115159.2109	70663.23438	121297.9922	84205.60156	101339.1016	63879.8125	84452.46094	105132.5	43507.96094	126018.8984	110610.1875	101285.7969	136441.2031	67904.71094	108472.7031	84230.50781	99940.24219	102948.3672	81985.79688	95439.63281
UDP	361428.9063	342276.875	345774.5	457844.2813	361789.2813	305388.25	559167	332849.7188	364544.1563	385432.1563	320446.3438	334926.8438	340742.625	371240.5313	337163.2188	432593.1875	404779.4688	281952.8125	429861.4063	435586.375	314090.5625	426249.2813	406387.5938	245513.8438	404146.4375	245635.5469	308668.25	409410.4063	357338.2813	421260.4688	416741.5	396744.5938	375177.7188	437868.4688	462218.2813	408573.5625	367047.0938	388309.9688	233789.2031	492144.4063	424880.5	287314.5313	384021.7188	411620.125	289358.0313	526777	480791.625	287535.125	385021.75	304036.8438	330763.4063	362721.7188	342056.625	333436.125	433872.75	358010.125	327010.5625	429643.5625	383050.4063	343678.2813	366755.0938	438369.875	389703.5625	392652.0938	492726.4375	241471.0938	384707.3125	445270.0313	280023.4063	388717.9063	463667.6563	250030.1094	346253.5	324463.25	315591.5938	416823.3438	343901.9375	339271.4063	506561.4375	381482.5938	356172.7188	464985.0938	416103.2188	368600.4688	400905.875	401178.5938	218927.3438	494932.9375	433024.25	256651.4531	410481.3438	458199.9375	288316.7813	395152.3438	447859.125	258169.1406
Val-Ala	113172.4219	206037.7188	212625.1563	172810.5313	177539.8125	222660.6406	135335.5625	161849.5	211454	109549.7656	253506.0313	308145.9375	55673.24219	54347.14453	105816.6406	102221.0781	116481.9531	158256.8281	89687.64844	88948.39844	341918.3438	86701.48438	89481.13281	161849.8125	117546.8906	168641.0313	193720.3438	163305.1406	189935.4375	200113.7188	137771.2031	214640.625	153897.2969	116110.6172	236616.3438	167285.4375	47604.64453	60491.72656	106635.8594	107984.3125	107165.8281	195763.7969	91126.14063	97101.59375	156205.625	65274.57031	108125	131023.2422	88918.85156	147272.5469	184438.4844	137723.0313	185473.5	195653.9063	151548.3125	213696.5781	196652.9375	137442.8594	171196.0938	201393.1563	38748.51953	43568.42188	157530.1719	85018.69531	95645.75	173013.5156	73421.39063	97569.07813	143350.8438	63342.53906	84256.69531	115661.5391	103349.3672	168863.6406	186402.9844	144270.9219	286769.4688	282490.2188	153290.6563	171470.6406	178828.8438	95402.32031	163420.3906	176393.2344	54724.98438	55588.26563	115767.3203	88794.89844	125385.7266	201666.5469	77619.91406	120231.2813	184269.9844	97416.73438	113633.2891	165889.6094
Valeroidine	698413.5	785158.3125	738604	867596.25	797599.0625	806182.5	866274.3125	788356.5	722739.3125	979281.1875	852398.6875	690501.9375	805551	813002.125	802869.3125	886327.75	732082.375	696633	846244.5625	728864.1875	803655	756725.875	760972.5625	641376.9375	662238.8125	799115.375	717802.25	790529.1875	859230.125	644738.9375	781439.6875	847998.25	762451.875	848984.25	812742.1875	741439.625	828600	791965.0625	743950.375	834563.125	824065.4375	786909	956056.6875	613497.25	542826.25	823858.4375	803768.25	642608.125	835512.625	774731.625	805962.6875	764594.1875	821908.875	951870.5	877599.4375	853594.8125	689968.1875	762926.9375	750601.1875	666132.25	879857.125	915659.3125	863079.3125	614896.4375	784690.8125	838433.125	767446.3125	833670.8125	743624.1875	793055.5625	829234.8125	628026.125	806784.4375	802952.75	812706.9375	762595.25	839018.9375	684930.875	819703.4375	763058.4375	651839.5625	751865.5	817870.625	763397.0625	775098.875	813823.875	933571.625	824755.1875	727395.6875	737048	895485.875	844744.8125	790671.4375	872600.875	765891.375	730371.3125
Vicine	50900.67578	47892.58203	91759.76563	50592.07422	40363.98828	83090.14063	56938.30859	41396.37891	76169.98438	47215.5625	44305.13281	104824.8984	52118.9375	77311.17188	98587.875	68739.75	83032.41406	92328.29688	68787.54688	70507.9375	88962.22656	66176.96875	86674.50781	99830.19531	53702.80859	39727.45703	65290.62109	37140.53906	41273.33594	76163.96094	47745.84375	37650.83594	84729.92969	41949.23047	40483.59766	78134.75	67621.64063	65549.61719	86709.375	56938.92969	87048.98438	101689.5781	66594.78125	56180.46094	68887.76563	103628.0703	75740.75781	80937.32813	44669.60938	40014.78125	81691.32813	51167.74609	41038.22656	85672.51563	52081.25781	55052.95703	75440.23438	72030	37521.33984	102223.6719	78322.40625	63282.12891	139171.0625	56652.51172	67682.91406	77604.54688	52175.55078	70835.3125	88070.00781	55805.4375	90067.14063	93246.79688	44834.74219	42269.19141	79239.34375	59094.32813	43401.53125	90645.39063	57426.12109	42560.72266	87314.07813	35949.32422	35887.23047	73006.8125	60136.97656	85048.6875	66254.4375	61365.49219	71953.98438	79158.83594	63424.30859	59771.97266	75304.57813	66852.78906	82017.03906	96608.69531
