#METABOLOMICS WORKBENCH Asaelr_20250311_132200 DATATRACK_ID:5718 STUDY_ID:ST003789 ANALYSIS_ID:AN006228 PROJECT_ID:PR002366
VERSION             	1
CREATED_ON             	March 11, 2025, 3:09 pm
#PROJECT
PR:PROJECT_TITLE                 	Lack of consistent effect of dietary fiber on immune checkpoint blockade
PR:PROJECT_TITLE                 	efficacy across diverse murine tumor models
PR:PROJECT_SUMMARY               	Immune checkpoint blockade (ICB) has transformed cancer treatment, but success
PR:PROJECT_SUMMARY               	rates remain limited. Recent research suggests dietary fiber enhances ICB
PR:PROJECT_SUMMARY               	response in mice and patients through microbiome-dependent mechanisms. Yet, the
PR:PROJECT_SUMMARY               	robustness of this effect across cancer types and dietary contexts remains
PR:PROJECT_SUMMARY               	unclear. Specifically, prior literature compared grain-based chow (high fiber)
PR:PROJECT_SUMMARY               	to low-fiber purified diet, but these diets differ also on other dimensions
PR:PROJECT_SUMMARY               	including phytochemicals. Here we investigated, in mice fed grain-based chow or
PR:PROJECT_SUMMARY               	purified diets with differing quantities of isolated fibers (cellulose and
PR:PROJECT_SUMMARY               	inulin), the gut microbiome, metabolite levels and ICB activity in multiple
PR:PROJECT_SUMMARY               	tumor models. Isolated fibers shifted multiple microbial taxa toward chow-like
PR:PROJECT_SUMMARY               	levels, although diet-type (chow vs. purified) had a stronger impact on
PR:PROJECT_SUMMARY               	gut-microbiome composition. Metabolomic profiles were relatively similar between
PR:PROJECT_SUMMARY               	mice fed high- and low-fiber purified diets, but differed massively between mice
PR:PROJECT_SUMMARY               	fed purified diets or chow, identifying the factor as diet type, independent of
PR:PROJECT_SUMMARY               	fiber. Tumor growth studies in multiple murine models revealed that fiber has a
PR:PROJECT_SUMMARY               	weaker impact on ICB (anti-PD-1) efficacy than previously reported. While diet
PR:PROJECT_SUMMARY               	impacted ICB activity in some models, the effect was not directionally
PR:PROJECT_SUMMARY               	consistent. In no model did we observe the pattern expected if fiber controlled
PR:PROJECT_SUMMARY               	ICB efficacy: strong efficacy in both chow and high-fiber purified diet but low
PR:PROJECT_SUMMARY               	efficacy in low-fiber purified diet. Thus, dietary fiber appears to have limited
PR:PROJECT_SUMMARY               	or inconsistent effect on ICB efficacy in mouse models, and other dietary
PR:PROJECT_SUMMARY               	factors that correlate with fiber intake may underlie the clinical correlations
PR:PROJECT_SUMMARY               	between fiber consumption and immunotherapy outcomes.
PR:INSTITUTE                     	Princeton University
PR:LAST_NAME                     	Roichman
PR:FIRST_NAME                    	Asael
PR:ADDRESS                       	Lewis-Sigler Institute for Integrative Genomics Princeton University Carl Icahn
PR:ADDRESS                       	Laboratory, Washington Road Princeton, NJ 08544
PR:EMAIL                         	asael100@gmail.com
PR:PHONE                         	9084101710
PR:PUBLICATIONS                  	Lack of consistent effect of dietary fiber on immune checkpoint blockade
PR:PUBLICATIONS                  	efficacy across diverse murine tumor models
#STUDY
ST:STUDY_TITLE                   	Serum metabolomics
ST:STUDY_SUMMARY                 	Immune checkpoint blockade (ICB) has transformed cancer treatment, but success
ST:STUDY_SUMMARY                 	rates remain limited. Recent research suggests dietary fiber enhances ICB
ST:STUDY_SUMMARY                 	response in mice and patients through microbiome-dependent mechanisms. Yet, the
ST:STUDY_SUMMARY                 	robustness of this effect across cancer types and dietary contexts remains
ST:STUDY_SUMMARY                 	unclear. Specifically, prior literature compared grain-based chow (high fiber)
ST:STUDY_SUMMARY                 	to low-fiber purified diet, but these diets differ also on other dimensions
ST:STUDY_SUMMARY                 	including phytochemicals. Here we investigated, in mice fed grain-based chow or
ST:STUDY_SUMMARY                 	purified diets with differing quantities of isolated fibers (cellulose and
ST:STUDY_SUMMARY                 	inulin), the gut microbiome, metabolite levels and ICB activity in multiple
ST:STUDY_SUMMARY                 	tumor models. Isolated fibers shifted multiple microbial taxa toward chow-like
ST:STUDY_SUMMARY                 	levels, although diet-type (chow vs. purified) had a stronger impact on
ST:STUDY_SUMMARY                 	gut-microbiome composition. Metabolomic profiles were relatively similar between
ST:STUDY_SUMMARY                 	mice fed high- and low-fiber purified diets, but differed massively between mice
ST:STUDY_SUMMARY                 	fed purified diets or chow, identifying the factor as diet type, independent of
ST:STUDY_SUMMARY                 	fiber. Tumor growth studies in multiple murine models revealed that fiber has a
ST:STUDY_SUMMARY                 	weaker impact on ICB (anti-PD-1) efficacy than previously reported. While diet
ST:STUDY_SUMMARY                 	impacted ICB activity in some models, the effect was not directionally
ST:STUDY_SUMMARY                 	consistent. In no model did we observe the pattern expected if fiber controlled
ST:STUDY_SUMMARY                 	ICB efficacy: strong efficacy in both chow and high-fiber purified diet but low
ST:STUDY_SUMMARY                 	efficacy in low-fiber purified diet. Thus, dietary fiber appears to have limited
ST:STUDY_SUMMARY                 	or inconsistent effect on ICB efficacy in mouse models, and other dietary
ST:STUDY_SUMMARY                 	factors that correlate with fiber intake may underlie the clinical correlations
ST:STUDY_SUMMARY                 	between fiber consumption and immunotherapy outcomes.
ST:INSTITUTE                     	Princeton University
ST:LAST_NAME                     	Roichman
ST:FIRST_NAME                    	Asael
ST:ADDRESS                       	Lewis-Sigler Institute for Integrative Genomics Princeton University Carl Icahn
ST:ADDRESS                       	Laboratory, Washington Road Princeton, NJ 08544
ST:EMAIL                         	asael100@gmail.com
ST:PHONE                         	9084101710
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	WT C57BL/6J (Jax #000664)
SU:GENDER                        	Female
SU:ANIMAL_FEED                   	Chow or low and high-fiber purified diets
SU:ANIMAL_WATER                  	RO water
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	2	Sample source:Serum | Diet:Chow | Treatment:isotype control	RAW_FILE_NAME=2.MZXML
SUBJECT_SAMPLE_FACTORS           	-	4	Sample source:Serum | Diet:Chow | Treatment:isotype control	RAW_FILE_NAME=4.MZXML
SUBJECT_SAMPLE_FACTORS           	-	6	Sample source:Serum | Diet:Chow | Treatment:isotype control	RAW_FILE_NAME=6.MZXML
SUBJECT_SAMPLE_FACTORS           	-	7	Sample source:Serum | Diet:Chow | Treatment:isotype control	RAW_FILE_NAME=7.MZXML
SUBJECT_SAMPLE_FACTORS           	-	9	Sample source:Serum | Diet:Chow | Treatment:isotype control	RAW_FILE_NAME=9.MZXML
SUBJECT_SAMPLE_FACTORS           	-	12	Sample source:Serum | Diet:Chow | Treatment:isotype control	RAW_FILE_NAME=12.MZXML
SUBJECT_SAMPLE_FACTORS           	-	14	Sample source:Serum | Diet:Chow | Treatment:isotype control	RAW_FILE_NAME=14.MZXML
SUBJECT_SAMPLE_FACTORS           	-	22	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=22.MZXML
SUBJECT_SAMPLE_FACTORS           	-	23	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=23.MZXML
SUBJECT_SAMPLE_FACTORS           	-	24	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=24.MZXML
SUBJECT_SAMPLE_FACTORS           	-	26	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=26.MZXML
SUBJECT_SAMPLE_FACTORS           	-	27	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=27.MZXML
SUBJECT_SAMPLE_FACTORS           	-	28	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=28.MZXML
SUBJECT_SAMPLE_FACTORS           	-	29	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=29.MZXML
SUBJECT_SAMPLE_FACTORS           	-	30	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=30.MZXML
SUBJECT_SAMPLE_FACTORS           	-	32	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=32.MZXML
SUBJECT_SAMPLE_FACTORS           	-	33	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=33.MZXML
SUBJECT_SAMPLE_FACTORS           	-	37	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=37.MZXML
SUBJECT_SAMPLE_FACTORS           	-	40	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=40.MZXML
SUBJECT_SAMPLE_FACTORS           	-	41	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=41.MZXML
SUBJECT_SAMPLE_FACTORS           	-	43	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=43.MZXML
SUBJECT_SAMPLE_FACTORS           	-	44	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=44.MZXML
SUBJECT_SAMPLE_FACTORS           	-	45	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=45.MZXML
SUBJECT_SAMPLE_FACTORS           	-	46	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=46.MZXML
SUBJECT_SAMPLE_FACTORS           	-	49	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=49.MZXML
SUBJECT_SAMPLE_FACTORS           	-	50	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=50.MZXML
SUBJECT_SAMPLE_FACTORS           	-	52	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=52.MZXML
SUBJECT_SAMPLE_FACTORS           	-	55	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=55.MZXML
SUBJECT_SAMPLE_FACTORS           	-	56	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=56.MZXML
SUBJECT_SAMPLE_FACTORS           	-	57	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=57.MZXML
SUBJECT_SAMPLE_FACTORS           	-	60	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=60.MZXML
SUBJECT_SAMPLE_FACTORS           	-	61	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	RAW_FILE_NAME=61.MZXML
SUBJECT_SAMPLE_FACTORS           	-	63	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	RAW_FILE_NAME=63.MZXML
SUBJECT_SAMPLE_FACTORS           	-	65	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	RAW_FILE_NAME=65.MZXML
SUBJECT_SAMPLE_FACTORS           	-	71	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	RAW_FILE_NAME=71.MZXML
SUBJECT_SAMPLE_FACTORS           	-	72	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	RAW_FILE_NAME=72.MZXML
SUBJECT_SAMPLE_FACTORS           	-	73	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	RAW_FILE_NAME=73.MZXML
SUBJECT_SAMPLE_FACTORS           	-	75	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	RAW_FILE_NAME=75.MZXML
SUBJECT_SAMPLE_FACTORS           	-	78	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=78.MZXML
SUBJECT_SAMPLE_FACTORS           	-	79	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=79.MZXML
SUBJECT_SAMPLE_FACTORS           	-	80	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=80.MZXML
SUBJECT_SAMPLE_FACTORS           	-	83	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=83.MZXML
SUBJECT_SAMPLE_FACTORS           	-	86	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=86.MZXML
SUBJECT_SAMPLE_FACTORS           	-	88	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=88.MZXML
SUBJECT_SAMPLE_FACTORS           	-	89	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=89.MZXML
SUBJECT_SAMPLE_FACTORS           	-	90	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=90.MZXML
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood was collected by tail snip in ad lib fed mice around 9am, the day after
CO:COLLECTION_SUMMARY            	the sixth dose of anti-PD-1 or isotype control. Blood was centrifuged at 10,000
CO:COLLECTION_SUMMARY            	g, 4°C for 10 min. Serum was isolated from the supernatant and stored at -80°C
CO:COLLECTION_SUMMARY            	until further analysis.
CO:SAMPLE_TYPE                   	Serum
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Mice were randomized and assigned to treatment groups when the average tumor
TR:TREATMENT_SUMMARY             	volume reached 40-100 mm3. Mice were dosed with 100ug of anti-PD-1 (BE0273,
TR:TREATMENT_SUMMARY             	clone 29F.1A12, BioXcell) or isotype control (BE0089, Rat IgG2a, BioXcell). This
TR:TREATMENT_SUMMARY             	was administered as a 100 µl intraperitoneal injection, diluted in InVivoPure
TR:TREATMENT_SUMMARY             	pH 7.0 Dilution Buffer (IP0070, BioXcell) for Anti-PD-1 or InVivoPure pH 6.5
TR:TREATMENT_SUMMARY             	Dilution Buffer (IP0065, BioXcell) for the IgG2a isotype control. Mice were
TR:TREATMENT_SUMMARY             	dosed every 3 days for a total of 8 doses.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	2.5 µL of serum was added into 80 µl of ice-cold methanol and stored in -80°C
SP:SAMPLEPREP_SUMMARY            	for at least 30min. Samples were centrifuged at max speed (21,380 g), 4°C for
SP:SAMPLEPREP_SUMMARY            	20 min. Supernatants were collected for LC-MS analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Metabolites were separated by hydrophilic interaction liquid chromatography
CH:CHROMATOGRAPHY_SUMMARY        	(HILIC) with an XBridge BEH Amide column (2.1 mm × 150 mm, 2.5 μm
CH:CHROMATOGRAPHY_SUMMARY        	particle size; Waters, 196006724). The column temperature was set at 25°C.
CH:CHROMATOGRAPHY_SUMMARY        	Solvent A was 95 vol% H2O 5 vol% acetonitrile (with 20 mM ammonium acetate,
CH:CHROMATOGRAPHY_SUMMARY        	20 mM ammonium hydroxide, pH 9.4). Solvent B was acetonitrile. Flow rate was
CH:CHROMATOGRAPHY_SUMMARY        	0.15 mL/min. The LC gradient was: 0-2min, 90% B; 3-7min, 75% B; 8-9 min, 70% B;
CH:CHROMATOGRAPHY_SUMMARY        	10-12 min, 50% B; 13-14 min, 25% B; 16-20.5 min, 0.5% B; 21-25 min, 90%.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	XBridge BEH Amide (2.1 mm × 150 mm, 2.5 μm particle size; Waters,
CH:COLUMN_NAME                   	196006724)
CH:SOLVENT_A                     	95 vol% H2O 5 vol% acetonitrile (with 20 mM ammonium acetate, 20 mM ammonium
CH:SOLVENT_A                     	hydroxide, pH 9.4)
CH:SOLVENT_B                     	acetonitrile
CH:FLOW_GRADIENT                 	0-2min, 90% B; 3-7min, 75% B; 8-9 min, 70% B; 10-12 min, 50% B; 13-14 min, 25%
CH:FLOW_GRADIENT                 	B; 16-20.5 min, 0.5% B; 21-25 min, 90%.
CH:FLOW_RATE                     	0.15 mL/min
CH:COLUMN_TEMPERATURE            	25°C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Orbitrap Exploris 480
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	MS analysis was performed on Thermo Fisher’s Orbitrap Exploris 480 mass
MS:MS_COMMENTS                   	spectrometer, with injection volume of 5-10µl. Two scans were performed, in
MS:MS_COMMENTS                   	negative mode (m/z of 70-1000) and positive mode (m/z of 119-1000),
MS:MS_COMMENTS                   	respectively, with resolution of 120,000, AGC target of 1000% and max injection
MS:MS_COMMENTS                   	time of 500 ms.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Ion intensity
MS_METABOLITE_DATA_START
Samples	2	4	6	7	9	12	14	22	23	24	26	27	28	29	30	32	33	37	40	41	43	44	45	46	49	50	52	55	56	57	60	61	63	65	71	72	73	75	78	79	80	83	86	88	89	90
Factors	Sample source:Serum | Diet:Chow | Treatment:isotype control	Sample source:Serum | Diet:Chow | Treatment:isotype control	Sample source:Serum | Diet:Chow | Treatment:isotype control	Sample source:Serum | Diet:Chow | Treatment:isotype control	Sample source:Serum | Diet:Chow | Treatment:isotype control	Sample source:Serum | Diet:Chow | Treatment:isotype control	Sample source:Serum | Diet:Chow | Treatment:isotype control	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	Sample source:Serum | Diet:Chow | Treatment:anti-PD-1	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In1.9 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1	Sample source:Serum | Diet:HC_In8 | Treatment:anti-PD-1
1-(4-Hydroxyphenyl)piperidin-2-one	95039.02	36342.88	77309.96	50488.88	28548.01	34751.82	152034.55	136166.14	80762.21	102827.59	169117.05	170378.64	83234.96	100688.59	94641.46	69389.6	55115.52	34386.89	114650.88	93400.34	106826.84	98308.91	122524.34	101111.59	93436.71	54428.31	77857.98	129542.75	120528.13	93848.91	108995.62	102560.27	151652.19	93340.16	83889.27	55218.82	84380.37	43754.67	36141.94	70710.56	75312.12	52638.36	46289.21	91028.03	79650.73	26745.47
1_6-anhydro-b-D-Glucose	57968.98	48780.78	57591.03	48500.03	64269.67	37825.96	58071.67	83055.75	71006.48	69306.32	55100.71	60219.68	72132.43	65824.52	65515.05	7768.49	9964.5	7812.62	10670.85	10170.45	11515.14	6915.67	11858.75	11574.96	7068.41	10938.04	9658.41	7296.64	9315.15	13948.37	8787.35	6391.95	15724.56	7669.4	12442.92	15075.09	9019.53	6862.28	5365.74	9894.36	13923.12	12366.54	7833.23	10997.14	9885.93	10391.44
10-hydroxy-2E-decenoic acid	481007.22	303428.5	374186.91	375792.75	176214.08	346862.44	445535.72	467142.53	295998.91	580277.06	510010.03	487272.22	286591.53	384008	371812.91	219241.92	282497.41	365874.28	454747.75	293411.47	306529.91	341167.12	412108.5	367967.41	396861.09	565291.44	932714.06	675322.25	445137	502515.25	465180	379869.72	435588.66	287729.66	225118.75	525196.12	518227.09	250577.23	249598.31	304186.59	180392.94	183854.39	130067.38	162690.83	149884.94	134273.05
11-deoxy-PGE1	22129.41	20847.02	24130.68	21004.78	17098.43	17314.64	46924.59	28734.85	25404.63	40629.75	19498.92	29501.6	27596.24	29683.62	23832.28	37194.09	36185.87	26275.03	22352.01	28802.96	41942.23	47595.27	40312.54	36517.82	30781.72	33474.29	26956.47	31378.11	36399.24	33891.47	49267.5	39301.36	36450.11	43561.5	31582.62	35381.69	18415.37	21228.81	13227.67	25200	43695.89	36765.77	27540.87	47229.21	41985.05	28815.87
13(S)-HpOTrE isomer	183471.33	147202.36	135004.23	269640.41	171883.02	216268.75	492548.38	150720.86	319344.09	284355.53	541180.44	188307.89	172193.19	164068.61	182318.95	238291.75	220180.38	330400.78	282491.72	280163.12	180792.23	382203.28	299462.47	362680.88	234721.98	207961.31	223843.08	302848.12	382220.53	239014.62	338939.75	350373.34	316974.25	320786	256887.77	406129.41	448800.38	317773.66	219824.7	369085.84	190848.31	248008.77	345116.66	201100.38	186162.98	81846.31
1-Oxo-14_17_20_23-tetraoxa-2-thiapentacosan-25-oic acid isomer	449687.12	577505.94	612247.88	502277	445798.62	136722.08	285630.41	182204.88	182166.06	255774.92	457996.88	216166.42	655230.5	315528.47	195334.86	192841.48	165340.48	816588.25	370920.72	526347.31	1559501.5	320338.81	317328.75	860186.31	1669527.38	129998.25	347843.62	550250.19	265613.84	155241.39	363856.84	172966.55	138196.66	133332.86	5481200	792012.44	2802385	112144.23	477241.22	394875.25	106874.28	152954.36	191447.81	418991.91	132051.44	109811.25