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention time	mass	KEGG ID	HMDB ID	Lmid	InchiKEY
gamma-thiomethyl glutamate	14.56681882	193.0409671
(-)-Hygroline	28.51320861	143.130977	C10152			CWMYODFAUAJKIV-HTQZYQBOSA-N
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol	28.10781182	293.1990147	C04875			LGXDICLRWHYEIS-UHFFFAOYSA-N
(1R,4S)-fenchan-2-one	4.259011579	152.1200233			LMPR0102120031
(24R,24'R)-Fucosterol epoxide	4.086756691	428.3656759	C03910		LMST01040151	XUBCLKHKJZCPFZ-UMKPQZCOSA-N
[FA (5:2)] 2,4-pentadienoic acid	15.7240784	98.03676954			LMFA01030099	SDVVLIIVFBKBMG-ONEGZZNKSA-N
[FA hydroxy(18:0)] 9,10,12,13-tetrahydroxy-octadecanoic acid	28.16542801	365.2774806			LMFA01050105	VJOGZGLNDROOFS-UHFFFAOYSA-N
[FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid	4.392085587	311.2460099	C04780		LMFA02010007	BZXZFDKIRZBJEP-JMTMCXQRSA-N
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid	12.43107228	145.073886	C03656	HMDB12131	LMFA01060173	FAASBXNEOGMQHS-BYPYZUCNSA-N
[Fv hydroxy,methoxy,methyl,acetyl(5:0)] 3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)	12.72547124	668.172908			LMPK12120179	CXLJITRXRSNEQL-VHNCEHAZSA-N
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine	4.735890771	481.3535602	C13903		LMGP01060012	VLBPIWYTPAXCFJ-UHFFFAOYSA-N
[PC(18:3)]	4.712545024	517.3165752			LMGP01050037	MRTUWVDDQVMUCR-YOILPLPUSA-N
[PC(19:2)] 1-(1Z,12Z-nonadecadienyl)-sn-glycero-3-phosphocholine	28.40145484	519.3696444			LMGP01070010	ITLVMQFDCUMMDK-KAAGFHBGSA-N
[PR] (-)-alpha-Bisabolol	28.21721071	239.2247924	C09621		LMPR0103060001	RGZSQWQPBWRIAQ-CABCVRRESA-N
[PR] Farnesyl pyrophosphate	10.74672841	382.1310197	C00448	HMDB00961	LMPR0103010002	VWFJDQUYCIWHTN-YFVJMOTDSA-N
[SP (14:0)] 1-deoxy-tetradecasphinganine	7.817877647	229.2405332			LMSP01080033	WMUMHAZHWIUBPN-UONOGXRCSA-N
[SP (14:0)] N-(tetradecanoyl)-1-beta-glucosyl-sphinganine	10.91374516	695.5306279			LMSP0501AA28	SCBSLJVBXYHZPZ-ISTDJTIDSA-N
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine	4.841453893	537.5126429	C00195	HMDB04949	LMSP02010004	YDNKGFDKKRUKPY-TURZORIXSA-N
[SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocholine	4.681493129	840.7079358			LMSP03010009	YXEXWUZHFGYOHJ-UOJCCMJYSA-N
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol	4.293050976	287.2459592			LMSP01080049	SEUBYHFHBZVRCC-QGAIPKOMSA-N
[SP] Pramanicin	22.3919828	386.2417773			LMSP01080048	BOWRHOKHYKPEAR-YRMVZDNFSA-N
[SP] Sphing-4-enine	4.887708808	299.2823336	C00319	HMDB00252	LMSP01010001	WWUZIQQURGPMPG-KRWOKUGFSA-N
[SP] Sphinganine-1-phosphate	7.859941624	381.2642408	C01120	HMDB01383	LMSP01050002	YHEDRJPUIRMZMP-ZWKOTPCHSA-N
[ST Trihydroxy,ox] 3alpha,7beta,12alpha-Trihydroxy-6-oxo-5alpha-cholan-24-oic Acid	28.48290542	422.2676214			LMST04010262	MUKLYGDZYBKLNY-KKJTVWOLSA-N
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene	5.138406107	368.3443054			LMST03020618	FXKMDILIEQILCA-VDVRBEGSSA-N
1-(11Z-octadecenyl)-sn-glycero-3-phosphocholine	4.671066757	507.3693372			LMGP01060034
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	3.746883679	602.5270134			LMGL02070004	QCHBHNNYXGOTCL-GXJVVETESA-N
1-(O-alpha-D-glucopyranosyl)-3-keto-(25R,27R)-octacosanediol	28.37563759	618.4711818			LMFA13010023	RNTKVHFMPKUBEV-UOYNGNGWSA-N
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one	7.965275811	162.0350212	C15606	HMDB12134		CILXJJLQPTUUSS-XQRVVYSFSA-N
1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha- D-mannosyl-1,2-alpha-D-mannosyl-D-mannose	17.37363026	891.2837602	C04923			JMTBNWRTXSLTIC-CDJUDSBSSA-N
13-14-DihydroPGF-1a	4.199466431	375.2984664		HMDB05076		WMHAOJIJVNDMKA-BRIYLRKRSA-N
1-4-beta-D-Glucan	3.878137092	536.1591186	C00760	HMDB06944		LRQOQMWIEDQCHM-XCJASTIHSA-N
2-(acetylamino)-1-5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	14.81106136	365.1321244		HMDB02278		SXLFMZWGFIBWMJ-QTGWYDPFSA-N
2(alpha-D-Mannosyl)-D-glycerate	14.72938857	290.0614585	C11544			DDXCFDOPXBPUJC-SAYMMRJXSA-N
2,3-Dimethylmaleate	15.15649795	144.042257	C00922			CGBYBGVMDAPUIH-ARJAWSKDSA-N
2,4-diamino-6-methyl-5,3'-(2-trifluoromethylphenoxy)prop-1'-yloxypyrimidine	16.46391113	381.0936418
2-Amino-2-deoxy-D-gluconate	12.390852	195.0744037	C03752			UFYKDFXCZBTLOO-UHFFFAOYSA-N
2-amino-2-deoxyglucitol-6-phosphate	14.73609396	261.0613108				LBNVXZROMBUNNQ-UHFFFAOYSA-M
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate	12.02237043	191.079452
2-Amino-9,10-epoxy-8-oxodecanoic acid	12.74097911	215.1158217	C12027		LMFA01060176	PFDHVDFPTKSEKN-JAVCKPHESA-N
2-Aminoacrylate	15.55263063	87.03203452	C02218	HMDB03609		UQBOJOOOTLPNST-UHFFFAOYSA-N
2-Aminophenol	27.84683339	148.0159771	C01987			CDAWCLOXVUBKRW-UHFFFAOYSA-N
2-chloro-3-methyl-maleylacetate	17.64962851	205.9980993
2-Ethylhexyl phthalate	28.23343015	278.1516956	C03343	HMDB13248		DJDSLBVSSOQSLW-UHFFFAOYSA-N
2-Methylbutyroylcarnitine	8.196922913	245.1627535		HMDB00378		IHCPDBBYTYJYIL-UHFFFAOYSA-N
2-S-Glutathionyl acetate	16.15329505	365.0893624	C14862			WBINJBFJLWYSJZ-BQBZGAKWSA-N
2-trans,4-cis-Decadienoylcarnitine	27.85929141	311.2095679		HMDB13325
3-(4-Hydroxyphenyl)lactate	27.85997635	182.058023	C03672	HMDB00755		JVGVDSSUAVXRDY-UHFFFAOYSA-N
3,3',4',5,7-Pentahydroxy-8-methoxyflavone	14.54782582	332.0530692	C04527		LMPK12113234	ZASFHSAGASJGRN-UHFFFAOYSA-N
3,4-Dihydroxy-L-phenylalanine	4.983171966	197.0688735	C00355	HMDB00609		WTDRDQBEARUVNC-LURJTMIESA-N
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene	4.231579198	190.1721594			LMFA11000055	PEQDBIZKCMKPKU-VTCWLERASA-N
3,7,11,15-Tetramethyl-6,10,14-hexadecatrien-1-ol	4.914059376	309.3031098			LMFA05000210	ZKWFMIAGZQACFE-NWLVNBMCSA-N
3-beta-D-Galactosyl-sn-glycerol	13.70565342	276.0820409	C05401	HMDB06790		NHJUPBDCSOGIKX-NTXXKDEISA-N
3-Butylidene-7-hydroxyphthalide	28.24228064	204.0787216	C09921			XLFDJKJEYMKLJX-YFHOEESVSA-N
3-Deoxy-D-manno-octulosonate 8-phosphate	15.60364494	335.0616315	C04478			RTNBXJBOAIDPME-SHUUEZRQSA-N
3-Methyl-2-oxobutanoic acid	12.6661393	116.0473482	C00141	HMDB00019	LMFA01020274	QHKABHOOEWYVLI-UHFFFAOYSA-N
3-Methyleneoxindole	11.55962333	145.0527324	C02796			IGXUUWYVUGBMFT-UHFFFAOYSA-N
4-Amino-5-hydroxymethyl-2-methylpyrimidine	7.632237103	139.0745197	C01279			VUTBELPREDJDDH-UHFFFAOYSA-N
4-Aminobutanal	10.48599319	87.0682618	C00555	HMDB01080		DZQLQEYLEYWJIB-UHFFFAOYSA-N
4-Aminobutanoate	12.42204659	103.0633366	C00334	HMDB00112	LMFA01100039	BTCSSZJGUNDROE-UHFFFAOYSA-N
4-Heptyloxyphenol	7.848887654	225.1729751	C14236			HZBABTUFXQLADL-UHFFFAOYSA-N
4-Hydroxy-4-methylglutamate	12.64039502	177.0637932	C06034			ONTAOGAXMOTXQW-DZSWIPIPSA-N
4-Oxocyclohexanecarboxylate	28.19140323	142.0629531	C03767			OWLXUYGCLDGHJJ-UHFFFAOYSA-N
5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide	10.43154526	537.1119361			LMPK12112942	CHIQYVBCRPLTQS-IBIMWZLVSA-N
5-Acetamidopentanoate	12.56342678	159.0895708	C03087	HMDB12175		TZZSWAXSIGWXOS-UHFFFAOYSA-N
5-Guanidino-2-oxopentanoate	14.13336091	173.0801086	C03771	HMDB04225		ARBHXJXXVVHMET-UHFFFAOYSA-N
5-Hydroxy-L-tryptophan	10.77649248	220.0847443	C00643	HMDB00472		LDCYZAJDBXYCGN-VIFPVBQESA-N
5-Nitro-2-(3-phenylpropylamino)benzoic acid	4.745073648	300.1108854	C13705			WBSMIPAMAXNXFS-UHFFFAOYSA-N
6,7-Dimethyl-8-(1-D-ribityl)lumazine	12.83120704	326.12261	C04332	HMDB03826		SXDXRJZUAJBNFL-XKSSXDPKSA-N
6-Acetyl-D-glucose	14.10226253	222.0739708	C02655			ILLOJQCWUBEHBA-JAJWTYFOSA-N
6-Hydroxyl-1,6-dihydropurine ribonucleoside	14.6564447	270.0963429	C04583			WGRXVKRHIMUTPD-AFPKLJJXSA-N
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate	15.60828168	173.008986	C04584			BQEPLNUEGNSUTM-UHFFFAOYSA-N
6-methyltetrahydropterin	10.19581853	181.0963744		HMDB02249		HWOZEJJVUCALGB-UHFFFAOYSA-N
6Z,9Z-Eicosadien-11-ol	4.83777559	311.3187442			LMFA05000532	HLRILOHBDLRFQX-OHNCOSGTSA-N
6Z-Tetradecene	7.854825652	213.2456679			LMFA11000089	BIODCQQZTGWGNH-QBFSEMIESA-N
9-oxo-11R,15S-dihydroxy-16,16-dimethyl-13E-prostaenoic acid	5.375687929	399.2986443			LMFA03010057	RQOFITYRYPQNLL-ZWSAOQBFSA-N
Adenine	9.661480957	135.0544722	C00147	HMDB00034		GFFGJBXGBJISGV-UHFFFAOYSA-N
Adenosine	9.17930775	267.0967079	C00212	HMDB00050		OIRDTQYFTABQOQ-KQYNXXCUSA-N
Ala-Ala-Ala-Ser	17.78479578	318.1538342
Ala-Ala-Gln-Ser	7.83897227	375.1748268
Ala-Asp	15.65554391	204.0746241				XAEWTDMGFGHWFK-IMJSIDKUSA-N
Ala-Asp-Cys-Ser	17.1220869	394.1158232
Ala-Asp-Ser	15.55091411	291.1065889
Ala-Glu-Glu-His	15.24980213	484.1920728
Ala-His	14.76440172	226.1066701				XZWXFWBHYRFLEF-UHFFFAOYSA-N
Ala-Leu-Asn-Ser	27.86657744	403.2063292