1-Tetradecanesulfonic acid	34655.39	70423.56	20686.48	18282.57	16018.09	7165.22	41165.82	15433.51	30252.81	16188.01	15914.28	12517.95	10925.12	11479.75	13622.65	11068.2	26067.46	20309.03	20083.51	35614.29	12731.8	17546.34	22913.68	9753.24	14543.21	12983.05	14476.25	22536.9	11718.8	13903.23	13984.53	6085.94	13720.62	9361.32	18407.81	22993.1	66724.05	28475.3	31916.18	44915.65	12202.99	36409.37	223150.19	27878.47	17716.72	16419.09
2',2'-Difluoro-2'-deoxyuridine	38609.86	42126.78	28220.29	21834.59	37812.58	63891.84	33607.96	41370.46	61580.98	48952.62	28521.79	32340.04	32649.01	38816.57	41958.97	43006.77	40074.21	50081.12	48580.96	49144.31	38822.05	35842.61	48846.36	34771.74	26250.94	49565.94	44880.76	57572.32	23979.6	37388.08	43458.68	28701.9	41260.45	44289.04	45320.27	37125.04	21955.02	34891.75	17263.78	42405	19207.34	28144.96	20344.43	64682.39	25475.35	25373.6
2_4-Dinitrophenylhydrazine isomer	7976852	4640498	7628934.5	7765214.5	6156930	10723741	12689893	9923710	7922804	15885440	6930884	7457002.5	9332736	13362911	12651096	7034218.5	11086699	5646960	9788383	11331197	6840771.5	8940436	7143417.5	2942709.75	6669468	8414701	4863205	11538175	15741577	7013144.5	9620991	4537052.5	7670185.5	8023413.5	7746098.5	8029144	11129851	8465283	6522712.5	7815236	10407557	7707801.5	6938250	7701218	7232050.5	4717708
2-aminobutyrate	30167.43	23311.8	31660.89	25409.74	25515.75	35726.89	35243.18	48917.29	47405.18	45202.74	45077.63	34756.89	37378.79	34151.98	48203.35	104084.15	89701.84	53631.5	82266.04	50984.46	45789.13	46616.29	68489.46	89723.46	47169.06	73749.87	117626.44	136211.33	52045.21	55648.39	85735.35	76652.78	62436.08	59853.01	54171.52	43994.46	86863.4	47429.77	32008.4	56931.51	53112.39	55826.09	49683.04	61534.68	62344.11	38264.46
2-dehydrogluconate	99475.91	93640.98	87064.82	65585.77	68921.43	115241.1	114319.16	106374.12	114859.48	145217.67	99836.96	94724.85	94143.78	133032.98	172716.59	94202.37	100800.07	74570.52	71559.62	62536.54	95022.85	102883.25	88124.9	99408.24	77807.38	96103.26	113651.18	144127.25	105547.32	82096.85	96098.73	87661.34	134107.75	100296.41	78707.31	115437.51	215266.7	84621.09	32841.14	70271.16	86275.77	108117.7	53197.06	109814.85	79929.86	52103.67
2-Deoxy-D-ribose	36374.86	36692.93	31305.97	36806.47	22266.07	20968.7	39140.24	32659.05	14491.42	43835.48	45367.85	43970.96	40338.72	39090.86	24324.35	27074.7	40705.43	41964.41	57241.4	37002.03	36553.18	39286.33	35125.66	46538.03	46104.47	35080.61	62474.29	66452.34	29915.12	12258.97	43389.45	47770.19	43299.57	34369.67	44403.39	41470.05	73334.71	28115.77	26918.79	42571.06	53612.19	33587.4	33102.09	49070.07	27334.86	31916.34
2-Hydroxydecanedioic acid	455325.34	293229.31	316572.88	232870.19	68933.98	343174.22	231195.2	657483.56	217015.06	256507.02	210625.25	333577.47	210584.06	365949.5	333194.03	63001.57	123042.59	185086.23	176924.27	91327.98	288669.22	165156.25	180536.7	215694.62	269361.34	611193.19	726896.25	351919.75	156053.55	395725.09	248248.2	152285.64	300975.81	126047.04	115871.96	220330.06	159477.83	70571.25	109475.63	147403.33	33484.68	31826.88	24447.89	27774.45	25368.21	36784.17
2-hydroxyglutarate	115891.56	116073.3	120242.09	74438.56	83781.11	108146.41	103956.01	120763.56	127006.96	188196.83	117010.3	102754.62	100343.99	140457.75	135841.59	120400.56	139256.42	103412.72	122763.09	78425.88	92920.09	137529.53	158791.11	125078.75	94321.35	109304.48	134311.2	159862.11	107382.98	108794.25	91013.81	142539.31	129361.77	121849.19	82960.63	92520.78	163160.62	93873.46	76264.35	112626.41	108696.81	90940.27	70655.28	149021.73	92904.1	83187.06
2-hydroxyhippuric acid	34174.74	35393.2	28208.88	21859.08	6444.23	21193.3	12302.12	25636.3	13065.78	40245.64	50905.67	39733.89	35008.84	68948.62	71866.91	17383.67	18667.31	17174.93	18364.34	9013.66	22888.97	38033.8	15959.75	23930.66	22260.77	6114.34	36840.36	22181.09	13226.77	26429.36	11973.15	43492.43	20729.69	20856.59	17012.91	64252.73	47501.11	24321.24	47699.64	9912.79	40244.07	90239.18	43849.84	14914.48	21128.65	5384.61
2-Hydroxyvaleric acid	2798276	2741472.75	2953896.25	2353752.75	2960050.25	3229720.25	2738216.75	2120071.5	3681046	3296822	2009364.88	2120123.25	2812371	2872964.75	3641678	4138478	8411089	6231862	7224530.5	3877423.75	4874043	5385198	5685177.5	3224485.25	3011911.25	4169694.75	3694522.75	8591501	3648142	4037780.75	3818258	4935585.5	3195243.25	7436650.5	5012144.5	3091715.75	3590216	3754276	2089025.38	9158066	5424158.5	3649807	2650527.5	11000540	5708422.5	5955045.5
2-Isopropylmalic acid	13305.11	15687.32	21444.79	18502.98	15546.39	13876.85	16429.75	17736.21	16740.95	21747.39	15342.71	19934.51	13071.05	46810.26	17503.48	12176.81	13365.34	11926.72	18948.43	22230.68	13258.52	15512.8	16989.45	13867.64	14813.87	14429.27	25303.51	14940.05	16339.59	14157.4	15202.26	62342.48	15278.61	14635.46	17675.3	18380.92	37111.25	18756.73	11121.99	17037.79	47035.07	14484.42	13699.73	16402.29	14071.92	19516.53
2-keto-isovalerate	4870262.5	3635184.75	4640030.5	2712448	2906545.25	4042741.25	4785150.5	6470292.5	4801176	5603029.5	3126993.25	4081737.25	4193415.25	4215533.5	4036799.25	4822672.5	4667908.5	4016437	4334110.5	4445255.5	4782935	6089522.5	4786466	4589850.5	4120158.25	4519486	4143848	4876654	5341254.5	6571326.5	4950287.5	5976124.5	6324094.5	5164194.5	3608104.25	5262942	4447930.5	3576415.25	3417331.25	4452345.5	5785136	4144219.25	2653961	5359986	4473200.5	2446413.75
2-Methylhippuric acid	1023579.56	1046381.5	1051990.12	668152.31	709752.19	706470.75	1323847.5	975042.69	929503.5	1397225.62	714244.44	942831.06	1032734.25	733628.94	1549824	337119.12	715387.19	553819.75	534974.94	612581.25	693730.69	814974.25	887648.44	390479.91	474114.91	515364.53	534912.25	370481.97	514889.59	620027	487498.88	638119.69	507578.34	334588.44	587483.19	347838	570483.19	501314.78	266718.66	422357.28	158888.38	339751.72	438490.28	252515.38	320158.84	215351.83
2-Nonenoic acid isomer	81720.77	83342.64	71070.7	69242.77	72714.26	67648.29	113503.48	95332.73	83513.41	131471.42	102039.16	101563.65	79835.29	67922.45	70749.91	89979.24	90434.62	78231.88	110720.59	106091.62	85035.6	117258.74	122902.75	120862.8	102586.91	103835.25	147460.78	106746.41	145102.36	135308.23	108786.87	91578.03	111513.88	108950.46	33229.27	111686.59	170740.23	90385.01	70476.04	104013.21	92108.51	110640.29	80895.42	91121.85	84609.96	24915.86
2-Oxoadipic acid	70914.01	64054.7	96134.71	32463.46	31841.51	59317.72	30086.23	56179.47	67573.17	52714.94	34902.86	50914.48	30733.75	46823.3	54925.29	54205.5	68134.04	37958.78	59306.57	43863.88	38724.99	118146.28	163502.44	40714.83	24017.23	34421.46	30586.01	25505.33	70678.61	64333.89	27591.25	74434.8	193568.52	37260.19	29488.75	44924.79	19766.84	49951.11	36613.96	41193.45	66839.62	29820.69	41610.5	59667.58	37118.83	36887.73
3-(Hexane-1-sulfinyl)-N-N-bis(2-hydroxyethyl)prop-2-enamide isomer	29842.76	18100.12	32513.88	21659.62	28334.94	33479.85	35739.59	38875.18	34749.46	48935.11	39816.21	33204.84	33230.44	36107.68	37654.32	39786.32	24314.33	13472.08	7187.36	15108.6	18310.54	25320.54	39569.83	26077.84	20124.52	24755.73	21797.66	27751.55	21069.47	32105.6	31122.19	28650.3	20032.03	20389.01	33648.61	36131.49	21895.84	30621.55	10554.15	16083.07	21431.26	14032.82	25225.17	32116.39	22379.29	13840.59
3-[2-(2H-1-3-Benzodioxol-5-yl)ethyl]-5-oxo-2-5-dihydro-1-2-3-oxadiazol-3-ium	289516.91	1064703	458669.25	251184.92	72066.68	22792.58	720458.75	554953.19	521697.75	39947.69	92194.75	199238.52	184804.88	235836.92	202294.58	205525.89	106917.31	195203.11	293806.34	98342.47	166237.5	189801.19	233055.25	127492.1	135722.64	154439.73	141352.61	166541.44	5150.08	63034.18	202133.7	94030.35	164531.45	146371.88	367949.84	97676.32	341042.41	204500.48	92393.23	95420.76	33549.36	61589.36	288933.91	95946.84	236381.8	116121.37
3-hydroxy-3-methyl-Glutaric acid	1491472.12	1345530.5	1427984.38	1155474.88	1194681	1420440.5	1557749.38	1450855	1552925	1951669.38	1331861	1446451.62	1250918.12	1537489.38	1577853	1341217.75	1526438.12	1296561.12	1512946.62	1434509.38	1360861.12	1675006	1577666.38	1555366.12	1476560.38	1469280.62	1440525.88	1847107.12	1874990.12	1524637.5	1667274.62	1783057.88	1789998	1626726.12	1086480.12	1417948.5	1943328	1311246.38	802921.5	1204738.88	1273341.12	1483702.88	971803.5	1698800.62	1314273.5	951429.81
3-hydroxybutyrate	827955.81	898571.81	674748.5	404086.28	518827.66	452099.16	729721	562657.06	513293.91	222456.7	362470.47	463320.97	482279.38	874616.56	844667.5	798739	659470	329974.53	413192.25	1583987	378591.38	1075557.5	638527.56	437298.22	820632	882602.94	2256736.25	349087.84	1921967.38	1170877.25	287537.22	239802.73	189944.7	624096.38	509632.28	1039978.06	1152807.88	554637.69	444154.84	795202.19	1584744.12	663956.44	1456452.5	1537918.38	658220.25	1258540.12
3-Hydroxypropionic Acid	8749260	5821849.5	9173783	5989886.5	7885720.5	5900322	5552237.5	6788334.5	6768058.5	5389712.5	7407526.5	4536562.5	12118136	10424959	3183624.75	7401291.5	10108373	7931576	5506845.5	8429468	7757168	8240637.5	10866060	8366240.5	6548994	8406679	8491023	6947846.5	7550787.5	6654001.5	11066745	7430494.5	7652757.5	8875932	8409417	8897057	21915064	2957338	5605420	10114111	8072810.5	6087874.5	6727454.5	11322324	7173334.5	6207946.5
3-Methylglutaconic Acid	1249732.5	1153921	1250784	978790.5	1022613	1196344	1330045.62	1242985.12	1313086	1590495.5	1128608.5	1256977.38	1118881.12	1310790.12	1346076.12	1106327.5	1268939	1117420.38	1291867.12	1217991.12	1151727.38	1389746.12	1318458.12	1289715.88	1226724.88	1242668.5	1190230.38	1493840	1506633.38	1288298	1399092.5	1415024.38	1483296.38	1335828.12	940317.69	1190200.12	1607439.38	1123673.62	685531	1037052.75	1097152.62	1232710.5	825066.69	1420343.5	1131599.88	828631.06
3-Methylindole	1161068	469389.16	1029622.56	736681.25	568035.31	621958.56	1876250.88	2016189	1368759.12	1019327.75	2127024.75	1908773.62	1050212.88	874646.44	891929.19	1022389.81	753364.31	518490.88	1056923.88	1132427.38	1304635.88	1267829.12	1085320.62	1198565.5	1191600.38	592023.56	962705.81	1508944	1653038.12	1224660.38	968941.06	1567541.38	1801253.12	949381.5	1052622.12	814420.75	1485416	735982.31	466113.66	880704.5	1066600	888089.31	577423.06	1189953.38	955355.31	363054.66
3-Ureidopropionic acid	41720.29	40208.33	85387.2	26221.28	39914.73	152786.69	39844.64	64839.32	88293.94	100423.94	63990.75	36242.84	51426.11	64484.31	90952.5	35145.25	66762.65	58310.69	48728.7	65372.5	57358.56	53920.14	65270.83	39468.48	24127.54	46841.63	49710.25	66564.8	36104.05	37644.05	46901.22	39932.44	53141.48	68944.7	69133.98	28646.9	43157.96	47288.68	19597.17	49699.98	38256.68	37186.93	22560.74	73685.72	30123.32	44940
4-(Decyloxy)benzene-1-sulfonic acid	111059.81	130613.41	69629.93	59407.31	50950.12	36220.77	73433.88	86300.02	48704.82	70676.23	34718.67	45868.34	83276.02	56526.84	80900.78	68465.94	39260.3	49082.83	72254.86	54104.16	55378.88	55194.94	53466.18	41953.71	52330.71	36638.63	60233.64	60866.84	38561.19	47090.84	38252.5	42507.75	50558.77	72949.48	129060.59	42067.35	195166.75	88338.45	43847.02	45704.77	31128.83	46352.11	40142.96	32606.83	33795.34	37958.71
4-Acetylbutyrate isomer	5543837	5728779.5	6091018	3921579	2757661.75	5086498.5	6149518.5	8324693.5	6895762.5	4913028	4380504.5	5500772	6651053.5	6088549.5	5946760	6564340	7564615.5	4825051.5	5757694.5	7998491.5	7318604	7068066.5	7716120.5	5350805	6077270	5301064	6397260.5	12954232	8256366.5	10304481	7391571.5	5377810.5	6138762	7824513.5	4051335.25	6880722.5	5743676	4719564.5	4727068.5	6889992.5	8162726	6026452	3740622.25	10690596	5985644	3757430.25
4-Ethylphenyl sulfate	27728.09	15280.32	40277.49	19731.19	22935.4	13902.93	31776.23	24812.7	23295.35	11552.85	67603.88	43237	23169.56	48675.3	38231	22334.62	29289.38	21125.21	27363.85	11839.06	25381.96	16596.86	32695.39	13441.72	14097.73	14800.92	26620.26	32765.79	17204.57	20489.56	27224.01	43756.88	52980.86	24312.81	14129.88	21318.32	23106.98	13212.73	14293.01	18997.72	13776.75	21416.92	13694.18	28150.01	23144.56	9300.12
4-formyl Indole	1944368	1136225.5	1987541.12	1611035.5	1252048	1884968.38	2196935.25	3394007.75	2555669.75	3107861.25	2892866.25	3397297.75	2156794	1652909.62	1825929.5	1798957	1548508.5	1052614.12	1787697.62	1649496.12	2128591.5	2140434	1905713.62	2248758.75	1908383	1382668	1423672.38	1569201.88	2806344	2109280.25	1831361.12	2385470.75	3111556.75	1596815.12	1479174.12	1273761.38	2065090.88	1456465	1433679.62	1568254.62	1952977.12	2014888.62	1327879.62	2201337	1732385.62	964192.19
4-Hydroxyisoleucine isomer 2	205484.64	142242.52	133016.52	163217.19	118118.71	270304.78	200237.17	207754.67	205473.25	262503.97	221466.7	181554.44	199335.45	267255.75	225039.69	240895.19	202318.64	132612.77	141554.88	126738.71	163530.58	185620.36	164702.95	210056.05	183054.55	180412	190857.86	286013.34	223017.75	164724.8	244070.62	215977.89	204301.88	187926.3	211408.19	187917.31	280411.34	154207.17	71728.05	139894.45	199111	262380.53	99961.31	173037.81	186444.08	121829.35
4-Hydroxymandelic acid	42535.62	44226.71	63102.55	54836.71	41523.95	83020.41	94100.5	85981.34	85169.76	104364.69	104540.45	117110.09	67471.91	76199.38	71754.02	71383.55	59876.02	43636.03	81712.69	64192.96	63424.61	79572.5	110212.02	69100.68	66943.56	68368.01	40522.22	98242.09	68732.62	75485.13	81345.09	85358.87	105447.06	87414.21	43582.86	64252.72	108687.34	63521.45	37299.57	58799.54	43708.21	56007.11	39312.71	103892.56	65424.88	30309.71
4-Oxoisotretinoin isomer	94747.21	45021.41	52800.05	104737.55	50649.66	28078.06	136268.69	55829.33	51080.62	67645.02	110271.84	105528.68	48808.98	44983.04	58738.17	56947.58	41825.3	58480.39	73519.14	58735.99	79533.04	85504.93	83466.4	58604.53	92371.56	92738.57	106787.9	81220.07	164006.98	45688.2	115072.37	34996.98	48501.19	65746.18	137375.55	36939.5	368751.09	47830.48	38775.82	51272.43	93964.65	19716.49	109799.34	73939.53	41670.55	62913.3
4-Pyridoxic acid	136318.44	151605.89	94876.62	27949.56	67567.69	399107.34	109255.8	128882.54	128817.16	172612.36	102729.72	84855.45	107994.44	100339.41	67015.71	30734.78	67918.23	48146.45	76154.23	100222.1	78272.25	129165.18	89696.72	67558.49	128114.41	90786.13	96712.13	94517.41	62761.07	108791.45	88748.66	87521.4	30137.42	47865.11	32130.74	120351.91	70466.86	56293.75	24569.3	112312.59	126716.99	96354.55	60589.72	69504.77	36670.5	43645.25
5_6-Dihydrouridine	159693.62	157277.45	165222.66	118693.79	148268.92	166609.81	139154.31	160732.52	212835.38	220498.45	150926.45	150189.02	150072.2	175529.42	215667.88	149228.83	182428.55	169224.86	160930.05	110307.63	143218.2	148473.08	152442.61	201685.64	119671.27	171561.2	237867.45	234493.8	166042.77	133839.2	144629.12	157194.11	120324.22	160823.45	157773.89	158163.7	164586.02	105212.84	54003.04	168295.56	186729.3	151047.97	87503.09	230793.3	112203.31	102150.97
5_6-Dihydroxyprostaglandin F1a	228503.05	159969.7	171987.31	208708.83	85868.43	241132.83	167502.92	284525.34	123554.4	273623.22	239948.98	223218	109713.77	164610.27	124369.53	77605.55	117605.59	176934.5	166360.14	111738.84	208863.89	172810.64	219396.73	210001.92	233202.25	400657.25	718173.94	334865.72	250458.27	334436.91	250415.88	247470.94	312232.28	141062.11	141978.97	220829.77	146789.12	121370.69	188971.86	184849.3	71048.25	21095.97	63886.5	57401.42	56953.6	28765.38
5'-Deoxy-5'-thioinosine 5'-monophosphate	100790.73	34293.81	93510.91	49879.52	55899.7	93081.31	59746.86	96771.57	49960.15	327573.19	163958.05	129012.01	111553.38	181803.7	58921.31	1368.6	0	0	0	0	0	0	0	0	0	0	0	0	0	2058.88	0	923.88	0	0	0	0	0	0	0	0	0	4910.72	3520.53	0	0	0
5-hydroxyindole-3-acetic acid	39449.07	30627.56	30067.82	40681.42	13404.56	51995.94	32778.36	54411.23	28888.54	53672.33	43869.34	37132.35	33266.52	62512.98	57443.04	18082.21	16800.59	20981.22	26001.24	37252.03	39037.7	42743.03	37801.13	45668.63	36543.42	29018.32	45976.58	13779.79	40538.1	32461.88	37552.12	41903.92	30582	25463.67	23923.82	27544.8	38730.75	24145.63	19203.98	20514.91	41979.55	20734.07	22570.12	32953.9	18679.3	16294.55
5-hydroxyisourate	39193.25	22219.9	34186.22	26923.03	28907.56	33670.62	41736.58	39539.39	38972.38	56761.38	24149.91	22574.74	29927.02	65594.73	63234.36	50478.08	35677.8	22912.57	39210.13	34482.17	21759.89	27540.56	37206.02	31116.95	29036.08	38464.57	36678.6	53686.81	54272.68	34710.43	51559.64	25139.73	36312.62	45826.36	48522.46	50219.14	70599.63	32019.79	26030.94	51374.65	53211.59	40721.33	33925.96	31564.5	29005.21	23165.42
5-Keto-D-gluconic acid	0	188277.12	0	183749.7	196160.27	215220.08	0	223763.73	0	292394.72	0	212102	0	0	0	0	166462.3	0	210544.52	207780.61	204471.62	0	0	0	0	226206.83	0	253367.5	258616.25	248575.77	249555.98	0	233378.55	0	157765.75	183257.73	256465.38	199487.83	99138.24	0	179533.67	232053.39	136475.7	251238.33	210203.88	150453.83
5-L-Hydroxytryptophan	5480.11	13492.82	5595.18	4342.13	3557.09	26728.88	6625.85	8654.51	7216.11	7546.36	8912.61	12286.94	7172.08	6075.83	5998.08	4337.71	4065.57	6096.68	7563.95	6656.38	16560.29	30618.47	7602.94	40592.12	18745.91	6075.04	51788.39	5607.12	7973.15	25548.33	5813.61	36063.83	10199.06	5307.54	4484.96	19765.25	8204.06	4199.29	3490.95	5177.15	5816.44	5243.87	3421.73	5402.73	6379.75	3709.36
6-beta-hydrocortisol	0	10444.18	29196.01	79475.62	136716.05	34088.9	26482.49	178392.06	44486.7	247382.75	557628.5	255604.55	39170.23	66163.12	92987.41	167432.2	83224.88	527486.38	288205.78	265120.44	103156.4	127537.18	473364.47	506235.12	338241.47	406061.91	206003.88	281468.97	592611.69	612077.44	482614.34	633226.25	207537.3	872732.31	337921.91	829808.06	219703.8	417726.75	217533.55	225973	140584.17	114020.12	66621.59	35481.83	209427.73	88458.66
6-Deoxohomodolichosterone	334487.5	223662.17	180989.45	170529.78	170463.48	307771.78	310095.38	348377.97	273335.19	243951.17	311839.53	272579.47	228586.19	243387.8	218103.88	236277.39	222522.52	340695.75	355983.62	432984.16	326052.44	269313.03	445740.88	363516.88	472030.59	422104.72	372991.16	411003.84	614362.19	483359	273627.22	270522.09	512251.22	384519	197175.23	220789.05	307968.91	97418.41	45597.92	108496.1	115954.3	208745.11	224466.11	541063.06	486453.59	259636.3
7-Methylguanine	26144.99	31068.06	27562.46	17124.18	25085.44	27369.55	22666.94	30280.07	30397.77	38368.36	18940.9	21682.66	19626.99	28314.16	32881.09	22871.06	37653.02	24331.45	29039.4	19957.61	28915.07	28575.69	31916.56	26994.69	22591.04	33193.5	34148.06	42565	37541.24	28526.13	26241.67	24849.88	21333.68	26629.85	22530.18	27192.98	33494.78	28837.13	12970.67	26143.96	28398.49	24422.35	15986.1	29663.42	19451.42	16275.64
9-Decenoic acid	493308.91	461577.34	224931.12	392577.41	293957.09	325527.12	804765	776048.06	561182.94	436773.41	281779.94	660236.31	516554.5	762504.75	503701.25	668531.31	713786.31	746786.25	853660.31	857337.19	705128.25	982510.75	787053.31	785555.69	1107485.5	1041341.5	846938.5	783380.31	1432121.62	1144058.88	1187455.5	543369.44	455775.22	758786.06	586395.94	1031870.81	1545774.62	494904.09	331669.12	540747.12	975900.69	823580.75	542044.44	659269.81	639250.31	494198.25
Acetylglycine	171497.62	179051.19	169480.8	120660.06	171719.64	127589.38	170664.89	143062.98	238139.02	230206.42	121705.06	132714.02	174072.58	183619.88	231546	138111.44	178284.36	178377.14	180184.92	169998.14	123162.57	206833.55	156492.86	210856.38	143170.84	131717.7	406006.12	230276.38	212416.83	175256.73	144611.5	172856.14	104293.91	158165.33	145043.88	140775.28	202310.67	99375.02	81857.74	243330.45	233841.17	129382.66	150837.98	310603.66	164993.62	178581.45
Acetyltropine isomer	51733.82	24615.23	21388.62	33310.19	12041.12	31775.67	72754.53	26290.57	10689.47	50732.54	76349.21	43762.02	26626.92	36157.5	31769.54	17168.38	20769.34	63644.57	17876.66	19328.49	41843.8	25733.52	37152.08	72462.2	51587	60230.48	54219.93	98568.35	15715.03	51854.08	31019.16	26903.45	31789.62	35173.02	16391.13	58154.14	54977.39	17512.91	9853.22	25201.82	3146.72	4508.26	5688.1	2125.04	3125.6	2642.17
aconitate	133789.25	126664.07	106149.71	30410.1	77235.98	173642.67	118915.6	116116.05	164407.08	234298.92	139333.86	124603.85	117622.71	211113.62	232635.55	140290.55	165046.67	119894.38	108164.66	31010.97	145231.2	128231.77	106532.19	141487.66	69076.39	143236.8	181282.19	202987.2	118246.46	106672.09	75619.71	111341.41	106218.26	128237.04	53183.56	163408.58	147884.48	93000.75	56622.25	179072.83	174600.02	144386.58	63181.19	182176.02	118528.78	70456.76
Adipic acid isomer	201823.62	134868.3	106215.23	133378.67	107122.84	65512.39	120466.3	121581.52	64060.43	150000.58	150976.45	125651.09	104263.16	134681.58	137770.2	78802.95	130756.9	135277.02	188610.58	121151.62	103103.16	141396.56	115057.15	150351.77	153949.5	122461.13	176114.45	137886.14	145176.03	85509.67	133688.06	151786.45	125322.29	155291.5	157715.84	170653.97	249963.92	80589.29	118079.91	110606.93	135128.98	129473.16	126256.76	100554.78	126416.84	121234.37
a-ketoglutarate	294527.16	311415.72	333588.88	159217.84	211775.06	129417.03	171793.3	216178.58	254720.33	230825.67	151003.3	224999.45	164593.69	195465.95	151869.89	207012.83	199261.56	102878.27	81458.8	57954.54	83682.28	124319.96	144353.55	105122	64721.5	82136.45	75793.27	88338.09	65402.95	118293.5	64769.04	204378.02	175034.45	88709.49	42917.6	90187.05	48838.27	97628.44	84594.95	155773.39	175454.36	92746.59	64600.31	166811.27	96032.1	90187.98
allantoin	4984629.5	4710797.5	6052116	4332645.5	4786795.5	2174076.75	5015521	5351662	6553224	523212.34	5202527	4494092.5	4907743.5	5653700	1393381.38	4644805.5	5026840.5	4833692	4741497.5	3989278.75	4263250	4759325.5	4549550.5	4867202.5	3519873	4552187.5	5644512.5	6341221.5	2179848.75	2630506.75	3939632	4115136.25	3551431.75	5017672	4906454	3759656	4292893	2436684.75	1893335	5780032	5245175.5	4007155.25	3103293.25	5475934.5	3366544	3778581.25
alpha-Ketoglutaramate	7616.23	10906.01	12594.89	10442.69	12084.96	9078.48	13151.93	7626.29	10102.55	10535.07	5039.18	10948.63	6345.61	17307.47	12422.79	10583.52	10211.81	11027.08	7528.11	11648.98	8633.26	13708	11733.62	15433.16	12489.51	11934.92	14008.42	7461.97	7863.02	9972.12	10464.1	10499.06	10572	12483.55	14399.28	7962.55	19699.33	7504.04	11151.78	8973.32	4867.61	10736.47	10837.83	12885.95	12827.27	6388.23
Aminoadipic acid	46856.19	31967	35613.8	28372.47	26728.25	75513.94	49864.06	77690.24	55130.77	75275.41	50979.76	53773.22	40481.43	65288.44	57388.29	117331.81	100062.4	64295.75	79822.84	69959.43	71126.73	68817.95	112726.71	104566.71	76701.4	90355.01	98364.77	126229.72	128323.27	87538.56	110020.5	107660.72	119199.73	81728.38	90974.09	92052.16	133691.88	66311.76	34954.91	52542.18	83434.18	81994.77	49289.47	80213.12	66776.84	50933.98
Anthranilate	66001.65	76586.98	35405.71	34253.66	32913.61	119075.32	84962.49	44622.55	38069.79	49146.91	87808.31	85576.43	48249.07	57599.67	59667.5	26606.83	43073.8	80869.84	51753.82	41295.13	102854.65	127463.04	70853.21	153543	116263.63	64120.67	220410.25	78775.38	54173.02	115529.52	48739.39	89441.16	89243.79	58154.32	36474.75	157898.06	92797.01	12806.45	36430.23	63870.89	41367.18	29446.95	45773.67	67119.57	69652.98	31631.6
arginine	223569.83	164757.5	195550.55	199314.58	111258.34	480579.5	326320.25	468623.75	286848.22	467697.25	449690.28	392291.22	259456.2	281288.84	303311.28	340364.12	278456.62	181611.8	228279.33	232839.19	220599.08	205160.25	282824.03	318511.25	250773.42	246040.08	305781.5	406541.66	289590.78	274615.03	348232.59	286768.72	355413.75	222436.88	289800.59	213875.58	367603.59	244242.38	116484.03	110974.46	201495.25	242427.52	128612.02	213469.61	174682.92	90940.47
asparagine	154231.25	132124.19	196732.05	171144.86	146576.16	216756	274534.34	379140.28	271080.84	341283.66	390736.41	340685.91	270505.97	321865.59	338630.34	317850.53	251897.92	199778.31	240285.75	247973.5	269647.59	207747.06	316326.16	327776.66	241019.62	271416.31	282694.41	443937.16	268706.44	261261.27	376945.47	294983.81	390803.22	214323.8	191508.52	242986.58	426338.09	269042.5	144206.52	172950.48	199990.64	206326.25	138481.89	263298.91	250667.12	129166.96
Asparagoside A isomer	13346.6	5915.99	8532.4	10789.98	10328.65	3650.76	17987.67	18349.74	13001.32	19677.93	5641.65	7493.2	14227.5	11920.11	2274.01	13887.72	16707.94	9809.96	10693.31	12009.63	12868.46	14510.11	18055.37	10815.39	11307.15	8648.42	15175.41	16781.7	10471.83	10589.93	16709.24	14778.83	13299.06	12310.54	4479.7	10963.8	8747.93	7732.21	5841.29	14855.01	9422.53	20714.29	9796.66	11655.58	10921.42	9318.16
aspartate	85508.58	54048.46	81230.15	58668.79	39765.34	127259.02	63324.59	94560.38	91358.05	92673.88	67569.62	63752.05	46879.15	87810.38	92230.22	81843.27	68692.09	67322.87	68929.63	66493.74	96039.06	87532.38	66364.49	78821.9	67440.98	102857.99	91152.76	89803.2	161724.81	75946.82	84132.99	68176.95	107922.45	71301.3	60454.75	119512.19	119330.31	59373.5	37327.74	70701.52	65152	69171.29	49909.94	80629.36	71301.59	76574.78
Azadirone isomer	105599.23	193267.25	145944.88	164330.86	113179.12	151691.2	187595.17	184879.27	178520.2	217786.3	267822.66	229350.33	134724	233262.38	211469.17	145490.67	206353.86	229833.39	326329.75	269306	167563.39	273063.59	275759.16	195681.19	300911.53	225789.12	291053.06	264331.69	373400.38	348867.19	227649.48	309741.47	333649.53	258313.83	188184.61	220216.95	532986.5	173902.64	150846.02	186940.05	230455.58	195605.7	157023.67	236981.05	185242.17	143746.48
benoxinate isomer	35554.28	30374.29	35516.81	37922.33	25668.68	30051.42	42722.62	45234.04	40132.85	32927.37	28172.1	37386.3	32348.93	33214.79	34232.85	55871.18	56305.22	43348.63	42628.53	42901.02	49972.93	54989.91	49701.18	55857.92	56098.75	73122.01	51490.39	40866.25	69243.81	48368.3	55242.15	39201.93	49387.58	36916.88	50365	58915.36	49635.52	30484.08	21230.33	39960.65	33879.18	48023.22	28531	40495.85	39621.41	22334.66
Benozic acid	1520305.5	2028394.38	1309783.62	900587.56	1087038.88	2494528.25	1549643	1070382	1058335	1580350	1922135.38	1948071	1042085.81	941475	1459668.38	611313.31	725871.75	1002654.75	1506797.38	1039875.94	1234352.88	2073868.38	1991228.38	1553454	1342407.88	1167457.5	1413891.38	1477509.38	987178.81	1496477	818977.94	1597218.38	2215719.25	1344214.62	640213.25	1381431.38	1837155.38	802638.06	561394.06	1034505.75	715835.31	617701.88	556291.19	1654109.62	835907.06	708703.25
Butyl isodecyl phthalate isomer	83973.81	105941.37	60247.61	81750.62	82539.21	127630.4	106364.09	114648.6	95676.04	136555.66	60797.39	89046.43	71002.8	98430.37	122439.45	64961.21	204593.48	31268.24	47303.47	60990.63	88251.16	153942.52	100484.54	65435.31	65742.45	134403.75	91376.16	114338.56	126902.69	99546.4	230953.58	160679.98	153445.67	74448.82	75114.12	56085.39	43509.15	48206.73	70657.77	62685.77	211597.38	67433.76	59803.77	106976.09	129641.44	51360.52
C14:0(Myristic acid)	42078764	40810348	27619970	43476512	23889654	7118056.5	81233512	32358322	34075084	1126866.25	41639904	65802100	40040324	65109500	9767627	76773328	90577960	95184640	11812661	60023520	90313928	85994520	72216216	36889024	122418752	118485856	96609128	70106520	51665376	98122536	135881216	44411132	78774664	73757776	119809472	171009168	167772720	46141532	23965542	36885420	63041856	40191620	38656144	41182656	81900488	18098832
C14:2	2200907.75	2614934.25	1055697.75	1174304.75	1385526.12	855897.19	4063498.75	3751477	2467823.75	1530533	1082228.62	2758711	2728516.75	4212424	2544473.75	3360924	4574249	4151724.75	4536079.5	4917299.5	3906662	6269102.5	4107095.25	3756471.25	5997954.5	7410914	4129318.75	3847659	9985549	7999624	4794371.5	1790489.62	1676627.5	4144410	3816998.75	7364816	5953396	3613990.75	1572623.12	3293692	7281998	5163884	3836651	4792960.5	3720684	3308933.25
C15:0	18435350	15456323	12120220	13657559	10165164	3078531.75	11994273	10870847	16394719	4752436.5	14510501	16853690	8998386	11496447	13068865	10483075	13561625	11902125	15916693	12092697	8757620	14842285	15036309	10434710	10651836	7932303.5	11494105	12209960	10363140	8162344	11360380	9052539	8742725	11603653	38133392	10519887	19872798	9311655	7597237.5	9551929	9332898	17497960	6717748.5	10089033	8379070.5	7560641.5
C15:1	2233028	1551598.38	1515918.12	1292216.62	904217.31	294526.59	1675091.88	1773868.62	1623572	599443.56	1402449.88	2809107.25	1072406.62	1126770.5	1545411.5	1029106.31	1138264.38	1175780.25	2017289.88	746373.5	560096.5	1034554.75	777383.5	879783.94	943998.75	889079.06	1061928.62	859389.5	878672	692474.69	775843.19	734756.56	535009.69	800842.94	7112884.5	984194.81	1319590.25	593030.44	625223	942410.31	857701.81	927394.25	437454.75	632506.81	625372.25	496852
C15:2	137058.05	236322.52	77310.74	158230.95	73288.47	119672.73	459585.53	431235.66	152398.67	186504.62	168186.77	227384.56	77068.52	272311.09	179179.89	180946.75	272927.34	192787.98	266071.47	301082.44	258315.23	374397.22	353553.25	352748	272186.41	310622.03	228880.81	163572.77	385685.34	275438.34	346770.66	270948.53	215343.92	333464.09	201312.36	286729.97	249974.92	134434.17	146869.14	115276.59	298975.75	275123.5	202599.45	138766.66	232996.83	135782.92
C16:1	66895280	60392372	39904268	61734852	46452544	24399942	120168216	149314960	69012920	40099332	44786868	91698016	52001748	83411448	54452604	267587888	224400240	327840896	139292400	125779672	180161408	208096048	131911240	157529424	267068976	273466304	271473440	164141248	107870528	248563968	269546944	146951168	129634600	132187976	218027776	364214304	337795104	107605608	54114516	81767168	201775600	302742624	81132064	119867808	188195248	117268248
C16:2	3228651	3154777.25	1528605.88	2778594.75	1256136.38	1017580	5052734.5	5030931.5	3575646.25	1195928	2745335.25	5539585.5	2659510.25	5253821	1998369.62	3162528	3781019.25	4068392	1441970	1307028	2683790.75	2949074.75	1900233.62	2183560	4515184	5169315.5	3422543.25	4017445.25	3321990.25	3471018.75	4294693.5	1325476.12	1870293.62	3267483.75	4719016	5496810.5	4957814	2179077.5	542336.44	2379973.25	3364673.25	4419184.5	1496862.38	2852692.75	3101860	1414189.38
C17:0	14932388	13416843	9539565	13032981	11991125	8399845	12964149	11220720	12985109	13628048	14431025	16416741	10871171	10684343	11030589	9389485	12019008	10137917	12468027	11924823	8225469.5	14372605	15533423	10389356	10867653	9150728	11473804	10804474	12664057	11138067	13440856	10415187	11359875	10265603	21600586	12561104	16659587	9467238	8778899	10433256	11550280	13273741	8519573	11317152	10114999	8761869
C17:1	6732896.5	5900116.5	3651418.75	4578408.5	1546546.38	1305338	7021390.5	7988185.5	5480922.5	2543606.5	5219211	9326615	4726264.5	5633618.5	4879295.5	6424750.5	6262408	7362663.5	1562934	3060218	4448858.5	6692836	5129428.5	6254323.5	6749347.5	6665786.5	7238717.5	4820606.5	3495546.75	5658950	7269610.5	1973152	3118031.25	5394333.5	14060885	8452516	7740424	3357222.25	1995994.38	4341501.5	5654666.5	7575166	3250214.75	4314517.5	5463274	3963216.75
C17:2	716504.44	788321.25	333628.28	457969.12	372523.84	366425.59	1110128.88	1121255.88	671208.56	600437.69	634801.94	1065903.12	630133.25	734177	630794.94	634968	416513.5	526185.94	522788.66	255382.56	401993.84	587457.56	463672.47	464729.62	724159.56	624785.69	621217.56	365315.91	612483.81	523229.72	621087.38	409664.75	316164.44	458435.91	511913.12	807799.81	837614.31	350691.53	168270.02	352248.91	524761.81	530103.06	320148.91	420016.75	488598.41	327716.84
C18:1	82850904	30254454	114003176	63181216	57505376	8917403	243781504	40175328	46918164	21466196	94253800	177679248	386307680	111348160	16447216	121983272	120081000	24600842	24371910	105612768	122926536	406893216	543024448	67945928	257212352	140953984	148192576	81791136	47014476	92769664	271016672	83069288	310336992	50110484	187495232	266855344	454267040	84309832	207881680	148609872	84704968	78731624	152295744	337362176	86177400	46657484
C18:2	162304048	50726996	211854544	65603452	86751480	9899764	595669184	74305008	38467732	32057024	145213904	179971568	378241408	419073632	27087472	159323088	568574592	160773184	29464478	219943280	274750208	500810016	374060320	266144368	700651264	776585536	403007616	224085520	87930104	182115072	860804864	96311232	402128128	213667392	239834864	887764672	899638080	171246832	150513536	408931168	230298736	176758528	282153184	421347808	181289648	63844340
C18:3	49759020	47067968	26838056	48784660	26833218	7863860.5	78751056	98814840	58005908	15910616	52632268	93349336	46584132	89809384	59613452	19402716	16222836	22562192	13109973	9350611	12357645	14381141	11535752	16044800	23285430	24654224	20993248	19530394	24699994	22356438	24019040	12912583	12032600	16160203	21735614	29857134	25998378	11037837	5644530.5	14077740	19006048	25155384	10752100	17123040	18660598	14571903
C18:4	1862257.12	1747182	1123898.88	2089575	911680.69	1432568.88	3442931.25	3109233	2284601.25	1781042.38	2076034.62	3291783.75	1716632.62	2516494.25	2003264.62	482801.59	232815.05	439839.16	363543.66	206492.39	291872.97	263293.69	177067.67	409907.09	393773	467961.09	545446.31	465132.5	371736.34	612412.5	435939.09	434522.5	238052.52	357734.09	420158.16	552257.5	582094.75	200494.92	123021.49	315941.78	317640.22	400167.12	336016.69	421089.75	339845.09	246842.42
C19:0	2347835	2290009	1337740.62	2236075.75	698041.5	815196.31	2513586	2036023	2153913.25	1044344.19	2028188	2821457.25	2293178.25	2491559	2224020.75	1807845.5	2297753.25	1086152.75	1168960.62	2401057.75	2209186.75	2724992.25	2532571.25	1879920.62	2256367.25	2189186.25	2152803.25	2137685.75	1003333.94	1263100.38	2487100.25	1778719.38	2227115.75	2451378.75	2910468.75	2282380	2587487	1859741.88	1626223.62	2048388	2339512.75	2361601.75	1618848.62	2061693.12	1704501.62	582599.81
C19:1	2175381.75	1963441.38	1063230.38	1607409.12	1343244.12	739328.81	2247578.25	2912917	1993362.88	1334606.38	1956784.5	3334245	2093969.62	2335922	1922780.62	1521009.62	2766398.75	2471243	1917427.5	1863553.38	2675555.25	2325516.25	1745592.62	2176531	3108386	3119180.25	2486326.25	2155576.75	1102931	2102392.75	3216218.75	1471383.88	1854715.62	2215359	2905050.75	3098933.25	3182462.75	1263031.38	675245	1701060	2890399	3004973	1375144	1832495.5	2356558	1816743.62
C19:2	235662.89	379055.59	177473.7	278314.16	170196.14	129116.27	251539.73	357406.25	396030.34	362503.84	256162.64	413710.47	199044.11	393343.72	310406.88	196242.67	285417.88	174100.17	198291.25	181494.12	228631.83	231643.48	195415.39	261891.55	295872.97	266512.47	240672.33	294501.47	164119.81	307781.12	376497.25	184347.05	201951.05	345691.53	494392.62	319645.16	384411.91	73559.7	136644.59	305889.34	222728.38	328066.53	138403.47	201694.94	255500.62	219592.5
C19:3	97560.19	86356.34	42957.03	73080	55191.09	99200.29	154336.14	181886.62	106561.23	126134.88	72071.43	143028.5	129876.76	156788.2	81123.48	161556.05	181915.44	246409.38	105984.65	111294.59	178977.23	217693.86	189133.44	217735.81	210372.38	309071.78	215136.31	124290.79	235197.55	236579.2	250642.25	143244.23	102242.98	142961.55	199231.2	360654.25	90754.87	66791.17	82775.59	139453.44	242664.45	197222.55	98369.31	156339.08	232524.94	67509.53
C19:4	22767.19	48633.93	42859.85	40337.17	22643.63	87662.24	39006.62	40903.62	39867.61	87191.77	57772.75	74505.38	59216.95	69323.15	30681.46	29498.34	35084.97	13036.54	8701.89	10057.48	10112.87	54766.29	14994.59	63981.15	21365.97	26730.59	38246.47	36542.94	25245.32	23535.11	22176.61	12231.12	17077.2	22280.9	15324.75	58220.89	51036.56	34903.32	17118.87	14068.41	24082.38	28442.42	16237.28	7334.37	15562.81	4727.34
C20:0(Arachidic acid)	5079782.5	4414846.5	3449706.25	5889624.5	4684036	4335911.5	5110486	4017241.25	4956666.5	4111214	5019998.5	4617423.5	4583183.5	5336502.5	4947411.5	3885059.25	6240229.5	4394733.5	6900848.5	6642752	4969976	6523492.5	9066036	5400396	4847701.5	6403078	4473528.5	6353750.5	4661956	6673622.5	7009134.5	4356016.5	7784951.5	10967929	11249899	5558344.5	7227976	5385563.5	4173464.25	7499486.5	7342144.5	6606948.5	4904698.5	6113390	4395228.5	5055990.5
C20:1	10053907	8380608	4387120.5	7623709.5	4881098.5	8040564	13794113	15893501	11698312	7516076	7746569.5	16595564	13032976	16143912	10470217	7469866.5	14152152	18296146	12531960	11880751	16255141	13946611	12497548	11378603	24821630	24613768	14507785	15265025	9139976	17494370	28766224	7897872	14321853	17397596	14790149	22793936	20539238	9086224	3853085.75	9532971	16835948	23379528	8824945	10202871	15723765	9379125
C20:2	6040806	6150408	2835389.75	4761821	2786773.25	2743246	6781486.5	8712395	6663030.5	4532384	4340810	9319646	5405637.5	7416622.5	5759725.5	5546074.5	9211164	8165533.5	6505865.5	4947746.5	7497052	6357142.5	6365802.5	6094556	9820089	11146009	7104830.5	11552096	3158383	8366212	10722201	4261887.5	5224998	9770219	10343285	9499063	9371015	4542688	2162519.25	6597906.5	9779614	10941450	4133636.75	6457879.5	8631151	3863833.25
C20:3	7814742.5	7743972	3928840.75	6626737.5	5367041.5	5228908	9570978	11441632	8566696	6146807.5	6413253.5	11852580	6815450	9640897	7019305.5	7655178.5	11651261	12186075	8924901	8414549	9849561	9283919	7935693.5	10170053	12473879	15171621	11710512	15415855	7104303.5	12539243	15687865	7682265.5	8359211.5	12510437	11265507	12502715	11925115	6934554	3359698.75	7702199.5	12395083	12773731	6071227.5	9366030	11916585	8113581.5
C20:4	24421974	26428930	19415510	25434994	25987592	8986851	34299344	46257316	35816676	23655406	26235088	43848924	28708960	33100848	29680982	54319420	49535396	56447820	22591882	49936272	56985556	59661216	47620704	67903672	70667328	80698744	73158552	70942792	37978324	77457128	88533728	53127156	51859824	73256248	59922692	75319288	81113288	44970768	24049154	54245564	60168624	67156920	35134592	58219844	69543472	22006342
C20:5	10684174	10149415	6655227.5	12380648	9623541	2604732.75	16176083	19192116	13699008	8240318.5	11140185	19785386	10690857	13194700	10967560	1147178.38	748472.94	1320504	738028.19	594575.5	536413.19	847946.44	448102.16	876982.94	1236499.12	1109979.38	1506499.62	1212828.25	1230545.12	1653797	1147954.5	938409.94	538494.25	867216.81	1422585.5	1157856.12	1485395	628140.81	580876.25	1028806.06	1228358.88	1174250.62	593825.62	1220338.12	948707.19	880497.44
C21:1	272996.66	251584.52	245718.73	229237.36	188941.05	271184.41	426188.53	256043.89	291332.22	259027.12	249262.45	277835.31	360154	333038.66	241920.5	165323.98	239975.69	237780.89	276448.25	356593.78	370343.41	353092.78	351557.38	289931.84	462489	372068.34	293302.03	284204.12	385912	373884.53	575759.31	199766.12	189395.05	419338.59	304399.84	281331.28	359401.34	204899.55	125937.96	257026.89	434835.66	382600.34	228925.95	250839.39	337392.38	271503.47