Ala-Leu-Gln-Ser	27.87344303	417.2219873
Ala-Leu-Trp-Ser	4.7653941	475.2433539
Ala-Lys-Ala-Arg	7.837979684	444.2810175
Ala-Lys-Asp-Gly	27.86080007	389.1907041
Ala-Lys-Asp-Pro	14.71401082	429.2224427
Ala-Lys-Lys-Asp	14.1951682	460.2647865
Ala-Phe-Arg-His	4.767400654	529.2752871
Ala-Pro	11.36470542	186.1005316				WPWUFUBLGADILS-WDSKDSINSA-N
Ammodendrine	4.897927525	208.1575789	C10125			APKLQIQRPUDADG-GFCCVEGCSA-N
Antheridiogen-An	14.63952408	360.1578329	C09062			MALNZFMESUARAT-HGJZFELWSA-N
Apigenin 7-(6''-malonylglucoside)	15.10330321	518.1070139	C10020		LMPK12110373	JXWAQRJFONLTSI-ASDZUOGYSA-N
Arg-Asp-Asp-Gly	16.96354814	461.1872425
Arg-Glu-Ile-Val	28.40352051	532.3339111
Arg-Lys-Val-Ser	7.837739803	488.3074617
Asn-Asp	15.56326313	247.0804369
Asn-Glu-Glu-Ser	3.912186099	477.171008
Asn-Gly-Tyr-Tyr	28.39400863	515.201528
Asn-Leu-Gly-Ser	7.834341513	389.1904822
Asn-Leu-Pro-Pro	10.8212592	439.24312
Asn-Lys-Gly-Pro	15.44561984	414.2227122
Asn-Pro	13.66761374	229.1062949
Asn-Thr-Asn-Asn	17.80954567	461.1871713
Asn-Val-Gly-Ser	27.85406671	375.1750302
Asp-Arg	16.42124622	289.138529
Aspartyl-L-proline	15.11830926	230.0906635		HMDB02335		UKGGPJNBONZZCM-WDSKDSINSA-N
Asp-Gly-Arg	17.66959627	346.1600442
Asp-Leu-Lys-Asp	13.98591654	489.2436778
Asp-Met-Gln-Gln	14.14055049	520.1956222
Asp-Val-Pro-Ser	10.08192992	416.1906838
Benzene-1,2,4-triol	15.32550291	126.031663	C02814			GGNQRNBDZQJCCN-UHFFFAOYSA-N
Betaine aldehyde	27.9724366	101.084095	C00576	HMDB01252		SXKNCCSPZDCRFD-UHFFFAOYSA-N
Biotin amide	10.56221879	243.1038793	C01893	HMDB01458		XFLVBMBRLSCJAI-ZKWXMUAHSA-N
CAPS	9.173562701	221.108591				PJWWRFATQTVXHA-UHFFFAOYSA-N
Cathasterone	17.30297239	454.3427044	C15790			JSVPGVHCEQDJCZ-UCGQCVSHSA-N
Cer(d40:1)	4.950523734	621.6057629		HMDB11766		AOHMXFJFQLUIJL-RDUWXOKWSA-N
Cerulenin	14.45105605	223.1208651	C12058			GVEZIHKRYBHEFX-NQQPLRFYSA-N
CHAPS	9.166676892	614.3961375	C11321			UMCMPZBLKLEWAF-BCTGSCMUSA-N
Cholesta-5,7-dien-3beta-ol	5.064383823	384.3393085	C01164	HMDB00032	LMST01010069	UCTLRSWJYQTBFZ-DDPQNLDTSA-N
Chrysoidine free base	4.758208917	229.1326637	C14617			IWRVPXDHSLTIOC-FOCLMDBBSA-N
Cinchonain 1a	14.32854505	469.1366643	C10217		LMPK12020084	LKCOZWLUAKSRQM-UMAWSMADSA-N
cis-1,2-Dihydronaphthalene-1,2-diol	28.23286454	162.0680401	C04314			QPUHWUSUBHNZCG-VHSXEESVSA-N
Citrate	17.73439889	209.0536108	C00158	HMDB00094		KRKNYBCHXYNGOX-UHFFFAOYSA-N
CMP	16.23454914	323.0517555	C00055	HMDB00095		IERHLVCPSMICTF-XVFCMESISA-N
Convicine	17.92315489	305.0858542	C08430			JJWYIMQKLTVAGZ-SYCVNHKBSA-N
Creatinine	9.805680654	113.0589137	C00791	HMDB00562		DDRJAANPRJIHGJ-UHFFFAOYSA-N
Cumene	4.232867346	120.0938347	C14396			RWGFKTVRMDUZSP-UHFFFAOYSA-N
Cyclic ADP-ribose	14.0894628	541.0613822	C13050			BQOHYSXSASDCEA-KEOHHSTQSA-N
Cys-Met-Cys-Tyr	3.875294408	535.1585836
Cytidine	13.68997316	243.0855314	C00475	HMDB00089		UHDGCWIWMRVCDJ-XVFCMESISA-N
D-4'-Phosphopantothenate	14.91268136	299.0768872	C03492	HMDB01016		XHFVGHPGDLDEQO-ZETCQYMHSA-N
dCMP	15.18694308	307.0569272	C00239	HMDB01202		NCMVOABPESMRCP-SHYZEUOFSA-N
decanamide	28.57515381	171.162293			LMFA08010005	TUTWLYPCGCUWQI-UHFFFAOYSA-N
Decanoyl-CoA	14.18257326	921.2524858	C05274	HMDB06404	LMFA07050022	CNKJPHSEFDPYDB-BOJFXZHGSA-N
Dehydrophytosphingosine	28.25783555	315.2771515			LMSP01030002	CQKNELOTFUSOTP-HMTIOLNVSA-N
Deoxycytosine	7.72091722	97.06401507	C02026			WKKCYLSCLQVWFD-UHFFFAOYSA-N
D-Fructose 1,6-bisphosphate	18.7131462	339.9959875	C00354	HMDB01058		RNBGYGVWRKECFJ-VRPWFDPXSA-N
DG(34:1)	3.881753853	611.5487828			LMGL02010004	GSEVZLBSIOIEFK-AAOCECEDSA-N
DG(36:1)	4.669867407	639.5802741	C00165	HMDB07160	LMGL02010043	SAEPUUXWQQNLGN-LVVMQYBKSA-N
DG(36:2)	4.991277587	637.5645931	C00165	HMDB07218	LMGL02010049	AFSHUZFNMVJNKX-LLWMBOQKSA-N
D-Glucono-1,5-lactone	13.20764622	178.0477786	C00198	HMDB00150		PHOQVHQSTUBQQK-SQOUGZDYSA-N
D-Glucosamine	16.33616206	179.0794163	C00329	HMDB01514		MSWZFWKMSRAUBD-IVMDWMLBSA-N
D-Glucosamine 6-phosphate	15.63062724	259.0456976	C00352	HMDB01254		XHMJOUIAFHJHBW-IVMDWMLBSA-N
D-Glucose 6-phosphate	16.51339816	282.0116074	C00092	HMDB01401		NBSCHQHZLSJFNQ-GASJEMHNSA-N
Dibenzo[1,4]dioxin-2,3-dione	16.0529082	236.0086666	C03861			OEZWQQMRIGCJRU-UHFFFAOYSA-N
dibenzothiophene-5-oxide	11.71448413	200.0297675				NGDPCAMPVQYGCW-UHFFFAOYSA-N
Dihydrochelirubine	14.02858109	363.1100683	C05194			JPXUJRDPZQUCNV-UHFFFAOYSA-N
Docosa-4-7-10-13-16-pentaenoylcarnitine	4.510786687	473.3507302		HMDB06321		KRXOUZZWQXTUIB-IDERWEGCSA-N
Dodecanamide	28.61011937	199.1936362	C13831		LMFA08010001	ILRSCQWREDREME-UHFFFAOYSA-N
D-Sedoheptulose 7-phosphate	16.00750002	290.040206	C05382			JDTUMPKOJBQPKX-UHFFFAOYSA-N
Ectoine	12.94556569	142.0742136	C06231			WQXNXVUDBPYKBA-YFKPBYRVSA-N
Elaeokanine C	4.787395179	211.1572648	C10592			JWTAWEGUCCQPAM-USWWRNFRSA-N
Epigallocatechin 3,5,-di-O-gallate	14.91320275	610.0947597			LMPK12020125	RKUDRJTZBDEGNP-YIXXDRMTSA-N
Epsilon-(gamma-Glutamyl)-lysine	15.213536	275.1481362		HMDB03869		JPKNLFVGUZRHOB-YUMQZZPRSA-N
epsilon-Caprolactam	28.24107199	113.0840489	C06593			JBKVHLHDHHXQEQ-UHFFFAOYSA-N
Ethanolamine phosphate	15.87183877	141.0191066	C00346	HMDB00224		SUHOOTKUPISOBE-UHFFFAOYSA-N
Evoxanthidine	14.95112892	291.0507043	C10668			HHCAZEOWGVDROC-UHFFFAOYSA-N
FA (12:1) dodecenoic acid	28.18410214	198.162063		HMDB10729	LMFA01030037	PAWGRNGPMLVJQH-ZHACJKMWSA-N
FA (12:2)	28.23385054	213.1729206			LMFA01030230	HQSBWLQFLLMPKC-BNFZFUHLSA-N
FA (13:2) tridecadienoic acid	4.822308474	227.1885203			LMFA01030244	PTYZGNZCLHAQEB-BNFZFUHLSA-N
FA (14:1)nonanoic acid	10.14797794	246.1593577			LMFA01030191	DTHSUAKYTFUSQU-UHFFFAOYSA-N
FA (14:2) tetradecadienal	4.637932055	208.1827739			LMFA06000082	NGKCMQUFXPQZQW-AVQMFFATSA-N
FA (16:2)	4.222310098	252.2089127			LMFA01030109	RVEKLXYYCHAMDF-AOSYACOCSA-N
FA hydroxy(18:1)]	4.231608273	331.272106			LMFA01050126	XEBKSQSGNGRGDW-JXMROGBWSA-N
Fenothiocarb	16.54906418	292.0769431	C11084			HMIBKHHNXANVHR-UHFFFAOYSA-N
Fructoselysine 6-phosphate	16.3111664	388.1247063	C16489			ZICZRZZPXBCXCE-UHFFFAOYSA-N
gamma-Glutamyl-Se-methylselenocysteine	16.00561798	312.0221023	C05695	HMDB10716		IEFQLTYCECVOLL-UHFFFAOYSA-N
gamma-L-Glutamyl-L-cysteine	8.369983211	250.0623197	C00669	HMDB01049		RITKHVBHSGLULN-WHFBIAKZSA-N
Ganglioside GA1 (d18:1/24:1(15Z))	7.93178334	668.4300036	C06136	HMDB04906		HVSCPOORNCFFOM-FLSKXLKNSA-N
GDP	17.67288387	443.024342	C00035	HMDB01201		QGWNDRXFNXRZMB-UUOKFMHZSA-N
GDP-3,6-dideoxy-D-galactose	12.54691515	573.0873595	C05136			GRUFZTGABLSDFG-PHMHICHTSA-N
GDP-mannose	17.87360678	605.077454	C00096	HMDB01163		MVMSCBBUIHUTGJ-GDJBGNAASA-N
Glu-Ala-Ser	14.56832562	305.1221327
Glu-Cys-Thr	11.87850048	351.1099448
Glu-Glu	16.55490941	276.0957016	C01425			KOSRFJWDECSPRO-WDSKDSINSA-N
Glu-Glu-Pro	16.63024292	373.1484531
Glu-Gly	15.19613666	204.0746385				IEFJWDNGDZAYNZ-UHFFFAOYSA-M
Glu-His-Val	10.95152197	383.1805387
Glu-Met-Ser	11.81282416	365.1255601
Glu-Pro	14.94192064	244.1059412
Glycyl-leucine	13.73004022	188.1160055	C02155	HMDB00759		DKEXFJVMVGETOO-LURJTMIESA-N
Gly-Gly-Pro	12.2651517	229.1063084
Gly-His	11.84214956	212.0912183				RXAOVSDTBKWPLP-GDVGLLTNSA-N
Guanine	12.29290755	151.0494212	C00242	HMDB00132		UYTPUPDQBNUYGX-UHFFFAOYSA-N
Heme	13.20997466	615.1690688	C00032	HMDB03178		KABFMIBPWCXCRK-RGGAHWMASA-L
Heptadecanoylcarnitine	4.637691781	413.3505772		HMDB06210		DWSFAVOTORHAAL-UHFFFAOYSA-N
Heterodendrin	12.06023334	261.1211918	C08332			CQWWASNOGSDPRL-MPVQUNCYSA-N
Homocarnosine	14.17306774	240.1223105	C00884	HMDB00745		CCLQKVKJOGVQLU-QMMMGPOBSA-N
Homostachydrine	10.08847763	157.1102429	C08283			XULZWQRXYTVUTE-ZETCQYMHSA-N
Hydroxybutyrylcarnitine	11.39843879	247.142007		HMDB13127
Hydroxyhexanoycarnitine	9.249456966	275.1731017		HMDB13131
Hydroxypropionylcarnitine	28.27613334	233.1262848		HMDB13125
Ile-Cys-Gly	10.95963642	291.1251788
Ile-Leu	13.30902429	244.1787226
Imidazole-4-methanol	7.734670108	98.04801493	C05562			QDYTUZCWBJRHKK-UHFFFAOYSA-N
Indoleacrylicacid	8.774776799	187.063376		HMDB00734		SXOUIMVOMIGLHO-AATRIKPKSA-N
Inosine	10.94829759	268.0806862	C00294	HMDB00195		UGQMRVRMYYASKQ-KQYNXXCUSA-N
Isovalerylglutamicacid	4.774733746	231.1106858		HMDB00726		HCVIJONZMYVLAW-ZETCQYMHSA-N
Lacto-N-tetraose	16.51611901	724.2750686	C06371	HMDB06566		AXQLFFDZXPOFPO-FSGZUBPKSA-N
L-Alanine	15.04655355	89.0476961	C00041	HMDB00161		QNAYBMKLOCPYGJ-REOHCLBHSA-N
L-beta-aspartyl-L-leucine	12.29524517	246.1216199		HMDB11166		IYJILWQAFPUBHP-UHFFFAOYSA-N
L-Carnitine	11.8797686	161.105194	C00487	HMDB00062		PHIQHXFUZVPYII-UHFFFAOYSA-O
L-Cystine	16.09083757	240.0239159	C00491	HMDB00192		LEVWYRKDKASIDU-UHFFFAOYSA-N
Leu-Leu-Leu-Leu	11.73008203	470.3470474
L-gamma-glutamyl-L-isoleucine	10.89072596	260.1371021		HMDB11170		SNCKGJWJABDZHI-UHFFFAOYSA-N
L-Histidine	13.89556537	155.0695131	C00135	HMDB00177		HNDVDQJCIGZPNO-YFKPBYRVSA-N