C21:2	9963.54	6867.38	7372.27	8896.58	2727.18	1704.17	9796.89	20286	2016.48	4127.02	10529.29	9636.46	4329.75	13972.71	28264.57	13537.01	7904.47	13411.4	25315.25	15292.53	22100.77	38390.45	23644.73	29105.24	20364.41	27804.92	28446.83	23951.63	25500.11	32413.58	30569.63	46432.61	40095.76	22427	25501.6	31540.19	34119.22	19266.03	8334.79	27873.63	75748.59	29042.33	43457.94	47923.79	91728.62	10871.17
C21:3	14839.7	9131.47	13509.24	22758.72	13109.3	12844.39	23298.88	15521.72	11591.75	15538.31	18915.35	26130.69	12740.44	17749.01	9108.11	34257.6	44118.89	37720.71	33244.08	45189.39	59719.34	69069.12	79761.6	86223.02	61686.11	36292.57	82067.84	46137.38	49928.7	63510.62	67588.34	110750.48	82985.23	41865.76	44588.69	65068.96	79927.9	47718.25	35947.98	41229.84	125286.3	98248.38	63898.88	63052.2	127731.6	19360.08
C21:5	818660.31	996081.19	456302.09	953459.5	534070.19	309951.16	1094139.38	1104502.38	819121.94	843151.31	650345.5	1293857.75	687570.94	863131.69	835565.69	78431.66	98627.05	45290.32	31233.63	50856.44	28298.62	20242.32	67909.88	25355.33	137311.16	92277.88	88979.85	45137.89	133554.27	167475.19	35672.59	61075.48	36893.7	10657.18	112585.87	61747.36	51978.03	47932.48	53700.66	123395.75	47324.61	154542.61	40105.42	98888.99	34390.57	61161.29
C22:1	1260403.5	896032	707437.06	755338.75	759548.5	1246518	1428966	1135153.38	1198084.12	779818.56	682846.75	1114352.12	1345518.62	1819037.38	1184211.88	526859.56	1095313.5	1074610.5	1197203	1313776	1433912.62	1272471.5	1382754.75	653936.06	1612890.38	1476640.5	1015393.56	1141263.88	1932094.38	1427323.12	1556397.38	494536.25	998014.94	1914905.62	1233478.75	1316979	1332702.5	588556.19	404002.72	1062552.12	1560260	1138632.12	974655.81	1265339.62	828547	477788
C22:2	293656.84	271740.72	157403.67	228728.95	213094.77	244355.48	294959.25	241804.02	285715.66	198519.05	148088.48	265802.66	226955.38	359047.75	318579.84	259453.73	344281.5	252212.17	244884.92	211847.3	287796.19	291867.16	300434.62	252260.48	256170.45	399411.88	234674.17	412292.28	452914.78	323246.34	315549.28	162782.92	205898.14	446585.28	362375.47	225608.19	277813.5	169648.02	66850.72	391627.75	345343.03	397128.59	213938.12	247578.55	259805.05	221305.61
C22:3	220874.2	228445.12	136508.7	193818.64	149676.2	242728.92	293896.47	279647.09	292504.12	237646.55	142872.2	215193.61	198053.8	272538.16	256560.98	353551.5	739059.06	833609.44	669366.94	624733.31	666849.31	508817.72	522661.53	430143.66	819024.5	801130.5	351702.91	832017.56	924398.44	588501.56	865099	364369.75	505374.66	989204.25	645182.81	581756.31	651864.56	397414	196132.86	451930.41	642564.06	515516.78	301555	406647.12	546380.62	397361.88
C22:4	2591578	2856563.25	1519463.88	2094362	2014008	1963743.12	3302337	3446014.75	3420832.25	1855437.38	1670953.38	3393458.75	2649598.25	3870537.25	2918992.25	5757443.5	6823852	8918703	6970105.5	7434842.5	7686856	8394525	7438155.5	7641087.5	9236917	12984201	6697192	12797672	10203857	8856045	12890333	5187594.5	5272060.5	12152592	8741928	9439355	9916745	7340309.5	2308150.5	8479565	9524339	8153658	5415079	7858878.5	8678164	6685044
C22:5	9558764	10305405	5559344	8935501	6994790	7185860.5	13811893	14468224	11950379	7344840	6465999.5	15082493	11321493	12064509	12395576	5886162.5	9837659	9722758	7525468	9166283	9713053	10879336	7670594.5	8797675	10195463	13033029	7410053.5	11547355	11331543	7808861.5	13287009	4762096	4833089.5	12786421	9478690	10721421	11168377	6384077.5	2112534	7298504	11231649	9341468	4982474.5	7414267.5	8618501	6493765.5
C22:6	48427348	39278084	29488650	33627092	32956922	11008876	67991656	46190444	38103588	24958400	38629824	77557664	61915184	75627096	26950938	19668270	16923818	20110482	16871972	15843705	14118781	19469194	13152621	18745216	28091616	26949354	23621038	30227070	23936912	30075784	23570546	13268771	12460597	18407338	31032542	27630306	30855256	15239056	6518696.5	18626066	24793174	28045336	13852371	20789800	22281806	19051190
C23:0	697320.56	577063	505039.03	591051.75	479999.41	423036.5	683366.5	410148.62	699075.19	682140.75	683482	584937.94	517247.09	526249.56	595548.75	420637.25	590963.44	608897.69	859295.19	816572.5	536457.75	870042.81	871699.75	653964	567872.31	539227.5	676069.69	681419	667887.69	549810.69	699028.56	576250.69	562857.06	821818.19	1527945.12	535482.31	1083771.5	686489.69	409085.53	521796.47	496483.47	609622.94	371961.41	575810.06	395044.22	241740.52
C23:1	169181.45	158543.86	118322.22	115596.15	106927.32	138970.95	275071.72	196286.33	172932.97	200607.2	132411.95	170758.61	185665.7	209552.62	198982.17	108018.91	170020.09	153543.61	225518.31	248416	183948.02	243160.58	171683.38	115108.15	208289.75	199282.5	123068.84	125989.18	193247.31	215662.88	183107.88	135600.44	193833.62	219389.55	203339.98	162088.81	190283.98	82555.13	83159.15	171921.05	251841.92	135074.55	108615.96	217988.23	132313.66	103935.41
C23:3	4067.65	11361.14	9350.87	24241.87	5707.33	12563.91	17669.28	5711.76	6082.83	19618.62	14124.53	18983.82	7088.79	10275.38	8122.05	10644.05	26138.44	21433.31	27062.71	24097.66	28369.19	46445.82	44219.01	64803	40418.46	31339.82	42446.4	22594.13	40320.33	30172.99	32766.15	75280.38	53147.89	38455.86	29826.68	40998.44	57650.39	42536.66	45309.24	39962.54	87212.87	28790	38881.45	76837.12	129327.31	30715.15
C23:4	10777.66	6562.6	11541.84	23169.92	7489.28	8312.55	15949.25	13498.05	6936.24	20426.46	10478.19	23471.29	12795.4	12309.73	9260.79	18771.38	22071.43	15282.43	18356.42	29744	27631.92	45787.38	42900.62	58693.05	31869.46	23979.92	37350.93	21048.5	36659.64	31392.82	26967.14	52536.72	53033.92	15603.54	24205.63	31126.82	41813.11	14303.59	32273.05	44488.91	61947.25	60041.55	40751.12	36858.2	65792.03	14102.18
C24:0(Lignoceric acid)	1885014.88	1425030.62	1269376.38	1217344.5	1349913.62	985518.56	1538872	1035584	1616510	1669113.12	1635645	1118893.88	926145.31	1166401.88	1280324.5	893758.19	1217033.5	1341713.62	1808172.62	1768644.62	1298143.5	1637115.62	2079744.12	1196715.12	1420907.38	1140440.12	1529700.12	1627311.38	1151494.75	992396	1546713.88	959207.06	1219314.62	2111635.75	3217467.75	1061141.75	2407854.25	1951936.5	854145.25	1392057.88	974571.81	1897123.5	736983.06	1625717	906637	531677.88
C24:2	213566.94	206104.88	98717.98	188152.8	215892.67	202481.2	240848.92	225728	254737.98	224144.17	86143.5	173081.39	235086.58	259662.12	264871.62	145797.89	183676.3	167926.3	224370.86	254950	214172.8	282885.09	294269.34	172013.8	183283.64	331359.41	164643.83	235162.25	366809.34	261918.38	206131.23	101748.02	165492.67	345882.5	224759.25	188205.88	199434.58	77625.87	94111.91	253335.73	252975.48	131102.92	119302.48	268891.09	221576.75	185755.05
C24:3	19899.05	28445.38	15129.82	16391.14	14794.77	15384.27	28986.15	8648.3	34677.04	10414.27	9582.19	21659.53	14928.92	30283.95	34093.52	18094.32	12633.95	38041.54	27553.79	32494.5	36771.56	34415.05	31024.43	15175.11	32084.99	33678.96	32361.95	30188.23	38596.04	50297.89	36894.83	17225.59	20865.62	49971.51	33668.85	22541.46	32595.07	14967.96	6340.09	27983.04	38007.6	20674.83	28669.24	32036.72	34245.39	17456.64
C24:5	457143.75	550548.69	203813.44	315587.59	189179.69	314423.12	567619	548160.69	528322.69	325004.84	320382.03	509772.84	413737.47	576482	538854.44	385047.59	878142.69	1090840.5	879669.5	875278.19	807125.56	741550.31	809757.19	623883	916095.94	1122154.12	528210.31	1301289.88	1243501.5	836110.44	1305120.62	405282.91	529755.94	1687719	670097.94	787695.31	856527.5	507947.53	177907.48	563777.44	749511.69	624988.44	346035.25	583896.06	735170.69	326308.12
C24:6	1014360.06	1242932.25	503108.09	761069.19	439581.72	923994.5	1298239	1539217.62	1330424.62	808467.44	699886.25	1193171.38	1011044	1426085	977181.06	271331.5	388521.5	422735.47	241930.33	244571.83	287194.5	290287.72	274675.03	164966.23	432888.78	559321.31	370748.25	638942.44	344902.53	552891.56	430442.97	225790.73	217104.64	381693.78	524666.44	359405.34	497591.62	265948.19	128370.02	322795.53	457265.59	279158.16	278383.5	358803.22	406880.03	192450.7
C25:1	94861.29	71077.21	90092.27	55226.64	50134.16	22868.45	109497.5	73497.54	37799.62	93530.34	97148.81	72546.09	90890.23	103893.02	79163.09	43093.83	56256.6	56699.32	67999.55	85663.04	92076.52	99298.63	66929.12	65029.07	78581.35	74425.38	98700.68	63052.59	104124.62	73307.37	53326.2	51177.67	59506.67	70276.31	114068.66	61392.81	101521.6	26630.71	39200.75	69180.03	100602.37	69587.73	62727.84	66410.63	73585.41	38861.21
C25:2	9188.25	6350.52	12311.35	8107.08	5534.23	8000.84	14217.49	4519.41	10607.58	20729.81	10464.96	14724.14	12094.06	12472.99	7307.77	5231.86	9558.3	10407.72	15463.87	9852.16	12369.69	14567.96	11199.93	9084.86	10786.57	9558.02	7444.2	11965.14	15410.22	8386.81	14275.51	15104.77	13090.73	9655.6	8310.79	10401.24	13089.16	6388.6	6925.69	8426.97	13267.14	12294.77	8888.46	9596.05	17752.15	8171.15
C26:0(Cerotic acid)	511818.97	348215.16	319941	311773.66	371427.59	212546.06	424913.72	249584.06	527905.06	409950.97	382978.12	285276.12	233612.14	256134.7	264179.03	236429.58	315191.47	322950.12	458943.78	509152.5	237345.02	409139.09	444651.38	333666.97	353001.91	279050.5	433896.78	366030.34	376151.59	250036.81	351351	287211.44	309227.44	501732.22	958510.69	278321.91	662350.94	500534.72	233024.5	283823.88	182347.94	423891.62	146772.31	402574.84	199047.75	188239.88
C26:2	19305.4	31583.1	9669.82	20036.03	15482.11	20361.22	26023.95	14132.59	26352.19	43448.76	25059.69	21382.71	26323.62	27314.71	25047.28	24584.95	23236.42	25100.65	33833.68	28518.1	28808.32	44134.45	35833.5	19437.22	36767.19	16679.75	26792.15	33837.7	43932.64	36990.52	30034.35	30186.39	31639.82	40946.25	29316.5	25471.44	31061.92	11391.27	10764.25	52558.84	41507.29	25606.38	20595.22	20923.76	32052.54	19301.6
C26:3	10548.79	10629.74	10493.42	9327.27	8219.91	8248	15705.91	14080.53	16406.51	7190.26	7965.9	19161.13	11252.76	15005.57	14141.95	19913.33	15372.82	9770.28	13872.45	15425.54	13034.3	17730.67	14558.11	13424.88	17131.02	13194.77	11344.57	14762.11	27989.54	15589.38	21805.74	22266.95	18346.65	23056.07	14059.34	14161.14	18381.59	8589.07	8354.35	12362.34	27566.26	14840.97	8822.06	14038.43	13977.73	13832.38
C26:4	11150.99	10760.78	6537.85	5831.21	6633.83	15729.08	16861.02	9254.87	22136.49	12524.69	8114.01	12842.44	15077.25	19439.66	14820.09	13067.2	14278.07	16875.35	22739.06	20836.86	27497.94	37233.2	19604.55	11628.87	24272.41	22968.57	15841.52	26201.69	27044.84	31769.2	15756.33	14283.92	11789.13	41696.57	25202.34	16598.28	18109.83	10413.62	3543.67	22661.01	26008.52	18117.7	10335.4	21484.14	17886.96	10125.75
Capryloyl glycine	333957.34	276920.22	359500.62	244702.92	257250.45	151633.88	465719.72	329358.78	330712.84	466472.12	188048.62	284682.84	255818.48	318240.41	309055.53	537985.69	489646.09	401251.66	357175.12	440098.75	505834.34	631435.12	518098.5	565204.5	424806.25	524678.31	596121.19	514538.5	589884	509424.22	723706.81	477593.59	405586.03	356690.09	299297.12	426961.84	300185.84	304539.66	214579.39	305646	476955.53	437372.75	332394.62	637502.69	365109.5	243971.02
carbamoyl phosphate	17666.02	16832.79	15137.7	13314.88	14289.75	18714.43	18118.27	19775.46	17095.69	19681.85	17497.2	17112.32	17086.23	17859.82	17129.68	20960.51	19123.21	17549.88	17807.42	15119.18	15251.14	16470.54	16383.45	19852.08	20168.62	17977.98	23260.2	19383.63	19253.65	19297.5	16662.03	19988.41	22106.53	19056.71	15837.11	15446.59	20177.84	14936.57	11731.91	18877.02	16932.09	14622.61	12853.21	16519.4	16483.24	15415.53
Carnosic acid	29615.86	20902.05	36428.19	20629.35	15661.04	22631.4	62745.95	52281.11	35046.64	51076.01	40871.47	62518.33	52774.58	45468.42	50023.61	38268.5	49319.12	29084.97	34454.47	36033.84	42790.31	58244.06	47759.21	34743.86	30396.74	31415.01	37110.63	33385.62	72875.62	43037.68	37077.54	39776.77	29969.15	25842.46	32859.75	27643.29	30562.02	18703.1	43787.66	23918.96	56712.97	28980.91	53609.62	49059.68	33308.04	59691.76
ceramide (d18:1/24:0)	45600.17	27368.19	22731.57	18009.99	32315.93	70820.87	60813.08	24556.19	26604.51	32585.94	84355.01	41304.88	22434.71	21494.99	25717.22	43853.34	34100.53	27318.06	30962.06	25544.8	47457.77	41215.46	115759.91	12397.07	27441.67	31403.3	32196.66	175958.5	14659.41	10966.47	34387.74	31610.89	29283.96	40216.46	76758.07	25143.94	0	10044.03	22877.24	34825.55	89505.48	11528.37	15321.15	100530.59	48847.09	26357.4
Cholesteryl sulfate	10529572	8471591	7865088	7164125.5	8357126.5	11141703	15317903	10086291	10163821	2362974.25	11909665	10352211	9778731	9387781	8824061	13737773	13749075	8933711	15805475	13488323	16076656	15345489	15317808	11161477	12174741	13779551	18192444	13503432	7476048.5	11708723	15716765	12412099	12198593	14123841	18694078	10940148	14504616	7971498	6984663.5	10014209	11268280	9365687	8352083.5	15696232	7465732.5	8646217
cholic acid	1714649.88	1922790.62	3674410.75	1573668.62	1377085.12	2108945.25	3724222	6295758.5	2953011.75	3855031	4405444.5	2499259.75	3861575.25	4235750	3901191.25	1839773.5	7880312.5	1224985.62	2092126.12	1679874.88	3075734	2874305.25	4647888	1806102.38	1462700.38	1905466.5	1277451.88	1696018.38	1215919.75	823299.44	1162590.75	3347626.25	3183741.25	2304773.75	1477882.5	935645	1404128	1101642.62	6238934	2579695.25	3975012.75	5796854.5	1422432.88	7479163.5	2328601.75	8914303
Cinnamic acid	133204.11	77212.77	86575.4	88277.04	82146.37	56981.2	61559.45	68491.31	63800	117396.05	46604.59	53695.54	50166.2	80563.91	105730.57	100916.35	184860.45	64539.42	51645.54	33916.68	53467.57	134617.39	69877.37	31582.42	37293.43	33617.98	32510.7	119833.66	50908.4	35077.18	43078.78	62073.84	64971.86	122651.29	66332.85	33656.73	40035.08	108839.37	32710.33	117739.91	204673.38	40368.88	30962.96	108310.63	75054.88	36944.02
Citronellyl propionate isomer	605036.31	488838.22	340953.38	321988.41	272514.16	181607.27	750744.56	522604.91	452721.72	352350.09	277379.84	439023.88	632015.56	690028.31	518302	316132.47	404205.62	299296.53	330685.22	457992.38	343029.59	785415.69	508166.09	319769.5	406021.72	534968.69	375394.03	265870.97	474447.41	520233.97	310649.72	145213.64	214820.25	311898.34	485004.22	384766.75	556938.69	148039.58	190996.39	263535.72	552666.06	225077.95	311861.53	480578.91	260408.88	265850.38
Corchoionol C 9-glucoside	11643.7	16618.24	26789.75	10866.11	10617.93	21280.69	33453.43	37044.08	14722.89	29451.66	16592.33	8602.55	22130.71	22558.42	10917.83	3078.51	5878.64	3653.61	9205.38	3882.02	11493.21	3845.88	10627.28	10362.82	11568.84	12229.18	18586.62	13353.52	5139.48	9615.1	4738.25	13499.8	7403.46	9193.14	12371.65	9674.68	6153.08	8676.95	8892.2	9725.33	10419.22	6472.79	5842.94	4450.61	4793.69	7231.25
Corosolic acid isomer	51027.23	31325.17	70189.43	100865.4	31324.52	27442.2	87301.06	77433.23	123510.79	118532.06	154753.27	135877.94	72845.12	101375.43	126203.88	83917	84610.41	53513.45	71084.02	69907.8	136320.92	224086.3	275454.25	202911.02	124237.63	126234.23	115232.55	107993.73	129106.63	124643.34	188227.48	288501.5	232110.8	59134.07	99728.6	134154.17	107931.25	115830.01	142165.5	181505.67	312509.16	340044.38	164771.98	186947.75	263715.66	70620.18
Corticosterone	90616.79	72220.72	93458.18	78954.33	80461.37	102300.87	144988.02	29629.28	129082.3	217008.5	94056.85	137411.36	197941.92	141209.23	107699.94	22811.2	27997.51	122430.06	124106.04	141998.12	78359.73	317398.81	149535.89	115379.98	110898	158277.86	61336.69	106722.95	319094.78	111724.38	121208.73	44745.77	82926.87	65157.71	66948.24	207964.23	219804.86	131591.86	46707.56	81573.85	214869.05	88331.99	190881.5	182814.69	95569.85	132920.27
cortisol	140106.33	114773.46	138387.64	46362.88	89568.55	243330.06	171514.83	84630.2	224744.12	278876.31	87042.02	165663.08	276677.66	193552.58	164591.36	109028.75	81879.8	148776.58	190422.95	194559.45	109257.44	283639.91	269925.22	137404.55	103810.72	160595.58	69710.04	118873.2	330177.41	99578.29	158372.62	93284.05	127965.77	80026.15	40121.72	92101.4	79822.45	94542.84	70982.79	128960.35	192909.98	69338.74	159701.73	288981.34	134850.73	192302.33
CPA(18:0)	39536.01	55560.6	42863.02	58865.17	51598.15	48011.28	59683.31	53115.68	55833.64	52902.13	55465.98	60964.6	51536.14	49655.21	55215.2	59438.27	58109.41	50341.86	56348.82	51315.69	51521.97	76298.62	61864.53	55589.06	51162.86	57908.68	54410.33	46770.06	58221.94	59257.47	52876.75	48644.41	59759.19	65260.42	66773.96	53791.33	60968.1	50265.96	55769.13	65754.6	54606.97	51774.08	59435.52	77406.48	60946.43	45912.31
Cresol sulfate	1102240.75	870247.5	1344091.12	595393.25	1212943.38	739715.81	2363641.25	1162200.12	689099.5	1212906.25	1454751.62	3258209.75	2062346.12	3962370.75	4136695.75	11890925	25399114	14955211	25304520	14413209	11718931	31722474	46294752	18563630	20373488	19818242	42264348	22507978	3057277.25	7890876	26546986	21927050	18605750	7611254.5	15695992	19043944	34452044	6267374.5	565351.19	1633706.62	878924.5	1013625.81	1299787.38	1061242.62	1243154.88	621165.25
Curlone isomer	28849.95	24035.97	38959.79	11991.43	21315.79	48782.69	49766.06	49294.7	36354.68	42209.68	40393.27	47184.95	32382.39	36769.62	34262.89	40770.28	39464.21	36944.82	36230.71	42993.27	21474.17	36862.21	15914.27	38660.93	43681.71	41543.57	32487.59	65374.39	50177.42	49190.31	39317.31	47834.8	45581.33	38395.7	12102	40223.72	55519.11	10691.35	9930.38	31484.97	32628.03	33647.84	22714.7	32395.08	18020.92	11348.22
Cysteine S-sulfate	199454.2	167264.95	150603.03	160956	107851.62	100008.09	137886	182888.77	106211.81	117420.9	116457.45	206344.56	170781.97	169221.92	91769.12	211039.12	471549.25	161849.12	112396.06	278174.59	206111.62	167128.3	334428.47	199460.5	226416.06	268541.16	129446.01	293270.22	137780.39	254456.83	199379.08	291591.28	246433.98	258503.55	207502.83	199335.77	373703.59	171415.7	152267.69	139205.7	309626.34	272614.72	145944.58	265515.16	187058.92	103261.12
cytidine	69673.02	37282.56	32345.75	30933.76	33469.67	63806.48	44807.5	52104	50790.46	59052.42	32275.39	23859.51	39534.72	57558.36	53941.31	62776.57	63725.04	38764.25	46926.54	60530.77	72347.66	60246.85	53821.3	72318.22	58435.29	100426.34	76070.69	167076.44	73871.06	74978.59	75182.36	58232.02	54261.97	63995.64	35364.88	81621.7	90019.46	104577.47	24659.9	64348.22	61326.54	55454.48	37616.46	106965.19	57952.53	50349.69
DAG(15:1/22:4)	46558.23	32992.21	202119.42	243905.89	216079.89	486803.97	307629.38	113731.24	167341	131889.86	303997.84	111668.41	158193.3	202334.2	328290.41	1534338.12	1465270	467728.5	395475.84	1782133.62	1777084	2352851.5	1546450.12	2102983.25	2925492.25	1251695	1558754.38	1417348.88	1908191.12	1426298.88	1929929	2128277.75	2866236.25	2836314.75	1460189.12	1040045.69	1900349.88	334724.62	1648263.38	1333113.25	4189714.75	3201950.75	1504677.88	2343222.5	2789878.75	1548332.12
DAG(39:5)	0	0	18819.17	13907.9	0	69452.47	12962.55	28359.24	14148.65	56741.64	21425.05	0	62933.34	42585.47	11944.56	9289.42	13440.32	20183.47	37733.41	76505.25	62071.08	74621.05	127378.79	106140.84	45732.02	37195.21	33745.37	15011.55	110055.81	28212.42	12570.31	129358.54	137582.48	108927	100769.2	107950.27	162392.36	0	321852.12	162480.53	463240.25	219264.17	120460.79	303056.59	267681.53	210890.89