L-Homocitrulline	15.10901221	189.1114217	C02427	HMDB00679		XIGSAGMEBXLVJJ-YFKPBYRVSA-N
L-isoleucyl-L-proline	11.93666769	228.1473954		HMDB11174		BBIXOODYWPFNDT-UHFFFAOYSA-N
L-Methionine S-oxide	13.21186567	165.0459606	C02989	HMDB02005		QEFRNWWLZKMPFJ-YGVKFDHGSA-N
Longifolonine	7.832085924	314.1265778	C09569			XUPKMHYGWVWELF-UHFFFAOYSA-N
L-Phenylalanine	5.012787101	165.0789889	C00079	HMDB00159		COLNVLDHVKWLRT-QMMMGPOBSA-N
L-Pipecolate	12.41124127	129.0789874	C00408	HMDB00716		HXEACLLIILLPRG-YFKPBYRVSA-N
L-Tyrosine methyl ester	4.923959538	195.0896995	C03404			MWZPENIJLUWBSY-VIFPVBQESA-N
Luciduline	28.41605373	207.1623576	C09872			PISGDLOMGNKHKP-ROHXPCBUSA-N
L-Valine	14.29307365	117.0789881	C00183	HMDB00883		KZSNJWFQEVHDMF-BYPYZUCNSA-N
Lycoflexine	28.19013442	275.1884324	C09879			SJIMDGIDDDGXLI-OSRSDYAFSA-N
Lys-Asp	18.01901291	261.132357		HMDB04987		OAMLVOVXNKILLQ-BQBZGAKWSA-N
Lys-Asp-Gly	16.09472114	318.1538233
Lys-Gly	16.57454327	203.127076
LysoPC(18:1)	7.831650685	521.3487815			LMGP01050106	HEEMBWYZIJABCR-ZXAYODBVSA-N
LysoPC(20:0)	4.542624422	551.3957328	C04230	HMDB10390	LMGP01050045	UATOAILWGVYRQS-HHHXNRCGSA-N
LysoPC(O-16:1)	4.684611681	479.3377421			LMGP01060029	PLQWZMJRHVARFU-NFPSEPLVSA-N
LysoPC(O-18:2)	4.685752475	509.384944	C04317	HMDB11149	LMGP01060014	XKBJVQHMEXMFDZ-AREMUKBSSA-N
LysoPE(18:0)	4.731864431	481.3173185		HMDB11129		KIHAGWUUUHJRMS-JOCHJYFZSA-N
LysoPE(18:1)	4.649705398	479.3015208			LMGP02060004	CDONWGCJDDHTLP-DJYGDJEFSA-N
LysoPE(18:2)	4.667134678	477.2858547		HMDB11507	LMGP02050011	DBHKHNGBVGWQJE-USWSLJGRSA-N
LysoPE(20:0)	4.687229608	509.3485038		HMDB11511	LMGP02050012	HEQMDGOBDIGJOC-XMMPIXPASA-N
LysoPE(20:4)	4.603681307	501.2858038		HMDB11487		YWOCITMXHHTBAW-XSQXPFHXSA-N
LysoPE(22:6)	4.548418639	525.2860384		HMDB11526	LMGP02050013	XEVRBOQZSXWGQO-PAUXXPOVSA-N
LysoPE(24:1)	28.43443655	563.3955198		HMDB11498		URXBHXIAPOQMMQ-YLUWWHAYSA-N
Lys-Pro	15.1270347	243.1582933				AIXUQKMMBQJZCU-IUCAKERBSA-N
Lys-Thr-Ser	15.39903286	334.1851095
Lys-Thr-Thr	15.30198778	348.2008194
Lys-Val	13.69139568	245.1739762				YQAIUOWPSUOINN-UHFFFAOYSA-N
Magnoshinin	11.16998426	431.2308142	C10658			MWJAXRZVJODRGN-FPTDNZKUSA-N
Melicopicine	4.350819947	346.1528338	C10722			URPVDDXMEZAEJY-UHFFFAOYSA-N
Met-Ala	10.44929868	220.0883495
Met-Asp-Ser	13.40407042	351.1100754
Met-Met-Met	14.00950597	411.131233
Met-Ser	10.45167427	236.083337				WEDDFMCSUNNZJR-UHFFFAOYSA-N
Met-Thr-Asp	13.22215492	365.1254538
Montanin A	28.37550112	312.1360497	C09136			CZGWUKXZLUIKBU-IUYNRSMJSA-N
Myricoside	3.85503151	773.2739497	C10479			KAKUSAKVVYFENV-SBLIKUSGSA-N
Myxalamid D	28.28226779	390.2883576	C12161			SJFXXCHPVOUCOT-GWBIGIMOSA-N
N-(L-Arginino)succinate	16.66673662	290.1225859	C03406	HMDB00052		KDZOASGQNOPSCU-WDSKDSINSA-N
N(pi)-Methyl-L-histidine	12.45356066	169.0853005	C01152	HMDB00001		JDHILDINMRGULE-LURJTMIESA-N
N2-(D-1-Carboxyethyl)-L-arginine	14.11238701	246.1327906	C04137			IMXSCCDUAFEIOE-GDVGLLTNSA-N
N2-(D-1-Carboxyethyl)-L-lysine	17.037993	218.1266969	C04020			ZZYYVZYAZCMNPG-RQJHMYQMSA-N
N2-Acetyl-L-aminoadipate	14.84494305	203.0792791	C12986			FTTGAAZKBNZDCZ-LURJTMIESA-N
N6-Acetyl-N6-hydroxy-L-lysine	17.79798846	204.1110551	C03955			YXKGOSZASIKYPU-ZETCQYMHSA-N
N-acetyl -D- glucosaminitol	12.08642279	223.1056838				DWAICOVNOFPYLS-LXGUWJNJSA-N
N-Acetyl-D-glucosaminate	12.54436903	237.0848884	C01133			LZKNVSNNPRQZJB-UHFFFAOYSA-N
N-Acetyl-D-mannosamine	13.56933695	221.0899928	C00645	HMDB11744		OVRNDRQMDRJTHS-ZTVVOAFPSA-N
N-Acetyl-L-leucine	11.79906385	173.1052435	C02710	HMDB11756		WXNXCEHXYPACJF-ZETCQYMHSA-N
N-Acetylneuraminate	14.70479945	309.1058087	C00270	HMDB00230		SQVRNKJHWKZAKO-LUWBGTNYSA-N
N-Acetyl-O-acetylneuraminate	14.95367349	351.1169154	C03708			NYWZBRWKDRMPAS-UHFFFAOYSA-M
N-Acetylornithine	13.45209316	174.1005479	C00437	HMDB03357		JRLGPAXAGHMNOL-LURJTMIESA-N
N-Acetylputrescine	18.21584204	130.11063	C02714	HMDB02064		KLZGKIDSEJWEDW-UHFFFAOYSA-N
N-Acetylvanilalanine	4.566697659	253.0950054		HMDB11716		UKDKTHYZLXZOSS-UHFFFAOYSA-N
NADH	13.05986812	665.1248764	C00004	HMDB01487		BOPGDPNILDQYTO-NNYOXOHSSA-N
N-Carbamoyl-L-aspartate	16.39829942	176.0434088	C00438	HMDB00828		HLKXYZVTANABHZ-REOHCLBHSA-N
N-Carbamyl-L-glutamate	15.25694599	190.059038	C05829			LCQLHJZYVOQKHU-VKHMYHEASA-N
N-D-Glucosylarylamine	4.761300358	255.1105661	C03142			LKZGXPMJCWRGTC-RMPHRYRLSA-N
N-Ethylmaleimide	12.26950226	125.0476342	C02441			HDFGOPSGAURCEO-UHFFFAOYSA-N
Neuraminic acid	16.7444668	267.0954201	C06469	HMDB00830		CERZMXAJYMMUDR-QBTAGHCHSA-N
Nicotinamide	7.85516544	122.0479745	C00153	HMDB01406		DFPAKSUCGFBDDF-UHFFFAOYSA-N
Nicotinamide D-ribonucleotide	13.88955796	334.0564749	C00455	HMDB00229		DAYLJWODMCOQEW-TURQNECASA-N
Nicotinate D-ribonucleoside	16.59133065	277.0562251	C05841	HMDB06809		PUEDDPCUCPRQNY-ZYUZMQFOSA-O
N-Methylpelletierine	28.33753968	155.1310031	C06184			TYHJMEIBGDDCPA-UHFFFAOYSA-N
N-stearoyl tyrosine	4.56713026	447.3349857			LMFA08020100	YKWCFTGLODSOSB-VWLOTQADSA-N
O-9Z,12Z-Hexadecadienoyl-R-carnitine	7.817120043	423.334703			LMFA07070009
O-Butanoylcarnitine	8.94556742	231.1471191	C02862	HMDB02013	LMFA07070003	QWYFHHGCZUCMBN-UHFFFAOYSA-N
octulose 8-phosphate	16.17274085	320.0507882
Octylamine	6.438333891	129.1517608	C01740			IOQPZZOEVPZRBK-UHFFFAOYSA-N
O-Palmitoyl-R-carnitine	5.912475593	399.3349412	C02990	HMDB00222	LMFA07070004	XOMRRQXKHMYMOC-OAQYLSRUSA-N
Ophthalmicacid	13.2693704	289.1273631		HMDB05765		JCMUOFQHZLPHQP-BQBZGAKWSA-N
Orotate	11.98575237	156.0171451	C00295	HMDB00226		PXQPEWDEAKTCGB-UHFFFAOYSA-N
Otonecine	11.1624718	185.1052743	C10356			GRAGROPQORVALZ-VKWJFSHESA-N
Ovothiol disulfide	15.73929448	456.1613145
Pantothenate	8.630025907	219.1106868	C00864	HMDB00210		GHOKWGTUZJEAQD-ZETCQYMHSA-N
PC(18:2)	4.666302153	519.3321898			LMGP01050034	CLDXAAPENVNFAW-JRMAHNDFSA-N
PC(30:0)	4.154181105	705.5311144			LMGP01010702	RFVFQQWKPSOBED-PSXMRANNSA-N
PC(32:0)	6.269043083	733.5623464				NRPOMZRRLOEOKX-KXQOOQHDSA-N
PC(32:1)	4.875690267	731.5475874	C00157	HMDB07872	LMGP01010490	GMJKBBMXRYZKEP-WYRBGLKBSA-N
PC(32:2)	4.108829558	729.5308751				GPWHCUUIQMGELX-VHQDNGOZSA-N
PC(36:1)	6.879081791	787.6094345				ATHVAWFAEPLPPQ-VRDBWYNSSA-N
PC(36:2)	6.325047678	785.5935324			LMGP01040060	RXVOSONMLRHQRN-UNGCUCNDSA-N
PC(36:3)	6.058970427	783.5773596				SRIGHEHXEGELQJ-YYQUKWHJSA-N
PC(38:3)	4.573937204	811.6076497
PC(38:4)	5.311894502	809.5934064
PE(41:4)	6.063390941	809.5933048			LMGP02010791	VITOSVGJMSZUDA-WRIQGYDKSA-N
PC(38:6)	5.409794147	805.562408
PC(40:7)	4.026769479	831.5781102				ZEAKXAXFIRHBSN-WDYLLCCDSA-N
PC(O-32:0)	4.155819738	719.5820596			LMGP01020195	PEBKRUKXUJTZIZ-LDLOPFEMSA-N
PC(P-34:0)	4.120654694	745.5978963		HMDB11208	LMGP01030030	ZGOGLUJRGBOVEK-IIKIFWEUSA-N
PC(P-36:1)	4.121090277	771.6130238		HMDB11216	LMGP01030037	WXILBCFZIXHZIG-KOUVQCMKSA-N
PC(P-36:4)	4.570678052	765.5664536		HMDB11278		RWVKPDIHPPTVRQ-HWGQMOSASA-N
PC(P-38:3)	4.116582629	795.6129049		HMDB11252	LMGP01030067	LIRPHCPLRLOMHJ-ABWFFGIPSA-N
PC(P-40:5)	4.028214269	819.6137548		HMDB11292		KUHMJRMPHBRAMY-DDURNVNNSA-N
PE(30:0)	20.50866019	680.5101283
PE(32:0)	3.775338382	691.5149059
PE(32:1)	3.775706817	689.4992212
PE(34:2)	4.756296729	715.5153863			LMGP02020005	FENSRZKRANTRCP-UHFFFAOYSA-N
PE(36:1)	5.232322761	745.5624983				LICSIKXBSOVGBP-VEAYGOGPSA-N
PC(33:1)	6.110939914	745.5626273	C00157	HMDB07939	LMGP01010542	ZEWLMKXMNQOCOQ-KUNNKMQBSA-N
PE(36:2)	5.458790151	743.5468684	C00350	HMDB09026	LMGP02010034	VHHMKXOBDPAFKC-HWQBUQMOSA-N
PC(33:3)	5.867108677	741.531093			LMGP01011355	ZWPOINKEZAPNIC-YGQCGPNASA-N
PE(36:4)	6.148475815	739.515241				KUPNWZACJRZMJD-SIOSMUJOSA-N
PE(36:5)	4.002137214	737.4996555				LOVKENPUWMFUJV-XVIXSHTPSA-N
PE(38:1)	4.752146969	773.5930184				VDNXNFMAFDYQSI-JHWHEROUSA-N
PC(35:1)	5.619722877	773.5932584			LMGP01011450	PPZQIKKCINYMLI-RCENZVMYSA-N
PE(38:2)	4.775567964	771.5773273				WYDGEVICLIVPEG-JMMITYAOSA-N
PE(38:4)	5.759816892	767.5463802	C00350	HMDB09003	LMGP02010027	ANRKEHNWXKCXDB-BHFWLYLHSA-N
PE(38:5)	5.911391187	765.5308081
PE(40:5)	3.983770419	793.5609011				JNMLRFRSKRFHKL-QPBWJCTOSA-N
PE(40:6)	3.946930985	791.5457834				FEABWDMFZNBFCT-KUVQHVNNSA-N
PE(O-38:5)	6.748509274	751.5511711	C00350	HMDB05779	LMGP02030003	URPXXNCTXCOATD-FXMFQVEGSA-N
PE(P-34:1)	4.049193539	701.5350169	C00350	HMDB08951		LAFTYABRLNPQHQ-NHGOJEJISA-N
PE(P-36:4)	5.010261967	723.5202489	C00350	HMDB09150		XLBRCASDZDRYLA-FWMGDSTOSA-N
PE(P-38:5)	5.250775372	749.5354975	C00350	HMDB09447		IQSPCSIULMCRPM-ZAJUHDLGSA-N
PE(P-40:4)	4.894895104	779.5819805		HMDB11391	LMGP02030061	TVTRPEJBOGUHBJ-IKHSQHJKSA-N
PE(P-40:6)	4.847506803	775.5510494		HMDB11425		FTSKHGJWLNUZOB-RCWWZEBWSA-N
penem CGP31608	13.81190409	261.0783004
Phencyclidine	5.233286662	243.1987852	C07575			JTJMJGYZQZDUJJ-UHFFFAOYSA-N
Phenethylamine	28.72462257	121.0891404	C05332	HMDB12275		BHHGXPLMPWCGHP-UHFFFAOYSA-N