deoxyguanosine	138295.8	64308.86	71686	189038.27	6603.27	21519.83	79583.34	55130.88	47646.46	171172.2	77532.84	384893	18941.16	47025.67	15902.25	3174.66	4467.16	23937.28	317718.09	56675.67	51949.02	79535.36	34290.78	52110.88	24434.38	17987.42	80266.02	31266.55	426426.62	54939.86	109642.24	328070.25	392542	28801.37	225993.92	166668.25	432874.59	16974.11	42917.91	12715.04	183604.81	422757.91	38489.07	21523.08	95362.84	8092.21
deoxyuridine	855173.75	716498.25	639123.19	499938.59	908404.81	1358731.12	677268.56	1004456.25	1059394	1089544.12	550996	589982.81	756687.5	800030.06	886514.44	885991.19	953446.31	1025626.19	782650.81	930852.94	773613.69	615949.94	761700.75	1040518.81	598888.44	1129377.5	824799.56	1446144.62	536308.25	864551.69	1111642.38	663893.25	886123	1215837.38	916452.75	625706.31	647608.5	645409.19	406878.5	852675.94	504761.03	625183	376618.84	1284545	439665.09	561412.44
D-Galactonic acid	202352.62	179530.05	223647.31	175014.08	193079.5	217435.08	256914.36	222952.95	252960.64	312876.66	179764.25	238381.94	196609.27	249656.94	250334.2	182874.64	214704.7	184541.02	230397.48	220777.42	214430.44	299060.72	238563.67	223448.55	203898.05	240532	193111.38	283259.56	266799.16	248234.38	261845.25	248497.61	255492.58	223183.7	151374.08	210024.8	252386.75	227314.12	90678.52	169180.61	183347.95	246829.5	139904.11	292981.72	230994.25	150163.58
Dihydronaringenin-O-sulphate	47937.35	14361.78	171353.11	122751.29	75100.1	19775.6	40791.7	86797.59	132234.19	66202.45	48452.88	84413.06	94616.38	102506.18	65856.16	294.67	236.71	598.46	0	527.89	869.36	708.98	0	261.5	0	437.85	707.14	311.06	1287.16	357.45	608.45	0	219.11	625.67	0	277.8	0	758.67	407.95	589.58	834.13	363.51	890.58	0	888.63	590.05
Dihydronepetalactone isomer	141963.62	138269.61	85648.16	84463.75	85033.3	104484.09	211760.73	135968.48	131008.12	163022.92	101923.13	119215.09	160171.08	139050.86	143138.64	111646.65	81143.47	91658.59	107330.02	115839	128366.34	130865.23	111010.9	118825.65	127884.34	125301.81	158980.17	127902.07	134815.2	131318.64	138881.56	87902.38	115098.16	112779.16	113939.06	125814.07	199352.48	89684.21	60033.38	76735.06	122050.16	86791.29	101605.34	95611.99	86386.12	36908.56
Dihydroroseoside isomer	60669.53	37457.71	44716.54	13553.97	6855.21	23034.22	14605.15	92561.46	11036.6	27704.15	10362.21	48952.13	13199.19	36814.75	39424.39	4044.38	19213.6	19270.84	21753.28	14251.72	26873.82	6590.52	24156.42	21779.15	17060.12	72213.94	154410.22	28345.56	8708.18	15314.02	22198.6	18382.88	23536.34	23194.47	13753.52	20749.65	18172.49	6248.82	14793.44	16821.7	10308.2	5193.74	6281.05	7047.37	6249.01	3849.5
Docosyl 4-hydroxybenzoate isomer	281889	218661.05	236510.12	205051.61	371562.91	372181.53	343581.84	326684.5	411458	772367.69	291820.53	297937.22	256011.56	271638.16	306199.91	545874.94	407009.16	465445.75	303449.41	371304	359657.12	375417	469404.78	454848.38	403196.84	470660.91	224972.81	1126811.62	531271.5	516466.75	532617.75	371201.28	332170.22	687931	450667.12	283333.78	232479.44	224465.69	142526.92	237204.67	350423.38	269606.91	179300.75	285884.28	320889.34	233735.3
D-Phenyllactic acid	804250.69	671045.12	639108.56	570522.62	566213.44	648790	614643.69	514144.38	511935.25	733322.94	638456.12	611473.94	409134.25	509274.91	591497.44	567630.06	731851.75	548778.94	1423698	498571.28	495510.09	682417.25	683029.56	439176.12	523520.16	432787.66	433206	847334.19	467958.75	497382.16	471688.84	519258.59	572305.31	760788.94	491302.88	490592.25	717137.5	438776.28	393292.22	554783.69	817311.25	295235.22	278486.09	650852.56	377201.78	204133.69
Ecgonine	16254.01	19076.19	13392.73	17466.58	15448.44	10407.81	18625.97	14059.51	12296.34	13633.56	9805.62	9780.22	13331.27	15917.2	16525.42	11193.92	16954.38	10399.6	10694.36	17298.7	13807.11	37279.91	13767.45	36478.08	40020.07	19763.8	10958.52	11038.27	6771.98	13208.84	20613.38	21814.14	21939.85	22572.5	16239.33	14464.71	30398.49	9819.44	13877.26	13855.87	19502.71	25972.44	14392.78	14748.16	15783.33	9818
epsilon-(gamma-Glutamyl)-lysine	8664.65	7696.79	9976.2	8384.55	7578.58	14540.6	13874.63	14790.12	13574.54	19110.59	13075.07	13191.5	11406.37	15554.55	15115.53	17869.06	20814.45	16427.17	22121.48	16615.78	19980.32	15754.99	21833.69	17549.23	11140.19	24212.21	11716.09	29596.32	16207.83	14284.82	17094.05	10989.07	14060.09	16559.41	12153.36	21237.54	21487.56	15936.23	5164.91	13974.45	12178.81	14592.82	9186.28	18270.22	13225.58	8636.21
equol sulfate	8294516	5227248.5	7833570.5	5911671.5	3665407.75	3704509.25	4406194.5	7668947.5	5303875	10722742	8330690.5	7537178	4733466	10453908	7720584	17074.55	16448.53	9984.2	21131.09	8064.93	43334.33	7864.19	15549.22	10241.1	4793.49	12289.08	26679.63	18466.26	14753.61	11952.97	14636.63	15768.14	18569.69	16968.74	5332.24	12010.27	19037.26	12251	3862.05	5927.57	8731.46	35752.18	10074.35	8015.83	10449.31	4856.46
Ethyl 7-(2-formyl-5-oxopyrrolidin-1-yl)heptanoate isomer	14955.87	9349.2	9917.15	5464.9	11433.98	11411.4	11571.54	11457.9	12013.52	18874.53	12516.95	8905.96	7028.11	14015.28	9025.11	25612.55	27558.35	26108.72	20923.21	22100.26	25958.68	44587.12	32185.03	46359.67	28663.69	38223.62	40735.02	41441.04	40462.14	38516.68	42404.87	42121.91	37609.46	22960.29	30322.85	25325.71	34892.91	35954.54	22719.79	32200.08	47798.44	35133.5	26030.43	39427.6	15709.12	13479.27
Ethylmethylmaleimide isomer	57960.18	97551.63	37421.87	44836.07	37578.7	86950.41	75539.34	40190.71	21935.07	11379.24	68102.69	66258.84	71717.5	42278.81	28440.21	11352.63	33145.93	64003.74	47098.25	39009.21	70329.29	116630.44	51283.75	116460.69	105655.48	67983.05	196615.52	44958.36	29657.42	95748.34	32017.22	95105.73	44493.48	28214.53	31601.18	128764.84	66377.7	18723.91	19996.84	47592.43	34800.29	30406.95	29835.68	58450.39	60474.54	61454.44
Ferulic acid 4-sulfate	37365.32	24171.05	44771.67	23355.05	24492.01	49739.22	27822.86	49716.77	52692.27	77290.34	42422.76	33426.77	39298.8	40240.61	77178.68	6370.87	2660.48	3036.52	2435.12	3598.83	2146.46	1473.06	9281.55	6569.48	5100.5	13813.91	6489.43	5342.42	4637.47	3101.07	4263.18	6090.25	7727.38	5017.77	1196.09	1564.25	8384.1	15030.7	2473.18	4182	3868.45	5443.26	6795.29	6088.54	2265.8	1372.65
fumarate	214967.05	256609.89	326436.12	169029.41	195370.08	97150.91	183056.67	165088.88	214101.92	426062.47	222418.08	234377.83	139418.53	230200.62	212066.02	117727.54	178047.88	87286.01	133007.03	66980.75	102245.16	149470.27	224051.44	76605.13	72705.7	73240.75	60966.64	110431.15	85183.29	93868.15	71324.77	104505.01	142076.23	121720.16	54956	81262.81	79104.64	111410.73	82211.62	172056.53	151325.92	93445.46	54903.98	139224.89	76936.95	107107.66
Fumarylacetoacetate	73770.16	208746.92	162287.98	73200.37	39996.42	36531.35	257763.5	320069.09	207978.7	108388.99	19156.23	45731.08	43531.26	74584.75	164735.05	74362.03	22779.88	52445.72	120518.78	176966.77	33149.36	45619.66	57940.42	39513.37	25707.38	44679.29	30014.6	77637.35	32248.17	12457.24	59500.32	33612.89	53766.18	43168	131411.44	17649.64	31691.54	102547.91	17511.28	22702.48	8459.35	39073.37	61983.83	31514.56	82656.41	164800.05
Gabapentin isomer	51392.06	54851.93	29594.21	33293.11	20663.46	48429.66	54766	38486.76	30560.33	75961.04	58433.13	47159.76	36598.06	54915.96	51191.15	48013.5	51186.93	52572.14	90359.48	60735.61	41373.21	50381.2	49327.44	54194.91	78392.68	39430.19	69081.59	75261.38	73089.09	34223.86	58590.6	50406.8	47643.83	59674.36	63365.32	49886.78	98705.88	26644.27	19251.53	25471.77	32566.72	21400.21	24579.85	26421.91	23628.67	14498.26
Galacturonic acid	100465.22	95725.07	87909.79	66630.35	69511.48	116678.82	117288.28	107619.09	115848.88	146746.81	101672.01	97310.21	97180.29	136190.17	174372.47	95035.23	102377.46	76482.45	73195.29	64090.04	97615.6	103951.84	89774.16	100561.37	78717.12	97599.75	114146.57	145961.66	107013.31	82828.63	98741.73	89170.47	136047.81	100952.66	79807.73	117726.18	219642.2	85487.73	33395.49	71564.46	87242.4	109098.2	54169.82	112014.84	80571.41	52873.65
Gamma-Glu-Leu	19302.03	18638.37	18793.84	14115.09	11123.23	30167.38	22828.28	30930.99	30840.9	37667.84	27032.43	23741.29	15513.45	25287.84	34541.88	22169.45	26044.29	13845.47	22448.7	14770.99	19764.1	25398.71	30261.35	21269.27	15209.42	16570.22	19772.53	26363.08	28030.16	16908.54	17609.02	23348.24	30208.42	23758.33	13853.51	18656.52	28249.94	17712.02	8675.34	19319.44	17946.74	16058.12	8683.49	22715.61	17641.07	13542.42
Gentisic acid	2822625	2343352.25	2984593.25	2489218	1929255.88	1181603.88	2905014.25	3854214.75	2506719.25	1747721	3113188.25	3395740.75	1832527.38	2654886.5	2495369.75	79147.59	93899.05	63858.2	89246.88	43330.91	84368.66	59044.57	127017.52	63340.14	53155.59	74989.09	76832.23	135060.56	62724.39	59502.07	103166.22	163223.25	178361.42	104756	52254.66	71365.56	122327.56	53437.91	42412.23	84849.03	40168.62	70397.24	21702.34	83148.32	51212.71	30016.06
Geranyl acetoacetate isomer 2	977232.94	787834.31	1021511.5	1080627.88	899540.31	999260.5	1729203.38	1599175	1372343.5	1284866.88	1108993.5	2010381.5	1806599.5	1091266.38	1014651.81	268959.81	230212.3	143321.8	137578.95	288635.84	262826.09	213423.61	172991.39	146575.3	237994.42	287884.84	282132.47	187815.67	326243.09	519259.72	321438.75	317079.59	134798.67	194460.61	314307.47	235653.77	341137.09	157385.23	244304.83	247730.08	512933	349307.41	164420.19	358426.53	238221.14	253747.98
glucosamine	33468.95	17862.22	16394.89	23403.16	11732.27	27939.92	26383.37	33399.34	25605.07	52986.2	28585.41	26782.57	26508.03	30181.25	20753.56	21714	26965.87	12858.43	13350.94	19826.24	28448.98	21983.77	17198.57	26576.06	26678.35	21831.6	30133.48	20104.78	21950.37	24945.43	21443.98	17741.17	13572.22	16754.8	24188.51	21616.28	28757.65	8593.02	7217.83	10692.93	21241.46	29635.79	10005.89	16324.23	24214.88	12230.1
Glucose	10451597	9103905	9725675	5343099	8195324.5	6555134	10622577	10167045	3318544.25	3403048	8973495	10140393	8645314	10335585	3551579	5525501	10716996	8812085	7041291.5	9793133	9362791	11601131	10310334	10816697	9946199	10179483	9711167	8682832	5238329	7234250.5	11342653	7531901.5	7835615.5	11309345	7114877.5	9618151	13315120	4427359	5135146.5	8251765.5	8682197	3135877.25	6488074	11707813	8929615	6267360
Glucosyl (2E-6E-10x)-10-11-dihydroxy-2-6-farnesadienoate	340247.84	266806.03	289083.22	192615.83	52870.46	197531.45	222121.17	397897.59	135583.64	362548.66	123559.38	288069.97	142940.7	191978.23	244515.7	53052.08	71458.07	131318.83	122994.19	84419.16	206953.89	123516.63	175827.48	140661.38	145696.61	429742.34	918670	313171.88	165979.7	343374.59	193658.73	165386.31	277332.94	84894.4	73433.41	230252.3	126479.34	105813.22	93315.77	141660.38	6573.33	45783.64	8022.87	9199.64	17917.63	29752.46
Glutaconic acid	126523.82	124397.19	115670.38	43581.16	86009.12	224134	126531.75	123606.5	195881.61	306120.34	196447.33	164052.28	134489.45	249494.48	307166.72	120589.46	137219.06	108320.22	96466.69	37437.46	135719.61	116263.99	102811.77	124221.46	60295.61	115199.75	160817.11	182271.95	106925.6	88131.37	65770.43	104731.71	93891.23	113321.41	57288.04	147408.14	134969.67	87614.7	60167.37	156775.17	146056.75	131185.69	58891.77	158076.2	102863.06	76142.25
glutamate	321376.16	173127.55	220154.58	154988.58	147815.36	343672.75	224393.73	256360.77	275487.59	314837.66	227884.38	180156.67	175785.64	317519.97	266549.41	235097.31	266068.78	220699.58	229800.52	201078.48	317521.12	277148.81	249836.75	312860.5	261411.58	341073.59	300485.41	375532.03	342867.94	277934.66	316642.62	290707.59	351355.5	301199.03	185372.86	376430.66	391603.38	191624.42	110062.16	253227.08	235050.14	233556.12	169644.05	305452.22	255223.77	222608.62
glutamine	4017879.25	2889931.75	3404519	3532652.25	2789036.75	4682559.5	5888918.5	6528913.5	5270895.5	7077573.5	6493794	5782520	4877477.5	6119597.5	5888778.5	6795678.5	6069102	4159624	4647535.5	4337348	4911190	5040969.5	5364397.5	6233928.5	4804260.5	5205851.5	6330738	6526210.5	6384614	5305573.5	7198274.5	6288510	6307955.5	4568631.5	4693097.5	5654728	7764780.5	3214624	2677872	3584628.25	5711217.5	5410659	3333521	4738626.5	5776466.5	2890988
Glyceraldehyde-3-phosphate	13057.54	13448.78	11045.5	10250.32	11920.87	12385.65	12901.46	12762.73	11665.67	14570.36	11884.93	15101.94	12239.15	12608.22	15661.64	11417.37	12120.26	10161.44	11017.21	12817.47	13277.44	13304.58	13109.85	12243.75	12615.73	14073.93	9736.24	13837.53	15245.56	14591.43	12153.65	14820.53	14826.22	11564.58	8628.71	13749.31	13772.35	10999.64	7891.88	13235.4	11280.64	11770.34	11660.02	0	9947.79	7653.81
glycerate	177151.42	196339.45	220327.55	140838.19	162500.06	211379.61	216853.02	216117.2	205282.67	243816.2	173200.98	177777.33	170536.7	240803.17	249791.88	206603.17	178329.77	177480.83	208214.12	177010.2	141184.73	214804	202785.17	203914.83	181464.83	186284.58	185325.39	213419.45	216476.12	201561.64	193865.31	195761.55	179252.2	221814.92	170801.97	171535.39	995708.69	150553.33	96309.99	162663.34	164745.7	172873.2	119452.5	207176.64	178145.17	133075.06
Glycerol 3-phosphate	31584.65	31210.58	24700.72	16615.26	24777.73	69197.32	37571.43	39537.58	55396.64	58647.76	37903.44	28494.91	33552.36	51524.23	54772.74	48094.39	57722.82	43366.55	37782.09	20932.48	67468.74	39745.29	34877.94	59428.05	38197.81	56037.21	68957.32	89722.66	50096.2	45917.08	43705.49	43840.16	47045.28	54552.19	27234	58675.59	40756.33	40484.39	26829.13	60559.98	45408.05	37499.67	21999.17	64946	40733.65	32878.86
Glycerophosphoglycerol	121634.21	99692.02	132275.38	75905.59	106890.44	165072.27	142968	120044.77	164878.5	164021.78	132826.64	86397.24	96109.32	130806.44	165112.81	137483.81	283702.47	196343.5	214544.62	153687.64	144629.52	147267.33	269680.16	187134.73	176035.88	213153.27	191756.55	504696.53	185898.73	205795.98	198977.2	192896.02	329828.06	287531.75	96876.03	168178.94	171028.73	198876.33	57777.88	232258.58	147403.11	133565.88	85191.62	468120.5	135919.8	143175.31
Glycerylphosphorylethanolamine	38235.08	32044.69	24023.76	26628.98	28067.56	85576.7	45909.81	52695.14	60418.81	68260.72	41655.36	43127.45	44974	56280.36	70675.24	42604.29	45759.15	39440.59	49974.54	41357.4	63408.93	46700.97	57993.07	59619.8	43794.11	59826.97	100348.1	96051.76	59043.75	63365.49	63524.66	40943.97	77149.98	55750.25	28861.59	66653.23	74844.41	41114.7	14976.74	45682.02	37760.14	36254.86	22794.39	65890.06	49332.48	38557.36
glycine	315412.91	213020.14	287947.09	246349.8	192254.17	246080.8	296914.91	371130.84	360227.66	671448.25	375367	302750.91	272087.03	352736.59	387890.91	305003.97	336755.97	740416.81	337070.78	251007.95	242575.89	567316.81	333527.88	327138.56	268497.97	323684.75	992585.56	564984.06	314390.84	295933.44	497600.34	340310.38	351761.66	308338.88	255925	258408.3	405127.97	258887.19	201369.75	268348.25	234701.69	245588.92	144328.14	352277.91	262022.25	211144.75
Glycolic acid	251267.67	194638.73	227592.61	197155.25	131745.88	328866.78	259091.52	314632.12	234524.05	378113.53	282966.41	287070.47	191698.23	288575.38	245519.08	220331.56	291569.91	213859.55	251295	262982.28	240532.98	250616.08	222148.12	361060.28	290935.28	263291.91	370735.91	288791.22	365523.03	296181.59	291641	365386.66	314566.91	223935.36	272917.59	271875.53	595223	163358.11	155465.56	159674.52	279902.84	260987.38	153836.98	167998.08	215075.2	113773.56
Glyoxylic acid	48348.57	40537.09	41417.35	37706.89	34702.02	48124.15	49296.19	52001.59	46581.29	60383.18	47899.06	49977.56	42893.96	50740.15	50544.01	43425.91	50274.09	49186.39	45190.37	45179.86	45792.62	50864.32	47465.21	49374.18	49319.59	41948.69	58220.58	58006.62	55969.91	45097.61	55853.79	48836.78	50795.64	50759.58	41208.98	52488.39	59811.61	44242.62	33057.5	45116.08	43106.19	43474.54	29509.8	47777.91	44751.43	37101.65
Guanidoacetic acid	18245.8	13061.33	13018.1	12578.31	10256.58	22506.16	20045.42	22342.71	17640.89	24767.99	24879.27	25118.59	15858.11	22328.75	16621.14	9030.28	14814.49	15489.73	20108.92	19099.56	16243.61	19749.67	16254.17	19877.42	25096.94	24419.92	22143.56	14947.78	26922.49	26114.33	17402.42	18744.33	23314.42	20570.1	19901.74	22202.22	28222.9	15093.25	9153.97	10072.42	17295.07	17374.79	12481.79	17396.84	18586.76	10966.74
Guanosine	79022.38	39098.06	82155.2	42091.64	49119.24	4707.91	61659.57	85301.12	75546.27	107763.87	58249.82	67430.37	25055.08	68985.88	43189.97	90830.2	11984.3	26500.74	87824.91	31455.75	31288.7	18885.18	42987.08	67221.07	42519.66	48112.83	67995.86	33278.83	119372.79	47418.09	100513.52	65511.76	131776.39	36677.9	82435.62	37724.61	100367.01	12378.65	19037.28	46068.96	57474.98	66554.03	37379.83	27133.76	47231.19	16957.1
Hexanoyl Glycine	432911.22	529109.56	402111.34	270507.22	340850.03	242595.31	599132	336040.91	393931.34	467170.38	198401.33	305254.25	290425.78	391348.78	370210.91	100134.15	230524.62	247868.52	377261.12	635208.56	534239.44	634051.88	315181.34	208556.86	309409.12	363936	483487.22	203583.38	887455.44	495926.59	237412.75	121474.35	199890.95	204183.92	183037	380581.28	231133.83	396840.38	125917.23	355597.25	337401.91	183962.81	368772.75	584994.5	262352.72	305690.28
hippuric acid isomer	73475.68	49000.14	426901.97	408424.5	369519.91	652748.19	578832.44	802858.75	337217.84	914262.06	100627.75	73021.91	116816.15	90120	80722.87	71086.9	115099.09	61727.92	56483.5	82537.03	127526.6	75918.21	101472.31	55639.62	61594.82	67234.91	71378.12	61691.71	46384.97	82229.42	66332.59	90081.99	56097.82	54435.39	70976.76	67270.07	50125.68	81358.66	52397.42	42186.88	103136.41	55785.45	59123.05	77499.59	44355.11	42295.86
Hydroxycitric acid lactone	285054.97	104479.96	172882.67	140826.05	184733	133533.62	156614.42	180867.73	187587.73	146577.23	137501.86	89725.31	147991.62	108653.79	132637.17	257256.62	176327.83	127297.9	135492.53	164975.42	147880.09	87720.98	198351.8	185011.27	151332.56	246008.73	94574.46	212314.42	192027.88	135816.12	170063.94	155174.84	183415.75	223454.06	171143.75	150598.12	280293.31	233064.75	210579.38	276014.22	180736.7	188333.81	180136.39	190388.11	143149.08	161325.64
hydroxyisocaproic acid	901816.31	745881.69	947842.31	710026.69	721938.81	508805.5	689449.75	840100.69	832377	1330247.75	595979.75	647699.19	555603.81	628383.06	952089.69	1106186.75	3332558.25	1299884.75	1628800	666788.44	1052946.88	1701399.38	1546364.38	791114.31	688885.25	664294.25	867563.75	1399489.12	896257.56	774527.81	683504.5	1325654.38	1092474	1188723.25	809825.75	552535.31	749964.44	811901.19	1105773.5	1323640	1912338.5	1602709.88	744987.19	2143724	1686203	1625503.62
hydroxyphenylpyruvate	175890.52	356858.75	186564.8	137368.77	159397.06	463700.62	188548.14	180992.88	173483.67	134959.33	237604.77	359273.03	226732.7	111734.05	208589.38	65355.49	82118.18	126182.4	155949.58	102295.62	185193.33	317439.34	184988.89	183394.58	129558.43	80976.73	211873.48	109980.43	92531.16	212309.23	102971.53	118055.46	217817.44	136458.08	85118.75	183126.95	189116.48	56623.71	71816.68	90531.62	98582.93	77180.43	75516.76	216923.83	109865.65	61263.04
hydroxyproline	95041.47	84812.79	73324.88	71667.66	74525.68	95431.6	127817.74	134783.44	124294.81	163892.16	137176.7	123711.03	114663.75	127389.12	118276.34	99138.23	105483.73	92627.46	95225.27	70649.45	100706.91	112296.66	79853.27	142194.3	112206.69	111764.79	114523.31	124001.56	118872.29	81705.49	124344.04	97834.81	91172.71	93556.38	75806.99	93388.49	140160.64	61997.78	32668.51	63510.1	80658.04	84288.4	55763.73	73721.55	88694.9	35299.64
hydroxypyruvate	88556.2	50025.17	63313.27	69974.45	95004.43	57932.04	58317.62	98605.1	54083.7	33562.13	50344.39	48428.19	88409.35	47992.16	49766.09	98210.04	95883.54	47191.14	42771.07	63150.93	72502.12	52678.77	70438.04	73943.96	56146.39	115854.12	33273.09	108111.02	45066.06	19151.02	66561.81	74670.71	105617.76	87092.95	54247.54	65113.26	41949.65	59054.72	72215.65	102338.1	82447.73	44087.97	55770.84	104904.03	61736.94	72800.66
Hyodeoxycholic acid	254001.62	255010.2	439627.78	225480.95	108762.93	169379.02	405515.5	762457.94	211044.83	575076.25	508133.03	432286.34	520174.91	658094.19	545896.25	331092.62	889138.5	313006.66	679487.88	425596.84	706672.31	676590.69	1067871.88	369191.22	219023.62	331030.66	270136.5	314253.62	470191.34	455591.09	289449.41	457497.66	561099.94	374769.28	256147.42	339052.16	398268	260782.56	547307.56	335135.09	505498	839263.56	271494.34	761175.75	550039.88	707573.19
Imidazoleacetic acid ribotide isomer	16985.14	16091.1	15009.46	13459.88	14426.84	15008.36	16841.66	14229.16	18621.13	19208.12	14132.65	13312.71	13589.62	16297.98	16033.31	12842.61	16132	10854.92	15509.53	15646.45	11839.12	17225.52	16912.75	14806.71	15900.38	16350.96	15534.07	17635.19	20199.41	15454.66	17976.22	17411.64	18092.78	14991.97	13451.23	15085.62	20225.79	14382.07	9425.56	14612.97	14004.83	15619.07	11314.77	15568.44	15281.49	10597.95
Indole	87886.12	84598.75	103385.01	79072.24	71426.54	114087.07	135960.52	132762.67	116046.77	145721.48	129298	167529.09	97624.02	73782.9	101447.88	83048.93	67454.04	58049.51	72227.44	76949.06	97130.88	117752.12	104964.04	121665.75	93314.09	77248.05	99255.4	82137.3	102857.09	89649.62	76153.68	123959.15	156639.02	95008.91	84208.32	77832.69	102674.97	74787.13	56704.26	84444.18	88722.41	79063.87	51599.04	113850.59	92342.07	51742.27
Indole-3-acetic acid	305303.88	182915.8	222672.55	216459.27	175365.14	154559.88	234760.42	227964.88	203351.25	346684.59	218480.55	179173.7	194679.7	302870.53	208730.8	203487.56	370719.75	202503.31	335716.16	251680.2	175595.95	212476.52	297266.91	228130.42	365859.5	136689.89	198371.77	520455.78	339264.47	192601.11	377233	197392.39	256558.45	380685.03	350955.84	158714.25	607000.88	252950.02	148991.3	238545.95	449939.97	270414.72	125068.59	216174.8	138282.44	56877.59
Indole-3-acetylaldehyde	18985690	7386938	12766701	9416281	6812894.5	6040142	18013808	13529112	8441725	7518310.5	8567070	20852586	15402969	17908642	3952264.75	11465069	14322405	6030598.5	16164217	6114676.5	13100041	14357456	15380219	6472700	16059772	8073317.5	14230195	16479175	9227579	6827358.5	20313922	9228873	9843196	10410941	11260479	9559779	34979208	4548336.5	7716812	10124830	12476899	8258830.5	9122068	14760336	5629485.5	8479465
Indole-3-carboxilic acid-O-sulphate	114883.2	116890.16	81644.97	175796.42	99032.41	62197.36	83506.71	125344.52	70416.98	165702.92	160854.66	144606.97	40801.05	111991.91	96334.6	2481.56	3716.97	1130.69	5361.05	1963.84	5104.9	4195.88	5843.51	2937.66	1282.43	3781.53	2149.57	3454.66	2923.17	2840.4	3756.27	2987.54	8872.38	6092.96	1360.76	15958.17	21745.97	4512.6	15217.81	6621.73	2568.19	6625.98	1200.77	5024.36	4673.78	4060.23
Indole-3-carboxylic acid	482785.62	264008.19	556965.94	389040.34	321499.25	385931.84	701349	1069208.88	648748.69	920082.5	951461.5	899786.69	563840.31	640813	662432.12	527538.44	468574.66	303835.84	591690.56	404391.59	411198.47	749765.81	663803.5	896881.75	683447.5	319708.78	591017.31	518424.97	663366.06	680526.38	684525.38	844953.25	903721.56	545078.19	482975.91	315419.28	953192.25	334953.88	235040.23	487600	554664.75	394069.97	253803	569795.94	581760.69	228537.39
Indole-3-ethanol	28658.79	56026.96	21636.71	23745.67	31339.64	65998.12	38377.31	32979.34	32078.16	29947.07	36314.69	39567.29	23918.84	27944.01	23768.31	34832.55	28847.63	39915.46	45885.84	25460.8	45441.61	48369.86	28972.72	58626.74	56045.02	31481.79	72338.45	40618.32	31010.63	53734.12	35574.25	49505.19	42854.17	51827.69	32980.06	36412.78	23987.16	20361.76	7678.32	34396.6	28780.66	29125.82	6296.77	49189.71	21033.81	13108.81
Indole-3-propionic acid	813161.06	372347.91	870382.94	721506.81	577249.5	689693.06	1017713	1142788.5	937432.69	1308126.12	602582.5	704041.19	844512.81	966226	844203.81	628823.5	718977.94	511352.09	974414	955084.19	487389.09	473567.78	967969.19	309392.06	453640.62	477643.28	359581.59	984758.75	940384.5	573864.06	959148.31	362238.38	842559.81	1198810.5	812673.06	395234.28	1332643.12	512842.59	143647.2	555999.5	669060.31	518972.75	328686.03	925741.25	505984.72	242229.88
Indole-3-pyruvic acid	296891.72	104387.45	226550.08	105110.65	158123.92	156939.92	150324.05	329431.75	251640.3	221629.61	98111.91	155163.38	127027.93	141830.41	118947.62	387181.72	410487.16	198612.42	96174.18	85367.74	123788.23	90491.7	123264.6	95446.95	98067.9	133494.33	59525.18	238199.98	115206.94	138967.45	85985.05	224623.33	317586.38	215187.31	80022.28	76040.62	78043.24	174997.64	152803.2	361784.59	256764.77	119994.41	75770.63	255894.17	119306.94	54432.55
Indole-5_6-quinone	4102638.75	246048.55	103277.46	123919.16	83436.84	156385.83	238435.5	117966.56	82594.73	849514.5	461791.25	232262.58	186564.52	109211.51	115377.84	69727.04	130052.13	235360.67	144318.31	112767.27	1082688	431283.88	226857.8	279691	231651.02	226431.86	344504.5	114812.02	97470.95	266012.28	143543	372019.59	138098.69	112264.2	161744.94	366849.28	205145.92	839941.69	74418.94	64212.12	88413.62	101642.41	48605.18	116666.78	145859.52	148525.58
Indoleacetic acid	125848.91	59246.32	132045.3	82206.75	73671.6	121707.34	147261.64	226574.12	162215.12	226343.48	183571.3	212180.75	130579.97	110503.62	128299.09	105810.23	95714.18	56439.64	105800.91	96960.23	111120.28	138084.03	126761.48	136501.89	114293.79	71005.95	75718.38	93617.57	176499.56	134977.42	126961.6	171123.17	215826.58	83695.6	91810.96	67721.52	125949.6	85067.91	74974.09	91141.35	113312.48	105546.85	67426.62	155371.95	114295.34	51449.24
Indolelactic acid	946443.81	228530.48	970241.56	753571.19	617424.5	340061.66	894024.44	1051281.75	672689.88	1458791.12	480313.12	429139.84	382813.97	732126.19	602833.94	1363679.38	1013473.81	461369.72	621385.81	424997.22	316363.75	240237.33	516372.66	168289.27	299206.75	358733.66	134830.89	1389369.88	431179.84	323620.03	490941.38	374075.84	392063.41	866562.25	593676.44	119572.54	694934.81	505836.75	198442.05	907359.25	1081364.62	335868.25	194586.11	825303.44	308997.5	262408.59
Indoxyl sulfate	12803045	270984.47	11387841	8718285	5564176.5	367029.47	10969908	7253291.5	4407278.5	7440540.5	7658091.5	9449963	9145491	13638940	5816437.5	10810273	11149775	3070181.75	6339574	3058512	616162.44	295226	11778607	79476.77	751409.31	4150810	146745.3	8145434.5	9429684	375991.28	8365216	367505.78	5623356.5	5038980	6947127.5	131689.77	11021380	6302368.5	6581732	5717293.5	5401480	5599884	6765704	3550415.75	4878669	2845482.25
inosine	2399302	2004989.12	2815135.25	1670804.88	1616666.88	776620	2002349.62	1976692.62	2239443.25	2980872.75	1175876.38	1672231.5	755027.81	1830518.12	1319815.12	1974983.38	370329.03	806219.81	1731969.88	790539.31	862442.31	540541.06	1149282	1764640.88	1063260.62	1426099.12	2142624.5	1160041.12	2742210.25	1441926.38	2021715.38	1794878.38	2465874.25	1111165.38	3057988.75	1388328.25	2024678.12	305792.72	385590.38	998153	1887988.62	1649394	872884.69	996267.31	1604150.62	657991.31
inositol	10420395	9074450	9697027	5313135	8165340.5	6528870	10584761	10132537	3306987	4809471.5	8939283	10109219	8610350	10298928	3539314.75	5506112.5	10682780	8779492	7018826.5	9761443	9334091	11565277	10275119	10782987	9910827	10149148	9677808	8659979	5221234.5	7213396	11307621	7513542.5	7819254	11275251	7081517.5	9587297	13285596	4410006	5107552.5	8217642.5	8652875	3130569.25	6459654.5	11677656	8899151	6235540
Inositol cyclic phosphate	14825.9	11811.39	13120.59	15162.82	11476.41	16062.16	15055.22	17789.62	15619.71	15421.5	15452.13	15059.81	14216.18	13083.9	12060.74	17554.93	15944.74	16100.68	14620.64	14646.67	14353.29	13844.21	15001.14	16136.3	16499.42	15599.42	18131.27	13711.63	13337.91	15040.05	15393.91	15218.63	15653.4	11952.88	13333.06	14464.44	13313.11	9998.99	12938.79	12111.39	17125.72	15411.12	13597	12024.75	14769.77	12203
Isethionate	198254.56	248544.73	204039.5	220747.67	198509.8	277480.81	199634.7	206820.05	154344.95	160121.22	153410.94	156445.33	234161.92	207844.83	288903.09	237006.23	167369	309988.47	287919.38	258980.17	269653.38	236473.7	214630.19	219188.36	226993.2	266683.53	507801.84	247825.92	247878.98	297553.31	281274.5	237667.31	276035.34	241931.75	335384.91	263454.84	214771.8	381258.84	181857.14	291562.09	243510.23	202592.2	395478.5	308375.5	237574.5	208784
Isovalerylglycine	113644.28	99350.69	122114.9	106651.38	81959.97	91383.99	97501.23	109332.79	64694.79	83456.65	83074.7	104339.98	100442.63	109492.52	82639.09	76283.82	96755.06	100151.78	87186.73	75553.36	87690.26	98683.31	97840.4	100015.9	101587.98	86245.66	91804.48	82869.77	90096.47	63143.39	74298.71	51822.3	78930.13	85996.16	78384.61	71125.32	81259.74	59578.97	83179.96	96701.1	79058.43	88623.75	81731.53	98769.73	64231.32	99424.27
Jasmonic Acid isomer	220657.58	236209.42	196186.38	206554.69	63270.91	205261.83	308834.75	241070.2	211495.7	179105.36	165508.89	299766.25	237143.48	220596	181792.75	110013.57	97329.41	106430.45	123187.54	129803.18	126021.8	209816.58	158686.83	145918.27	128301.93	148921.44	244226.17	0	276691.03	242330.2	111593.54	133440.58	104681.31	105798.41	138336.95	166414.94	172058.45	68693.93	63592.59	141468.27	223237.45	152619.41	142089.33	191803.94	107202.74	138507.05
Kynurenic acid	60893.78	76251.72	70210.25	63917.2	51216.71	96313.23	95055.9	109908.38	74463.55	115758.76	94280.2	133285.92	83764.8	71812.47	67284.82	64556.19	68132.62	62080.75	57756.7	61890.32	89736.35	87166.65	87686.73	96504.38	71843.06	59581.09	92594.01	55619.59	86580.87	76971.79	80663.72	93053.94	117556.57	78682.34	74236.51	80292.34	90651.04	70197.25	44464.86	48764.17	68868.72	77734.05	37299.87	88774.16	57067.44	35863.39
lactate	15992240	5518401.5	8358064.5	5195251.5	2994648.25	3830781.25	17127296	11261825	2133475.75	3735130.75	15776840	14380333	13726151	17921942	3264194.75	5133487.5	8501205	3204162.25	10359017	13037500	18404942	17076716	19766576	16010677	16813182	15948263	10535431	8333468.5	3371472.75	4820965.5	20424894	3324560.25	18870016	7211264.5	11952067	16921866	30117894	2677051	3231957	6433661.5	17692184	2286917.75	7931790.5	21016224	13689961	2286772.75
Laurate	5960745.5	5152882.5	4180553.25	5354756.5	4386876.5	2438935.25	9145529	7736733.5	5335948	4266726.5	5997451.5	7011155.5	6034062	7286668	5595628.5	8325006	8856227	12738581	10642173	6813031.5	8142012	8216449.5	7098175.5	7983216.5	10785857	11529269	10674845	9049897	12787339	11678888	11101643	6871397.5	6947702	7256702.5	10563837	15151845	18731614	6029141.5	4121944.75	5605516	8111604	12104224	5071329.5	5947314.5	7474512.5	6475573.5
leucine	1176701.12	1052478.25	1425833.38	1177524.38	693773.56	2385876.75	1771528.88	2199766.75	2043999.12	2439042.75	2570573.25	2039088.5	1402567.5	1773660.38	2328053.25	1678648.12	1591582.38	1057477.38	1275938	1424301	1421139.5	1466383.5	2197787.75	1814253.62	1701524	1351154.25	1705741.88	2159067.75	1836496.62	1487108.5	1936859	1915634	2715383	1640480.38	1363953.38	1523991.38	2552316.25	1462858.88	821807.81	1134823.5	1503687.88	1400640.38	738165.69	1750891.38	1545152.38	834265.19
L-Fucose	1392166.38	968403	1366597.38	1164046.5	1240708	1833199.88	1119202.12	1752406.12	1861905.5	1495911.38	1365565	1218450.88	1689490.38	1894979.38	2037315.38	4769305.5	4995098.5	4548445.5	4108834.75	3373603.25	3938670.25	4864124.5	4504696.5	4729388	4541417.5	4351271.5	4757949	5406918.5	4143812	4209641.5	4309645.5	5261863.5	4632570.5	6664357.5	4380698	4152438	5874362.5	3265287.75	1946337.12	4862037.5	4036347	4152686.75	2781796.25	5054926	4481456.5	3405359.75
Lithocholic acid	26899.89	6320.14	54096.57	40190.2	12715.31	6775.86	46677.88	62397.71	8240.25	6489.37	83230.49	55704.19	48516.48	48907.92	12396.93	16964.59	32345.21	6743.14	32744.07	32072.63	55462.66	71228.16	50296.3	34869.48	14157.53	29509.81	13220.16	23311.18	59248.2	39115.42	60384.43	48894.34	94733.81	18987.63	23611.98	52859.98	36782.14	76630.48	33382.7	30746.78	81290.54	209391.52	73751.68	93339.7	56047.26	10542.27
L-Menthyl acetoacetate isomer	1731153.38	1787999.88	827117.81	886841.94	1362399.38	605960.56	2352451.25	699594.56	1272594.75	1011705	309568.62	654526.12	1529087.62	2111175.5	1274764.5	841720.44	1307621.62	1051287.38	594927.19	2127836.5	1327502.12	2337410.75	1483910.88	677934.94	1958552.62	2868030.25	1283036	1163968.88	3312629.25	3144444	1207120.38	229427.83	332817.75	1824163	931108	2465022.75	1362663.88	1453881.62	768061.75	2224671	3542294.75	943575.69	2470048.25	3140616.75	920454.44	2383296.25
LPC(14:1) isomer	13078.88	22967.59	20846.06	22606.21	14377.53	19655.91	19454.95	22578.62	21146.45	27875.29	30567.72	24747.63	19605.6	34722.68	22191.33	17752.31	20172.59	21282.26	27137.48	22978.3	13659.61	22510.27	24842.31	17145.08	32575.69	17063.12	24369.68	21899.33	33442.78	29944.95	19778.12	26410.13	17152.03	19579.43	17020.22	18005.46	64027.25	18550.34	18132.34	26279.65	16546.64	9240.31	10847.5	16705.87	21071.12	14190.04
L-Threonic acid	202633.17	181456.62	173805.5	152434.89	144838.64	358439.16	309083.28	298411.03	287574.78	421769.28	331544.59	311016	314246.78	413297.47	429058.16	120651.52	199297	275254.88	339953.53	248691.92	334367.78	457505.41	396850.5	594216.69	381590.28	285884.12	536676.06	455848.38	494221.25	401255.25	423285.09	281017.41	311056.03	305755.62	245966.42	534633.62	1218447.25	286162.16	92122.52	242801.25	255478.75	286961.75	156070.64	570471.56	378681.41	231839.05
lysine	203468.38	148339.31	177992.95	193753.38	132785.19	352248.62	275479.16	406590.5	293378.84	425525.16	373908.34	325243.88	224867.2	299293.88	327521.25	602264.81	496472.88	323152.72	401274.03	342502.09	343798.28	295257.72	470941.91	565938.12	382591.97	498054.38	343374.28	734869.44	445390.41	417870.5	543930.44	466625.22	655776.06	428169.66	349978.91	389568.03	586582.69	390692.66	161186.36	232124.44	313399.03	349669.72	174415.81	349087.09	309064.81	156942.67
LysoPC(14:1)	227712.48	229334.2	239737.73	247125.31	278251.66	215097.31	243246.33	299982.16	271248.84	185947.14	237539.05	257871.69	271935.59	236459.23	256587.38	294949.66	262320.66	269555.34	218564.55	248771.8	257388.88	260347.95	275607.25	259435.3	278713.94	257647.45	253626.83	283322.16	261061.12	248660.67	265349.47	237948.56	223359.52	292797.88	273996.22	267328.09	244670.88	271448.03	246460.58	284723.53	229527.5	259685.48	225576.38	308710.62	249741.83	244654.95
LysoPE(20:1)	2291780.25	2523277.75	2113883.75	1853449.38	1969567.62	828085	3095975.75	1565353	990761.5	688811.56	2696081.75	2958330.25	2609193	3054216	1748418.62	3035990	4401434	3906922.75	5049426.5	3976273.25	4288993.5	4490181.5	5022042	4747708.5	4212958.5	4295874	3664554.75	4130483.75	4587702.5	1475111.5	4573687.5	5407646	5590210.5	4679860	3378026	3658382.75	3536945.25	920345.81	1956130.38	2907919.25	4279318.5	4028968	2324337.75	3843370	2146222.25	2450363.25
lysoPE(20:2)	7038369.5	6584802.5	7312230.5	6620523.5	6754650	7567171.5	9618483	10659960	10129003	11207400	8170368	9673344	8591956	9363335	7947773.5	7289110	8596697	6936910	7334744.5	6866511.5	7825650	7776348	8642947	7299688.5	7490873.5	8273501.5	6548904	8961957	8059866.5	8797874	8849445	8856961	6737982	9058103	6578518.5	6324191.5	7678602	4399292.5	3596438	5461845.5	7554737.5	7533584.5	4392473.5	7737616.5	6955157.5	5006688
LysoPE(20:3)	151348.36	179989.31	167576.89	155687.05	139748.7	173893.48	204926.75	226459.7	232332.42	209323.11	180959.62	249261.94	210440.73	211651.62	128236.29	176473.62	277493.22	183350.94	245115.55	154180.62	180926.89	164536.2	221038.23	227687.98	193124.89	236524.2	223031.98	151463.92	196504.7	300099.28	237450.77	282178.53	250871.55	262176.34	238188.31	159463.88	230726	62055.75	91854.65	143048.67	223770.19	188052.38	75745.46	192444.7	203969.45	73296.03
LysoPE(22:4)	1569618.38	1408214.38	1586349.5	1432752.5	1424545.12	1402211.88	2017599.38	2311400	2391815	1168443.38	1654046	2121222.75	1931106.62	1933953.5	1181256.38	2212420.25	3195893	3896706.25	4054671.25	4044320	4177802	4058870.75	3975360.75	4664608.5	4872916	4091160	4042550	3328510.25	4797140	4993194	4710655.5	4208252.5	4482344	4419184	2760548.75	3687873.25	4249701.5	2356285.75	2156143.25	2522831.5	3016907.25	3744407.25	2278015.25	3156333.75	3724476.75	2382467.25
LysoPG(18:0)	6918.45	3042.27	6735.37	10114.6	28216.36	12897.8	7174.68	5807.84	10195.58	2573.42	4666.91	0	6860.24	9444.91	7473.79	18319.81	44768.87	23341.05	28059.38	24041.78	18056.16	17396.86	133436.81	91119.15	39053.76	107126.18	37420.11	94921.16	11625.98	124460.56	64254.5	169821.8	151918.8	72929.59	70072.41	17631.74	26257.1	124365.6	68789.48	202785.31	71238.34	88041.15	64031.67	324132.62	159433.92	80040.47
LysoPI(20:4)	348707.78	412501.88	398827.34	338842.22	403164.41	330820.69	543173.81	654621.31	627930.56	569467.06	381775.28	487728.75	509605.66	595463.88	294751.06	341937.09	686635.75	474055.28	511042.03	673592.25	659229.19	598421.5	559016.38	620604	571977.69	590900.88	594522.94	362404.97	669317.69	521562.84	506785.16	588429.75	505668.16	710666.81	393744.09	536977.81	524017.5	107402.09	233521.62	468388.97	489351.41	632390.31	349692.09	606652.5	595528.69	398010.72
lysoPS(22:0)	157222.42	274891.94	217321.92	185158.06	141007.33	231767.19	292574.09	255107.05	266334.38	446818.34	456603.84	337727.16	217983.12	359710.5	322604.16	212696.36	430427.91	457779.53	774794.31	495063.25	299426.47	491277	667503.81	444958.84	552618.75	443004.5	543202.81	507114.34	698624.69	645413.75	480154.47	782103.75	792889	442987.25	342354.94	435218.5	1220584.5	285140.5	244074.36	320575.72	479760	387902.72	230636.8	418126.03	462106.5	217804.73
malate	548679.94	612714	631301.31	328793.78	424864.62	277767.22	466192.72	428264.88	474190.09	1143093.62	574335.06	607895.5	346911.25	611504.56	550400.81	369816.84	492010.41	249357.45	337909.72	219679.27	283688	382317.59	485365.53	277925.56	239685.61	250976.75	256848.05	295628.75	272479.78	309170.88	195344.25	284161.84	321761.75	222691.12	150946.56	258460.33	336534.59	304659	252755	344339.53	481866.97	292455.28	168746.44	445270.66	265806.53	309269.88
Mandelic acid	279079.81	290731.16	334164.62	230723.05	150031.81	180187.44	268291.38	177766.88	147102.44	232242.45	201343.88	219544.98	106119.94	148423.36	196655.64	128684.31	159637.81	205336.3	810854.31	323931.31	159963.75	174486.73	163752.02	204220.8	206189.81	123317.12	235644.7	223368.5	125273.01	147470.75	121348.53	141433.86	133199.33	144978.3	330446.91	167231.98	519674.91	106006.79	150490.42	168030.08	97783.44	118560.32	110926.44	95108.69	86837.52	129522.76
methionine	297597.47	227413.88	275855.88	240171.98	203990.75	361751.28	364280.47	476966.25	544608.62	628439.31	544519.81	415862.16	343388.66	377810.28	435450	472310.78	454938.66	285590.47	372906.91	231698.88	370081.91	261918.08	501464.09	405227.59	300293.84	423577.78	240442.67	764659.81	374754.78	377860.75	552101.38	602425.94	825881.19	457104.34	233775.38	321654.25	654561.75	287106	178161.02	257130.5	228727.7	289242.72	116155.16	427958.59	306030.78	137109