Phosphocreatine	15.0043993	211.0358649	C02305	HMDB01511		DRBBFCLWYRJSJZ-UHFFFAOYSA-N
PIPES	14.00893752	302.0605508				IHPYMWDTONKSCO-UHFFFAOYSA-N
Proteacin	14.57804827	512.1168841	C08339			RJPLGQRRNXUSQI-UUGBRMIUSA-N
PS(34:0)	3.733428964	763.5376852				WZFUPCSEUKNOBF-AARKOHAPSA-N
PS(34:1)	3.781944363	761.5208024				QRWCPZZFGKGUHF-FQGNUJBYSA-N
PS(34:2)	3.795662248	759.505354				DGTSDCHTRVSEKL-AOGDOVIASA-N
PS(36:3)	3.776896359	785.5208701				MWONMGIZXLAUBR-KSXMTAOISA-M
PS(36:4)	3.77551995	783.5061888				ZTNFQEXYTMNFHG-SOFXVBFTSA-N
PS(38:6)	3.768200821	807.5055913				PWBBJQOVCTWPIM-FAYDGCQZSA-N
PS(39:4)	3.74848873	825.5524084			LMGP03010247	HKVBMGDYFMSDES-JEJCSLMQSA-N
PS(40:8)	3.750316783	831.5056479
psicoselysine	20.75561526	308.1582205				BFSYFTQDGRDJNV-ONJAQYSBSA-O
Pyridoxal	8.222326243	167.0582741	C00250	HMDB01545		RADKZDMFGJYCBB-UHFFFAOYSA-N
Pyridoxine phosphate	13.68402663	249.0398619	C00627	HMDB01319		WHOMFKWHIQZTHY-UHFFFAOYSA-N
Ribitol	12.88561343	152.0684725	C00474	HMDB00508		HEBKCHPVOIAQTA-UHFFFAOYSA-N
S-Adenosyl-L-homocysteine	13.55708455	384.1216918	C00021	HMDB00939		ZJUKTBDSGOFHSH-WFMPWKQPSA-N
S-Adenosyl-L-methionine	16.2334479	398.1372814	C00019	HMDB01185		MEFKEPWMEQBLKI-AIRLBKTGSA-N
Saphenic acid methyl ester	15.0128816	321.0630732	C12118			CMJFOBNRYRSQGE-UHFFFAOYSA-N
S-glutathionyl-L-cysteine	16.83506339	426.0880239	C05526	HMDB00656		BNRXZEPOHPEEAS-FXQIFTODSA-N
Slaframine	12.02098464	240.1474469	C06185			UQNSGOYQGBXKSN-MCIGGMRASA-N
SM(d17:1/24:1(15Z))	4.581256114	798.661584		HMDB11696		POQOEIGODOXWFL-HIMVLHDZSA-O
SM(d32:1)	5.544046327	674.5359961			LMSP03010035	RPTUKVYGSPDHGQ-PSALXKTOSA-N
SM(d33:1)	7.822454587	688.551553			LMSP03010037	CGMZWBZSOINWHL-YPDYIYJKSA-N
SM(d34:1)	6.483460468	702.5673115			LMSP03010042	OQCPQFVKIYWGRP-GWQJGLRPSA-N
SM(d34:2)	5.623039418	700.5515108			LMSP03010040	QQFVICUNTBNUKN-QQRIYSRRSA-N
SM(d35:1)	4.344380154	716.5830702			LMSP03010044	YMQZQHIESOAPQH-JXGHDCMNSA-N
SM(d36:1)	7.796029917	730.5989537	C00550	HMDB12089	LMSP03010031	XYLWKHKCYHMVMA-RVPJYPCXSA-O
SM(d36:2)	7.784099149	728.5832718			LMSP03010048	YTBRKOHFRDWGKO-XZNYDZQTSA-N
SM(d38:1)	7.757128287	758.6296512	C00550	HMDB12102	LMSP03010005	AADLTHQNYQJHQV-SVLGDMRNSA-O
SM(d40:2)	7.728269149	784.6458195			LMSP03010071	FOULCGVQZYQEQM-DNXGLLHMSA-N
SM(d42:3)	5.664620298	810.6616573			LMSP03010080	TXFLWJQVQCDUDZ-BRUGZULGSA-N
SM(d43:2)	4.684709373	826.6931996			LMSP03010082	MFOZKYNROBQPRM-VKGJADIPSA-N
SM(d44:1)	4.817821564	842.7225948	C00550	HMDB11698	LMSP03010010	VRAWSAPVSSLIRI-MVUJCARGSA-O
sn-glycero-3-Phospho-1-inositol	15.92561653	334.0664175	C01225	HMDB11649		BMVUIWJCUQSHLZ-UJGXJMNGSA-N
Suberic acid	28.19158932	174.0892402	C08278	HMDB00893	LMFA01170001	TYFQFVWCELRYAO-UHFFFAOYSA-N
Sucrose	16.04305129	364.098068	C00089	HMDB00258		CZMRCDWAGMRECN-UGDNZRGBSA-N
Taurine	14.72186935	125.0147013	C00245	HMDB00251		XOAAWQZATWQOTB-UHFFFAOYSA-N
Tetrahydropteridine	7.671941888	136.0748722	C05650	HMDB01216		IDAICLIJTRXNER-UHFFFAOYSA-N
TG(50:1)	5.725525079	849.7781812			LMGL03012777	XVGGRWCKUUQGIE-YYSBDVFPSA-N
TG(52:2)	6.053217754	875.7941944			LMGL03010083	JFISYPWOVQNHLS-LBXGSASVSA-N
TG(54:3)	6.193289444	901.809774			LMGL03010233	PMQJCWRMENJRNL-INWYVWJNSA-N
Thiamin	19.69107751	264.1044135	C00378	HMDB00235		JZRWCGZRTZMZEH-UHFFFAOYSA-N
Thiamin diphosphate	14.5980897	424.0371802	C00068	HMDB01372		AYEKOFBPNLCAJY-UHFFFAOYSA-O
Thr-Ala-Ala	16.38695	261.1323641
Thr-Ala-Pro	15.13417726	287.1481546
Thr-Asp	15.50825687	234.0852484
Thr-Gly	21.69287851	176.0798029				BIYXEUAFGLTAEM-UCORVYFPSA-N
Thr-Pro	11.35326735	216.110997
trans-Hexadec-2-enoylcarnitine	4.692472832	397.3192459		HMDB06317		SOYNLLDADLOGAM-ISLYRVAYSA-N
Tributyl phosphate	4.185013653	266.1646101	C14439			STCOOQWBFONSKY-UHFFFAOYSA-N
Trihexosylceramide (d18:1/24:1(15Z))	7.877228579	1133.779629	C04737	HMDB04883		FZLJBZZCTNZGFA-YOPMPTLHSA-N
tropine	28.37541398	141.115338	C00729			CYHOMWAPJJPNMW-DHBOJHSNSA-O
Trp-Cys-Gly	9.248114931	364.1204663
Tussilagine	10.34314378	199.1209572	C10411			LADVYSUMGRTFSZ-QXFUBDJGSA-N
Tyr-Tyr	4.604017793	344.1371568				JAQGKXUEKGKTKX-HOTGVXAUSA-N
UDP	16.05913605	404.0021541	C00015	HMDB00295		XCCTYIAWTASOJW-XVFCMESISA-N
Val-Ala	12.09924337	188.1160677
Valeroidine	6.160689674	258.1942946	C10869			APLLVFVOTXZBFO-RUJICJSRSA-N
Vicine	15.86755528	304.1018095	C08437			KGNGTSCIQCLKEH-SYCVNHKBSA-N
METABOLITES_END
#END