Methyl equol sulfate	640979.25	880089.69	672487.19	550203.81	293129.72	336228.53	474495.03	462419.78	682013.5	1028903.19	1243521.5	1064915.75	595956.19	1166117.25	1529740.38	241.2	0	1772.13	0	0	0	235.6	0	0	0	0	0	0	0	0	0	881.93	877.8	0	0	0	0	0	0	0	0	1123.87	0	0	0	0
Methyl farnesoate isomer	1014667.56	994841.31	632475.81	1000013	646771.19	533981.12	1675116.38	1935782.38	1266329.12	575847	878074.25	1640555.12	1038487.69	1650131.88	1287988.62	1305875.38	1457798.5	2154424.75	1380284.88	1214778.38	1216035.38	1649411.12	821227	1480029.12	2266469.5	2456700.25	1989945	1821082.38	2309944.5	2294274.75	2117181.75	1153622.75	1088670.38	1869704.38	1842321	3159622.75	2451973.75	1595058.62	368476.28	1372061.12	1958798.38	1913761.38	991530.56	1432616.12	1326991.75	971644.81
Methylsuccinic acid	547564.94	492041.34	521083.97	397602.09	422146.59	537759.44	558990.75	521187.25	569726.44	700364.19	459874.66	531969	454189.66	539851.12	576410.56	481364.41	539290.69	476999	545425.69	508915.97	478119.97	605040.31	560712.25	561193.56	515406.72	537501.31	541932.31	625020.06	666149.44	544363.06	599634.06	627207	644160.81	563625.94	385370.12	487546.22	684384	471627.75	287187.66	449452.16	485647.91	524548.94	359664.09	634720.19	488616.91	344741
Myristoleic acid C14:1	5182412	4483175	2564816	4086523.25	2609714	2126392.25	10066293	10841835	5733898	2913897	2998235.75	6444617.5	5367462	8680747	4931717.5	12113029	13342685	18835454	14721088	9100595	12215565	12132737	7448681.5	12695408	21533362	19724210	15581565	11653456	26195282	20099264	18700978	7777149.5	7844259.5	9648349	15983636	28469230	22353990	8511707	3552419	6848860	15656085	17866662	6709312	7783578.5	9859056	8857603
N-(1-Deoxy-1-fructosyl)threonine	2986.33	5427.15	2355.72	1814.47	637.06	1739.23	12340.86	4793.33	6487.78	33501.52	10732.87	3128.45	2246.63	3265.58	3755.9	1755.27	6496.41	6371.56	2585.94	5108.49	3597.47	21035.91	3061.32	54470.6	123460.09	9292.12	32402.49	2370.21	16144.89	3059.15	4456.24	5537.5	16735.9	21039.26	4289.21	5710.64	14915.44	10007.04	601.82	2078.33	2657.86	23219.8	5391.79	41405.07	31596.65	1904.58
N-Acetylasparagine	13463.76	16722.69	14994.32	12070	10461.54	19995.04	18337.69	16438	14512.18	36019.97	26024.33	18642.54	14896.5	19042.68	21679.5	11316.77	11713.85	15760.77	18173.15	11227.8	14457.73	22577.29	14799.78	22697.2	41889.5	13868.72	29192.75	17264.35	16315.6	16084.07	17238.44	20331.71	12168.92	12809.94	13190.87	19517.83	86614.28	9960.42	5272.4	11883.27	9200.86	22411.39	7382.1	11575.11	14784.05	8668.33
N-acetyl-aspartate	549439.19	283323.53	382526.59	271692.84	337640.5	467589.38	540718.81	661813.81	575936.69	608888.69	496555.59	316780.66	422244.88	584682	576939.44	665132.44	646521.06	438519.72	421499.72	306091.09	565447.44	653134.44	582603.12	879933.5	561051	616489.06	706209.94	1172319.5	626839.56	583126.25	563171.69	774280.75	678255.81	747797	445609.84	735272.75	1181608.62	451798.66	231485.2	594100.25	508722.91	462182.41	321130.53	691315.25	545304.75	427579.62
N-acetyl-citrulline isomer	8945.54	13689.89	13561.59	9077.56	10496.18	17687.92	13688.68	20727.1	11552.71	19337.5	11638.49	17333.64	13968.43	11653.44	17699.27	11884.97	10956.32	6631.99	6799.61	7445.26	7802.75	9703.21	9815.65	16998.33	8294.73	10930.71	8257.38	8522.77	11582.07	8768.25	12607.09	12816.56	11991.85	7321.67	8034.1	11926.52	13527.44	6046.8	2940.29	5795.45	7354.1	8143.21	4700.7	8538.17	9419.71	4517.08
N-Acetyl-D-fucosamine	35377.14	27819.2	33252.77	24546.53	24734.22	37446.45	28422.04	51741.62	50627.11	31183.96	21283.05	22129.52	20574.73	47358.56	99302.98	11239.18	19233.84	13196.92	13639.54	8137.6	9213.2	15317.38	15038.69	24241.37	24460.06	27489.52	31233.66	36269.37	35315.61	27280.15	25964.76	28955.45	20590.6	24448.98	11806.53	27448.73	24571.72	20032.25	4277.08	12298.35	11484.45	17258.03	6023.29	23135.19	12021.76	8844.65
N-Acetylglucosamine 6-sulfate	47841.78	38183.26	39134.8	28866.07	36640.39	48345.29	41480.08	42183.02	20708.56	47819.64	36289.86	27022.5	44922.2	60141.89	55833.25	42476.79	36005.73	54451.39	46646.14	40012.53	60340.09	56747.96	46462.89	49225.44	39578.05	61086.24	67192.92	55113.85	56593.04	38434.19	48059.64	42506.72	38268.22	54394.76	47135.38	52732.49	46210.03	43428.84	20151.15	62036.95	49111.73	50531.37	35970.29	56110.2	51346.5	37261.11
N-acetyl-glucosamine-6-Phosphate	11842.89	4136.05	8086.64	6066.67	6092.15	15651.76	11363.98	11524.56	11613.45	14117.56	9993.84	7149.09	8781.69	16470.49	13732.16	14046.86	11683.02	7926.1	8608.8	8193.47	23310.22	15529.84	10631.13	20264.99	12316.93	19725.19	15664.37	22390.3	23386.62	15105.12	17465.7	11840.03	20036.66	15145.27	6591.52	27313.42	28564.55	15055.78	7320.37	16421.97	14647.81	12311.59	10907.88	22780.11	14707.42	12545.48
N-acetyl-glutamate	55469.38	55196.36	72254.73	40529.21	55106.39	92329.81	78087.15	63597.43	80729.06	97113.04	79191.82	72564.59	54057.47	70732.25	84857.23	71853.83	80622.48	59147.98	97516.41	44929.11	37967.51	68608.75	108444.44	65602.09	44892.41	52059.3	64453.62	85670.88	52122.09	107716.81	40586.98	99299.15	94459.96	67495.51	36750.2	54564.98	67143.38	67958.88	30868.95	68913.37	53131.62	35684.42	29211.5	92127.4	57024.74	48452.47
N-acetyl-glutamine	61705.55	66248.79	78625.56	51671.32	55001.02	85199.59	87200.88	68812.93	74216.38	90922.88	70883.65	61334.71	55098.47	90295.98	104078.62	56896.57	53917.41	52546.84	61808.3	42828.89	46863.17	65921.17	47873.82	65324.55	59363.73	45436.28	65907.09	86885.84	55030.66	38315.78	51844.89	57147.23	39453.84	55528.49	46207.28	40519.64	72757.83	41309.71	21280.19	64277.88	52983.33	47917.71	33877.29	60513.2	50829.18	32844.13
N-acetyl-L-2-aminoadipate	14166.51	10493.66	14562.88	12946.9	7079.94	23403.16	10228.81	15665.51	14835.88	18435.07	11371.42	12452.19	8954.44	11322.9	19152.94	22483.13	35571.94	25727.52	30570.09	35357.6	24757.45	42226.16	48730.02	35082.05	32028.15	37716.54	51612.45	29078.17	58939.74	42722.95	40296.45	47329.21	37371.68	30836.94	78435.2	38065.38	45180.47	54301.38	12912.73	13603.26	34332.09	32120.7	22863.4	25639.78	24391.04	18416.29
N-Acetyl-L-alanine	96212.52	79617.87	90983.34	46217.46	82816.38	97770.41	68621.78	77764.93	93593.5	97279.69	55790.89	51811.5	60245.7	101210.7	114745.16	73838.28	111990.5	91106.59	80909.69	65080.73	72598.38	93047.9	80103.1	89698.77	84340.82	93875.81	90660.2	139051.11	88831	82969.12	81175.23	81160.68	62751.63	126928.75	81912.7	70886.7	94172.02	52424.93	29966.63	118604.95	74330.96	64393.46	39616.33	99088.04	62322.43	55669.66
N-Acetyl-L-glutamine isomer	62709.5	68327.73	92459.35	56047.8	86055.57	100365.35	97771.79	81756.17	93181.19	103802.03	68930.52	64975.11	62452.72	101418.95	114218.69	74887.78	68238.15	60705.95	53036	44892.49	63499.74	67788.74	57161.05	79619.88	54958.95	55883.88	54829.76	71408.28	60948.04	37560.8	63069.67	66978.38	56865.63	70837.1	49660.61	49898.73	48741.39	46368.07	22034.3	79581.98	61458	63710.69	38723.61	71967.85	58646.96	39350.16
N-Acetyl-L-methionine	275285.19	245577.39	306374.28	211452.12	210127.73	86359.66	263581.28	136271.05	92243.7	245014.58	266178.25	261349.12	225054.95	231067.94	192627.23	94428.48	193708.55	214362.33	226446.92	174455.92	199633.55	184066.31	209193.12	245215.3	230438.75	283314.12	149043.72	360578.53	170630.42	58632.52	284118.69	187127.3	348497.47	226030.42	129800.38	203363.58	209315.81	92123.71	137149.12	251630.38	230595.23	150178.33	124951.15	288601.84	145964.52	142779.7
N-acetyl-phe	814623.5	670787.19	912387.75	652068.06	729436.31	1258215.88	1316980.88	1004871.44	1099634.38	1206380.88	830285.19	913181.69	834744.75	797231.56	921406.19	431278.22	340999	419298.91	430388.88	457180.91	652515.5	694620.69	736676.69	448763.12	522164	431887.84	393517.59	624498.81	617113.06	419952.34	636187.69	568857	725869.25	554679.31	324451.34	453025.41	371715.03	616866.12	330611.91	737135.56	557969.44	341371.28	374768.09	790585.81	543978.56	297553.81
N-Acetylproline	28003.29	19379.84	25010.9	20492.87	9777.16	13787.64	22390.2	10498.86	12442.57	13145.09	12719.85	23168.48	25226.54	20478.65	10065.16	3994.41	16486.23	10484.11	13729.3	16942.72	13403.43	20715.27	21393.95	16865.43	18240.84	14122.7	20522.72	18920.78	14056.64	12236.64	8773.74	10129.28	18006.76	10785.77	13229.9	16057.38	11758.46	24078.08	13106.75	29160.2	26270.91	16743.09	18983.53	28761.49	18206.92	26880.93
N-acetyl-trp	89915.18	70967.59	94516.34	76499.26	61090.41	83055.43	139413.92	106555.62	85756.89	141524.36	105965.51	106147.46	102473.79	93472.9	75092.99	60808.83	48493.64	33995.23	60654.2	76892.3	65332.68	70229.87	89453.07	75049.01	69821.49	42910.36	58046.2	55775.26	92129.16	48767.04	55116.77	61054.14	82598.12	41223.93	46939.52	47421.91	61363.12	65981.32	65909.52	64626.62	82074.04	49615.78	71933.88	69532.94	58881.61	53687.57
N-butyrylglycine	93039.65	111406.66	106409.62	78439.91	85369.66	39743.79	85183.59	114964.73	65612.91	74233.73	56876.23	86111.58	85004.01	118281.02	76600.65	61176.17	87914.77	71150.84	94992.4	109651.91	66068.48	121670.41	95237.27	71269.45	87459.48	63664.48	110306.54	68163.84	135671.64	67199.09	50362.01	42105.37	64454.8	70844.4	85925.2	81618.48	113473.88	76948.68	58832.04	103281.45	103051.37	86184.82	85590.84	148427.91	62574.97	136724.58
Neocnidilide isomer	49106.57	99216.46	33338.31	38362.73	28966.8	38017.5	44743.86	25982.65	35546.52	55838.11	48265.39	37424.16	23594.05	38243.25	28223.23	118355.53	78676.67	82417.66	107916.99	144033.17	83297.41	188808.61	158933.67	124006	87606.97	147132.98	154377.08	107282.77	193087.75	155653.8	40930.33	43153.39	44964.91	95491.15	69175.77	108886.07	158926.45	78226.14	59441.77	80787.91	103211.91	71749.38	115749.29	148383.58	60831.98	51418.62
N-Ethyl-4-methylbenzenesulfonamide isomer	13559.72	10246.86	10366.92	4566.32	8461.77	4011.39	9946.74	7289.41	12963.32	6155.31	30883.65	8628.29	12016.29	29479.67	15709.09	68139.4	62801.85	43430.95	28046.01	29274.85	62492.94	48981.36	143810.48	44975.97	58963.22	90134.12	42596.98	250088.86	95105.13	116187	226448.42	327450.25	510525.59	196522.52	65096.5	85106.77	119919.09	76940	86340.97	135184.38	109282.32	47165.75	15062.08	257854.19	124961.49	28814.37
N-Formyl-L-methionine	86241.66	91219.22	102661.09	69598.58	52021.47	24519.17	78599.09	80535.12	40023.71	36421.96	61919.36	63260.82	66161.87	73326.66	48287.12	51837.3	72469.05	50350.15	69822.09	83896.86	59182.38	72683.65	51283.07	98112.15	69777.24	78152.38	105179.98	77534.53	53632.18	21872.26	55508.89	53869.08	52821.05	49042.61	54211.77	52153.62	46701.66	33454.96	44489.69	69324.9	83692.43	78127.46	75653.33	102418.38	68217.91	59662.47
N-Heptanoylglycine	210979.19	211562.94	239205.61	112173.2	111916.04	58042.65	227090.12	122901.52	129419.27	218782.48	85774.05	137197.17	148674.77	153452.98	171281.72	45402.69	63986.69	63698.88	91196.16	115854.02	153032.61	188710.31	91416.9	49629.14	90105.46	121049.09	145502.58	78007.31	193124.31	118495.82	90648.38	51854.56	73130.47	70999.12	54940.11	85019.84	66097.22	77639.9	56933.12	135234.02	175013.89	83654.98	98030.7	217205.67	88843.54	144711.61
N-Octanoylglycine	333957.34	275785.97	358226.66	243613.67	257250.45	151633.88	464437.84	328318.66	330051.62	465443.59	188048.62	284109.09	255818.48	317092.84	308186.97	537042.69	489449.72	400145	356202.09	439349.84	504984.28	630556.5	518098.5	565204.5	424027.41	524040.5	594604.5	513424.91	589884	509424.22	722783.44	477593.59	405586.03	356690.09	298326	426068.88	300185.84	303906.91	214579.39	305646	476172.84	437372.75	331610.38	637502.69	365109.5	243971.02
Octadecanedioic acid	571052.75	380929.5	477585.5	1081639	622824.81	753647.81	2875588	798616.5	800681	1208499.38	2955848.25	1073689.75	517587.03	653493.44	854963	777991.25	764110	2282245.75	952681.19	743369.25	523770.66	1320663.38	1338155.12	1862131	738306.06	903462.44	826721	1014293.44	1637895	1329488.5	1497013.12	1222407.12	1316088	1107929.25	1197125.62	1793188.38	1978107.62	1239315.25	740986.5	1300400.88	799906	934295.06	1217847.75	829372.81	526548.44	458679.84
orotate	19720.13	23271.3	24903.1	13085.45	22029.54	31001.65	17920.08	21472.33	24135.22	29259.3	14593.28	18003.19	20043.46	28387.1	35754.87	80045.49	29068.08	27164.62	29071.86	19358.88	23172.01	22780.04	29477.09	25480.16	20315.12	27743.36	27185.71	38904.52	26465.19	28822.26	22862.26	29437.96	25635.18	38863.02	21941.76	21774.95	57432.32	15556.01	10374.53	39498.14	18959.98	19793.11	10266.95	24772.59	19856.16	24234.97
PA(20:4/16:0)	16143.22	22332.73	18530.17	19474.9	24659.4	22534.46	25025.8	25310.36	27367	19950.54	22166.14	24596.31	25207.09	19474.73	23085.64	28286.14	34074.71	27170.11	30835.51	33722.47	31284.63	43069.49	43319.87	39427.09	31351.24	43037.68	28826.83	33690.96	42715.13	42300.68	33914.44	52938.98	54372.89	41274.94	39974.74	29686.9	21457.02	45226.07	29103.8	47957.27	26989.12	36638.83	37946.64	49797.83	55113.73	38300.16
p-Acetaminobenzaldehyde isomer	643733.25	391323.97	84878.12	57330.06	54877.56	260542.7	142212.17	101649.4	69874.57	138654.02	207329.61	240321.58	125747.9	69492.27	101212.85	107220.76	60068.46	180169.42	86004.7	73394.49	711520.5	471117.5	124005.43	318875.47	187256.83	118617.41	545916.69	115417.95	76420.58	233807.39	64565.77	404103.09	98763.34	54139.56	45962.41	351652.75	72700.05	23131.8	24774.58	40256.2	37030.89	39943.96	26490.23	55651.16	87041.8	42260.5
Pantothenic Acid	673836.06	597853.69	599584.38	455133.12	617671.44	850500.56	720799.19	758458.94	793977	956298.19	543474.69	591641.44	627745.69	842597	794059.69	602803.56	379706.25	396005	353884.34	371450.5	403335.72	502564.09	530770.06	577227.94	520445.59	396804.41	744290.81	951088.19	580981.19	635880.88	657982.31	558378.69	551159.25	646927.69	363329.09	453962.84	650979.44	465600.59	286310.47	564769.25	528843.5	378958.91	298531.62	667135.5	439030.59	341346.91
PC(16:0/17:1)	70650.86	94567.54	78284.4	69090.84	95072.02	98911.71	87173.91	83775.51	99496.1	94729.96	73495.52	69392.97	69972.41	104474.79	125148.35	127417.35	160073.81	178501	212431.02	169018.61	139995.56	174625.38	189075.36	141100.83	146820.66	169040.5	132274.95	201720.39	175419.06	175798.58	139715.12	162851.2	184893.83	170484.33	122242.99	144818.5	133766.67	142660.8	91980.88	132128.92	148302.2	141317.88	106986.66	169842.83	173402.23	127795.04
PC(17:1/18:2)	72852.26	72565.21	53192.63	51543.23	80984.45	61725.18	114155.31	88157.5	89437.26	88181.31	117380.06	76271.87	77000.72	98484.23	84044.47	79574.66	78986.41	50356.67	58332.82	34700.31	74057.34	39406.44	78274.25	50480.69	47143.79	50645.62	37332.66	69630.23	69085.37	51408.57	59479.71	56941.62	43091.32	58989.48	81299.01	47459.97	37935.72	41844	43134.97	48790.91	76302.59	61342.03	53788.17	56947.42	48004.39	50722.24
PC(18:0/20:4)	2854.98	2747.27	2573.06	4491.87	4413.66	4564.52	6259.4	5237.57	2166.72	4179.43	5856.75	7043.26	3871.77	1803.35	4831.62	3386.77	8439.33	8115.33	7462.82	10341.99	12017.46	25226.97	32383.33	20043.85	10121.57	18968.91	6910.93	5419.46	13011.34	21955.37	15791.32	22560.49	55049.1	23359.38	21653.38	11755.15	4089.57	22257.8	21127.32	43346.81	3141.26	16195.09	28215.23	29625.77	21865.74	5248.06
PC(18:2/17:0)	181884.3	146426.39	171132.7	146006.67	234336.48	253849.44	277621.66	154712.2	211796.81	169880.11	284084.59	225168.69	198354.17	186533.06	180710.2	277131.38	185796.42	163310.38	132691.84	114509.05	237605.64	155315.27	176507.08	152198.31	137150.09	136839.83	100474.77	276773.53	120114.84	150618.95	210836.48	168071.31	143158.8	179755.19	191859.83	137043.81	105316.12	106034.62	97525.84	146356.8	127655.75	101420.06	139020.61	227258.05	141716.47	97267.68
PC(20:4/17:0)	83387.22	103839.52	100881.97	100316	199230.38	179429.48	103877.35	126055.81	197043.31	135058.3	89286.77	98785.88	143659.48	100032.16	131385.36	209880.08	157389.12	248203.8	251912.42	283242.19	143273.55	221776.94	219276.02	226974.94	200062.86	198002.58	192540.73	308743.94	295958.84	336981.53	261815.45	226301.64	251581.58	245996.5	180157.92	187532.5	159918.89	141980.16	132726.58	211634.64	132838.36	192790.52	154359.8	274006.5	201875.06	156762.14
PC(22:5/15:0)	27426.44	40741.87	32627.25	31843.61	33907.23	58823.21	44226.62	34803.25	66672.13	48009.88	44566.85	38258.46	55935.23	24187.73	51907.96	72038.27	103179.34	116611.48	123861.25	107242.44	110479.41	147408.33	139103.44	124737.27	71073.46	82787.94	100480.18	116192.04	124954.34	89835.06	100774.29	107231.26	105347.37	117174.34	85815.34	76952.52	57673.05	68442.51	40252.79	96511.91	102818.34	81792.61	57517.59	114194.84	117027.69	74291.52
PC(22:6/13:1)	5217.99	7724.89	6967.96	6491.81	11463.45	29104.28	13943.66	9777.15	12256.49	13935.55	13317.57	12505.63	12101.25	9210.88	19853.13	26345.97	13144.16	8640.78	10249.87	3680.52	6971.58	11316.46	16430.02	8114.42	4343.73	11464.52	8144.47	14506.37	5904.41	12792.98	6466.8	12645.82	9530.49	9221.18	7494.75	7351.54	4750.84	3950.94	2025.46	16593.96	11911.76	8200.28	8602.3	21021.45	15192.08	9897.95
PC(22:6/17:1)	81285.79	48998.05	68810.04	55209.06	34227.93	66301.91	68666.63	60522.32	30849.38	57824.95	76047.76	96614.34	58895.29	82028.21	66948.52	56220.82	69335.41	63815.06	50058.16	68588.09	26514.72	100248.16	93393.59	95048.47	87537.44	64362.79	32466.11	55556.81	93178.63	81031.91	68622.59	119248.15	51803.67	55112.73	24619.45	22914.41	9961.52	101144.3	60448.54	112157.31	65452.68	57494.59	44627.78	63229.56	99273.02	56937.24
PE(18:0/18:2)	605688	594545.5	652674.06	662783.44	792865.5	833431.69	671100.38	732730	789601.31	821578.19	604973.56	624191.94	711341.5	687178.44	693661.69	815240.19	659427.56	548832.56	545071.75	567837.44	434792	613443.75	615870.19	482673	530805.19	648784.75	450119.09	973418.75	606779.69	647761.31	646748.19	574254.19	471628.12	656002.81	483731.72	508158.16	581464.31	535955.94	438860.5	584748.06	536879.75	565291.81	408321.09	775477.5	639721.56	606421.94
PE(18:1/18:2)	128296.01	197936.52	111955.72	135467.17	177388.62	262474.44	180125.02	227523.89	192480.94	271510.28	232812.2	214163.92	185799.25	163363.83	172351.45	335505.38	166787.05	97038.37	121025.05	79605.04	97921.66	117942.44	174401.39	96533.84	64680.43	104039.18	76373.55	267731	109345.06	116784.62	91964.73	141889.92	142451.95	165745.8	102951.02	88770.34	67571.64	79361.62	50549.61	137295.22	131811.55	118120.02	55276.71	190709.56	147209.3	78182.71
PE(18:1/20:4)	139078.05	231662.05	146494.52	191804.73	217158.45	525751.44	237565.08	214917.14	260878.14	253960.55	261896.48	243315.75	235987.48	183612.06	271690.66	600429.81	317895.66	396816.66	430090.03	262446.88	249230.5	388713.66	423640.84	305513.97	209263.33	313524.66	332665.44	522825.66	329455.5	339208.22	259652.56	416665.91	407718.28	413845.53	277127.22	346307.38	171525.19	152170.36	124915.84	389790.47	332414.38	193437.08	153230.73	491241.34	408820.38	237124.56
PE(22:6/18:0)	211108.25	256168.81	233457.39	228345.95	493616.47	472538.84	284657.53	304824.78	389811.22	327856.06	205161.11	260074.94	298170.81	268865.41	422582.25	477554	214533.92	229021.69	229842.12	211825	208811.95	238147.75	224353.12	191749.45	185456.89	190413.69	218237.92	529647.19	236690.92	316180.53	210093.23	221805.08	196564.5	265708.97	266579.91	199170.5	187337.45	169439.05	143560.53	369416.62	166030	200439.75	177621.64	396637.75	288805.22	211561.48
PE(36:1)	7131.05	7348.09	7874.04	7962.74	7369.48	8725.52	9714.21	9996.37	7677.89	7030.58	12301.79	10603.48	6293.81	15111.1	12607.04	15920.64	15597.81	22178.04	17842.82	15954.68	15811.15	31531.47	47539.92	19947.51	17362.93	32690.32	11650.65	17035.38	19165.79	17396.3	36583.87	45541.46	50094.14	28887.07	25664.44	22091.06	17606.17	20950.02	12152.74	20905.88	20342.25	19616.41	18235.19	33011.46	34530.42	18478.1
PE(36:2)	84968.12	77986.31	82170.42	101493	88095.19	120551.68	117739.77	113424.04	109516.85	132123.17	141922.67	126152.41	100213.25	118180.37	113359.3	140985.09	98119.98	77251.88	72278.71	74992.31	84444.21	134580.25	212381.42	111268.25	76571.96	155504.75	71157.12	149268.25	86449.87	130414.13	131661.95	183640.25	148858.39	150324.92	131557.66	85569.07	101080.77	165057.09	99340.71	158215.5	94938.85	114941.75	121369.59	194414.5	154368.45	96809.25
PE(38:3)	6764.68	12534.39	6704.38	10107.08	10874.01	9547.25	11508.67	12335.42	16549.76	16244.8	18698.44	19606.13	10781.93	12573.04	13878.9	7161.11	11258.69	4253.54	6692.18	6832.37	6810.49	18567.38	24548.39	13277.89	7602.47	13923.74	7672.7	11796.9	13753.58	18986.58	15681.73	31419.99	16738.37	12191.31	15059.93	8242.14	3409.88	7824.13	9743.97	11879.46	20262.38	13584.89	16707.48	21769.4	20751.33	11075.07
PE(39:3)	5625.02	9342.05	5312.96	13286.89	10962.79	7924.08	7474.84	6223.78	10186.95	13025.27	15584.39	15004.94	11298.42	8859.14	9557.27	4810.58	10736.27	4607.75	3964.64	6595.35	10541.91	10359.55	21005.54	15932.19	1967.48	9678.23	1413.64	3837.08	4703.35	14470.56	12940.65	37317.82	19499.24	10998.66	23059.82	5241.25	2583.41	7419.86	12055.42	19418.03	9089.19	13555.62	17467.14	13834.71	13924.16	9686.84
PE(P-36:4)	142973.61	102479.59	120505.26	131680.64	190051.73	325275.78	149049.14	178312.3	185516.56	182834.89	135147.48	133988.05	148198.56	142998.11	130772.88	275335.62	249187.08	196971.67	198430.05	293869.03	227843.58	267144.22	268478.84	201152.12	180165.12	184993.38	208019.02	238381.81	282492.66	245447.39	206678.58	234614.08	233281.2	213276.38	207211.3	216720.8	154923.3	103891.55	129563.31	155418.3	176362.27	209219.98	129889.34	255746.38	241155	127647.16
PE(P-38:6)	264934.59	185835.58	241458.61	240610.44	398670.25	470469.66	265405.84	325842.22	364488.41	320785.47	240824.56	258854.58	262928.25	277858.59	238111.23	268143.03	240566.7	224933.58	215409.48	310537.47	209620.39	245350.33	230190.31	194740.25	238644.17	199267.88	190996.19	268423.84	303116.41	305543.84	242797.23	248782.92	190284.33	232987.08	230510.3	196318.19	165905.3	100421.7	161109.08	193108.62	209162.3	171309.12	165385.27	280436.75	283688.03	133479.77
pemoline isomer	25828.1	49492.3	32240.06	25416.47	21405.53	33425.74	33387.43	39706.97	33086.76	50446	32764.32	38700.26	28369.42	33339.59	34114.19	35420.12	28760.12	22178.95	35058.41	28701.93	32389.26	46377.72	55944.53	28935.64	24143.03	28406.07	34685.55	47788.79	56833.5	27168.52	47671.25	37063.79	46836.74	32183.86	30828.09	28856.93	54826.69	24468.07	23001.35	24247.24	33977.3	32133.49	20661.91	26093.38	29976.58	20793.37
Perfluorooctanesulfonic acid	144011.97	106796.48	166643.36	182787.62	116633.38	145928.05	242205.19	251910.45	222499.62	287239.47	192942.73	206479.83	186944.73	186051	153937.42	139741.61	117518.59	131327.73	120876.79	149651.2	168504.06	165735.31	201244.38	197664.95	266810.09	214593.92	284752.09	234174.58	207791.38	250014.61	282552.56	265004.91	241979.52	151369.61	189298.3	258239.05	406226.5	133276.33	128152.84	122371.81	222941.31	237019.83	159840.23	142395.83	189021.73	92068.99
PG(16:0/18:2)	18814.1	14396.98	16256.66	32711.8	34830.85	80302.99	55643.89	64587.83	61383.98	70425.5	62729.26	54675.14	52658.3	23284.72	57696.22	722372.75	477646.16	441828	410602.97	330486.22	212038.05	236870.14	1024263.5	349247.53	352898.22	646814.44	646721	1344849.88	416297.28	902198.5	586375.94	743345.56	1075526.88	1108006.5	447188.78	313950.88	291049.34	513113.12	208172.05	829517.94	240677	273257.28	166184.42	921337.31	1005441.56	360830.22
PG(18:1/16:0)	23658.82	24968.35	13997.27	11517.31	58252.23	120723.12	33084.28	44360.42	51100.64	76142.88	38210.35	38845.3	37442.07	34935.88	25606.18	204852.36	122559.13	131394.36	199611.3	78866.24	86523.82	65871.82	338436.66	118021.44	94618.2	174829.5	170341.11	403201.66	72548.79	275063.38	203007.88	247772.17	478350.84	364211.53	170320.5	137635.62	121909.1	178129.33	21515.57	214908.05	81769.22	93930.59	63495.38	380535.22	342506.38	71950.92
PG(18:1/18:2)	6319.93	11222.15	3492.62	3804.21	12206.55	39053.58	19783.38	14906.85	11711.98	22188.55	23351.28	10665.21	15284.97	12895.97	7455.16	75076.85	88275.01	114567.85	144575.25	61528.68	52226.18	52307.7	291777.38	71916.01	90758.23	113011.85	132551.86	155956.62	63952.68	144374.31	94832.6	133515.55	298458.91	129368.82	30500.87	59870.98	47714.89	96337.13	62325.36	152821.95	26025.95	18679.14	37036.1	213177.08	222791.2	49776.68
PG(18:2/18:0)	37138.61	22803.69	13032.31	35524.64	44980.64	62782.33	35108.07	50990.69	58571.78	34178.73	25143.72	47003.22	47862.83	33252.37	55746.93	361735.62	263885.47	287574.91	279227.97	226569.3	177604.89	246910.27	966668.69	289454.31	280146.03	433685.41	285912.88	1030968.69	309840.81	719307.25	363723.59	363059.47	741148.06	527660.69	244179.42	161408.56	262309.47	364021.41	166904.77	470438	157358.28	245533.02	73648	478462.78	559308.56	125626.81
PG(18:2/22:6)	5449.69	6291.19	4081.42	3928.51	5317.61	36419.72	11673.16	12423.38	11330.12	30077.82	1966.27	10734.12	9279.26	5960.4	17318.21	18444.13	2557.82	13745.06	14471.14	11744.8	8989.38	14504.37	5407.52	10087.8	20844.26	11575.32	25249.7	18760.17	26526.43	29850.01	13504.36	15971.89	16305.03	12558.9	11692.5	6582.69	14953.25	0	2431.42	5190.31	7659.84	6267.51	7862.93	25136.51	11952.21	0
Phenol sulphate	17017720	15598112	13350072	6726878.5	9474139	11902348	19448430	21423976	10161441	6929612	5261611	11858601	12059951	13007499	2334044	3686000.75	7456835.5	825048	5426026	537867.56	915359.31	6522036	492664.41	507755.16	517406.84	650356.5	4663316	391002.78	495510.91	167601.05	500847.34	1161665.75	506784.88	202526.62	6108300	626993.5	1930641.88	1133260.75	7417239.5	437533.28	2704546.25	10115747	4714084	553315.19	2036425.62	2605516.25
Phenylacetic acid	707177.56	881104.06	410543.38	268298.47	329661.5	426429.75	815639.69	545872.62	271903.5	732321.94	590370.81	447869.72	193821.06	403553.25	370077.5	47612.82	58028.58	83534.76	75753.81	76351.73	74766.71	91166.55	73189.96	101747.25	125743.85	51746.68	120380.59	107663.63	64930.89	62576.37	49993.43	68181.13	67713.77	61170.61	91746.16	76468.48	347746.66	39145.45	43874.78	56168.99	46341.48	82364.6	45353.14	46415.88	48998.47	36832.28
phenylalanine	1404918.62	1179714.12	1396418.62	1096385	924679.81	2373395	1655880.38	1964783	1954491.5	2117072.75	1842507.5	1728542.38	1507547.88	1778659	2009308.62	1420817	1448524.38	1092381.5	1322113.62	1232032.25	1249079.12	1429186	1874357.62	1626712.5	1379737.12	1211634.62	1329615.12	2157054.25	1838588.38	1452957	1737142.38	1698543.62	2157446	1734810	1131850.12	1205918.12	1999735.38	1458338.5	699319.31	1342459.12	1236029.88	1236648.38	706989.06	1727473.62	1302009	772295.31
Phenylpropionylglycine	818404.19	674614.56	916631.25	655311.44	731739.94	1262314.38	1320247.75	1007650.25	1102599.88	1210278.88	832582.81	916201.69	837514.5	799848.06	924418.94	433227.34	342576.22	421304.16	432543.5	459755.75	654728.06	696540.75	738573.44	451143.41	524466.06	433964.84	395726.38	627709.06	619746	422176.5	638259.38	570816	727720.5	556771.88	326139.47	455058.25	374200.78	619486.5	331867.41	739224.5	560374.56	342810.03	376086.12	792541.5	545565.81	298561.44
p-hydroxybenzoate	789970.56	631162.69	854565.69	942710.75	452240.41	430828.88	704263.94	1009926.69	971199.31	1139899.25	1097398.62	858200.94	749847	753758.94	525658.12	222079.73	146502.81	166814.19	203187.52	151062.83	769315.19	150432.61	150060.25	178205.5	144884.77	75349.91	226905.3	131379.56	118213.98	142186.89	98896.41	137722.22	165082.86	55582.2	217575.77	242200.56	410720.97	387341.03	436912.97	340167.41	91762.1	244586.7	225101.19	92807.38	84515.41	190283.08
PI(18:1/20:4)	1140.58	0	0	47721.66	123093.57	0	10603.1	7979.05	1738.92	27319.28	34486.25	29900.83	1507.03	9316.42	3726.36	27435.27	30099.2	4846.47	2728.5	8882.92	26972.08	39461.38	520384.5	87193.7	13214	191041.55	12142.46	37372.8	19048.49	19988.62	20653.72	843841	271501.34	11458.94	198016.5	9097.36	0	414102.09	281289.91	763126.81	134212.22	383909.66	728685.56	415121.09	403059.41	360111.03
PI(20:4/18:0)	851880.94	1016752.56	783360.44	782156.25	3083035.25	1147709.25	1914681.12	1143543.88	2311165.75	1774418.88	1223970.38	1379926.62	1481210.12	1043521	1178135.62	1714398.38	1137581.12	1365132.88	1563194.5	1972248.62	1790741.38	1202135.75	1595885	1001588.75	1100935.38	1116363.62	856220.81	2394468.25	1622163.62	1398796	953011.44	1103537.88	912970.69	1405829	1138340.12	1015307.5	338449.12	544642.75	459973.84	1414481.12	1114423	780050.44	786066.56	2163082.75	1560291.62	741011.81
PI(22:6/18:0)	15053.33	17411.49	10654.81	8904.56	41847.56	17197.67	19182.41	11981.01	34445.48	34671.3	20205.55	23495.48	24560.04	18399.5	17723.73	20642.17	10738.86	8280.88	13719.74	20184.5	13879.45	9609.22	12592.11	4541.07	12798.07	6944.56	3898.71	28847.71	17378.61	13173.77	4108.33	12722.19	9039.01	9722.43	11615.32	3992.78	6266.86	6357.83	6668.13	17985.15	9455.69	3333.75	7811.02	26278.77	18832.87	10441.45
Pipecolic acid isomer	35338.39	39669.98	40557.51	35281.53	32294.85	39005.64	45194.39	40651.42	46067.89	58409.51	50586.42	47602.31	41482.28	40350.79	55551.77	26215.56	27113.15	22450.45	28141.3	17476.9	30681.19	25708.17	27711.34	48185.56	25020.99	32304.83	50348.87	38281.94	36222.25	23916.22	30252.04	33082.64	26690.95	22644.43	31185.92	36356.78	29292.85	29409.2	9359.47	24396.56	28254.6	28763.46	20670.75	31341.88	22757.9	13676.01
Pramanicin isomer	51117.22	28519.38	42252.89	69069.06	32367.08	64607.39	204107.11	69564.61	38315.94	82988.09	143236.14	91288.66	72092.99	35379.3	68180.82	76384.09	46545.59	146982.81	29952.19	33868.25	121869.56	69678.37	86987.24	128787.02	72975.52	105975.45	59972.89	117743.81	83300.62	90130.81	76665.35	86424.99	71820.3	70898.82	75741.87	100442.26	45202.48	46480.48	21416.66	44423.18	50800.74	51456.06	69168.27	58581.43	35382.71	23349.98
proline	607279.81	556990.56	644691.81	528820.56	510947.16	844262.94	794437.5	953615.31	927861.75	1235646.12	1090663.38	880118.75	742274.94	915584.19	1047461.81	1250726.62	1259303.88	753341.5	942899.69	599502.62	803198.19	616337.81	1291582.12	996128.19	682804.75	816417.19	575914.56	2359895.25	705806.69	697440	1182498.62	1075905.38	1750953.5	1393241.88	583164.06	552715.25	1176065.12	770683.25	472321.88	947084.75	572389.44	602205.31	326349.06	1219034.12	711022	459971.53
Propenoyl carnitine C3:1	31963.18	36930.23	42973.51	30889.24	6063.29	14947.14	35066.87	45028.04	8825.53	27693.34	21496.67	29764.9	34243.02	31816.81	21125.08	13989.12	23436.19	16980.89	21840.96	20354.76	32200.48	29243.86	32992.45	15716.56	40935.75	45353.95	105137.88	43038.79	17310.51	39307.12	27304.46	22450.47	51713.28	15184.55	16886.19	33418.44	25271.72	20204.25	23585.65	23838.94	19268.22	8306.91	13693.95	18264.54	16289.25	12106.6
prostaglandin E2	313132.03	212197.05	213470.62	329369.66	272309.31	210088.52	163726.67	172258.17	289944.88	248752.17	274729.38	229949.06	364081.28	206794.83	294184	191608.11	413012.91	391585.09	325984.84	344889.75	236934.81	415935.25	264101.09	446535.25	275281.72	396672.16	235588.64	254315.58	321999	391696.16	196117.98	326772.16	422184.09	294430	320499.5	201485.3	195791.81	165816.12	247308.95	274379.72	331075	399383.88	241537.62	101397.54	331364.53	262350.19
PS(22:1/20:4)	154320.02	375964.97	275151.34	212031.62	522832.72	389182	237460.67	242276.81	320892.09	207748.14	130892.18	205504.48	188573.75	229099.95	452209.75	343851.34	170791.98	156366.73	179469.27	221469.95	138558.7	127787.66	168512.5	171740.67	225432.33	197592.8	158949.42	356512.34	192894.64	282676.78	108797.44	173160.14	132072.27	214206.62	122968.81	108070.44	106891.98	184705.05	198962	229280.55	156758.69	106326.72	174083.75	247308.88	251074.61	249996.14
Pseudouridine	384605.22	387307.34	371812.88	259464.5	363371.03	448455.12	368911.78	398995.22	503106.16	500615.72	307958.78	329905.78	352514.53	453179.09	561975.06	406388.5	482072.09	408010.72	424492.09	334438.25	405511.91	414435.38	429513.66	446593.47	301249.84	441891.38	560415.5	668469.69	419706.5	330729.78	397870.34	372444.59	307730.09	447217.53	384137.41	378183.16	434201.09	302791.84	120152.44	477851.75	407960.16	367383.34	231221.95	553778.75	317935.84	273258.78
Pyroglutamic acid	3413669.25	3021185.75	5803771.5	3089538.25	2956461.75	2820386	3091730	4127666	4062289	4045327.75	2529988	2370075.25	2090442	3050198	4255383	2762320.25	2643101	2520179.25	3210805.25	2747777.75	2656262.75	2539122.75	3194923.25	2456531.75	2660725.25	2354694.25	2767974	4232310.5	2999883.75	3218344.25	3154667.25	2302883.25	2516141.25	2562148.25	3747336.75	1971150.12	4615859.5	2609347.5	1333450.62	3658090.75	1811990.62	2087245.88	1514369.62	2310985.5	2588536.75	2902780.25
Pyruvaldehyde	2818572	2554391.75	2773607	2232198	2307578.25	2751254.25	3124103.25	2791826.75	2943249.75	1254192.12	2582088	2933183.25	2480390	2955375	3133444.75	2511849	2982054.25	2436594.25	2883482.25	2802739.25	2619419.75	3245035.75	3039193.25	2874960.75	2717699	2918006.75	2683282	3529534.25	2424560.75	2985718.25	3284039.25	3303090	3346959.75	3097579.25	2115059.25	2752612	3728104.75	2626121.75	1528585	2286084	2464881.25	2827067.75	1931444.62	3329596	2607043.5	1880460
pyruvate	19029478	22132080	19763858	14120939	14271072	13337720	13517505	14964747	17532726	13045365	8562580	12971640	15454584	12148740	13081325	24518002	21351594	11267483	6061400.5	7940858.5	11203105	12877555	10595836	10548003	7441129.5	10390539	7147314	18741310	8604244	11372073	6915941.5	18104768	12148608	14826157	7503140.5	10041272	4408280	12774067	15461808	27717294	10561047	10101156	7621705.5	20505304	10763686	11597987
Retinoic Acid	342050.34	378713.16	437436.59	587074.56	464047.59	207060.3	803929.44	123779.04	298191.22	370394.41	766101.19	539622.31	295302.16	285619.06	125369.01	382741	247528.55	378235.09	496957.25	340773.84	300659.34	486341.38	586734.5	564625.94	198695.45	394888.91	488719.41	374376.84	228782.98	495931.53	734698.19	362731.28	447153.09	283025.5	946862.5	356753.91	3815999	359408.91	658839.44	373699.91	278248.34	256676.95	450493.38	345927.69	2153341.5	398725.28
Retinol isomer	30272.38	33724.51	17050.24	19069.21	0	104252.56	51363.84	23481.37	57362.38	21310.96	89418.51	17392.33	20642.19	45016.61	53961.38	89966.09	49051.48	103236.47	32228.59	40053.54	91538.93	83684.75	116337.84	53424.09	64628.04	96328.2	108868.29	319768.56	41283.29	64002.18	130479.1	42818.61	74724.2	194025.95	31708.92	57201.66	88551.13	141655.42	27992.72	186165.12	42582.22	18030.61	57245.33	183941.58	130777.84	101537.54
Ribose	318579.34	275480.59	306825.84	237860.23	256900.25	309774.88	335743	319363.66	329155.97	427647.62	297987	318436.72	274303.41	318289.53	338879.72	273876.75	327335.97	270867.09	325499.28	299692.28	282432.97	345202.75	312344.22	328889.09	293375.28	304609.5	295129.66	390690.22	408032.62	323538.66	350742.47	369173.12	367719.47	329741.97	223131.88	304694.28	403958.53	255578.14	163510.61	249641.05	271096.41	317029.38	203692.39	352991.25	270044.16	205069.5
Ribothymidine isomer	18369.17	10701.52	12118.42	7793.14	12719.05	18589.66	13496.41	13635.41	9854.64	11774.35	9117.66	13519.97	11677.44	17694.93	12726.93	15689.13	13006.39	9666.17	8084.16	7777.84	7417.36	13474.23	12450.87	15285.95	14094.95	17470.6	14722.53	21646.9	12957.06	12538.01	13345.29	10328.5	25557.41	11835.7	12211.77	9750.03	10898.35	13297.98	3981.6	11808.91	11914.27	8624.78	3969.86	19524.05	10482.99	6306.24
Rubrosterone isomer	142053.77	425411.75	93677.69	87934.84	59578.67	113110.18	76522.38	49958.11	80077.13	89274.45	88323.16	67756.85	88757.22	75436.02	55115.06	48934.02	59123.07	68353.46	205860.62	134963.44	35480.9	97627.59	98838.99	61628.32	41027.69	40721.68	57179.92	90795.41	28549.13	30423.07	56241.1	27593.96	57942.09	53833.05	161973.27	52149.44	147328.33	57018	63771.23	55727.67	22041.67	47877.43	90643.81	39217.46	38924.29	49363.71
Sebacate	316258.53	308102.03	226392.42	194876.92	154077.86	268579.5	285610.84	300989.47	194340.23	333975.28	323878.47	364775.34	181247.75	280001.38	298846.28	194870.14	240696.86	313269.06	438830.47	271554.03	398003.59	324251.22	309631.72	417394.12	515730.59	601457.5	737450.31	451931.34	331424.03	381758.25	305272.56	248075.5	259885.14	256149.44	234711.12	523915.16	616809.94	178697.58	166498.36	211077.8	193342.8	185562	154108.84	204226.12	250060.2	129072.54
Sebacic acid	407796.97	245289.58	255985.17	205357.44	53309.57	224555.17	254116.02	348339.91	129525.53	325459.78	226502.67	241799.19	144412.16	308881.47	236508.39	86309.73	124984.77	213636.45	179822.8	111925.02	262827.34	145161.27	153424.77	207080.3	309896.72	372431.34	836324.19	485477.97	193359.5	305481.09	195654.7	180198.92	222331.05	104844.26	100148.46	220396.02	288635.78	79957.01	78294.87	110521.49	36388.46	43157.68	35185.01	29077.54	32305.2	31769.68
serine	429175.41	328192.88	473853.47	423349.66	319618.91	421719.34	545936.88	748074.69	597048.12	739256.69	715880.56	640156.06	466737.66	557333.06	656520.25	649149.25	664713.19	411246	577966.31	511564.75	542097.31	483602.25	661231.81	690448.56	550270.06	604461.31	582134.5	901230.69	638531.31	644767.69	732687.69	658567.44	754629.25	470374.97	457739.72	537867.12	901722.81	490413.59	290700.84	382877.59	477751	491957.25	316208.22	610797.44	521586.53	352806.38
sn-glycero-3-phospho-1-Inositol	12849.25	13353.97	11515.4	6333.5	11706	21397.69	15545.38	12967.35	21370.5	18107.56	10184.85	8421.02	13818.38	21707.83	24365.99	14043.57	15802.82	15888.07	17715.79	9238.45	15620.22	12808.5	10756.58	15713.34	9176.07	16831.08	14400.31	31591.49	12476.24	10861.59	11555.07	13940.94	18863.62	18470.43	14850.95	11974.26	23548.35	10536.65	3881.26	19256.21	12834	13745.02	5892.63	18862.54	10545.21	9860.38
sorbitol	301696.03	238456.69	291080.69	251248.8	175706.25	251915.38	264061.91	290261.97	268574.31	328984.47	222355.5	288979.31	219547.62	255554.12	267657.84	216710.52	250994.05	1245391.88	229783.77	210002.36	231757.95	256195.58	274352	258464.52	268372.19	219433.48	314907.47	238129.48	273017.47	253928.42	271578.34	261533.8	367130.62	231535.48	319865.41	267275.03	806111	199880.62	122435.38	373994.41	216781.75	237147.38	153781.61	190096	215248.33	228371.27
Stoloniferone C isomer	21792.98	26222.26	13332.51	18085	22724.81	40022.35	38771.51	31148.94	23533.12	33598.38	23716.01	13624.26	26199.03	25793.22	19043.44	47751.58	54593.43	40801.06	33662.27	32137.31	41258.78	47783.89	50400.1	21866.89	37371.35	33452.89	39777.3	41234.16	47538.67	42503.93	45518.47	20902.79	31674.83	35377.02	34523.18	13027.18	37343.4	16284.32	11635.14	22715.88	35208.5	28026.74	22335.84	25668.97	21055.69	19476.7
Suberic acid	614907.06	359223.34	425236.72	185379.39	350697.03	26223.93	162622.61	156669.75	460880.16	69797.19	397203.47	164379.09	135614.47	181764.89	126409.15	285421.91	699619.31	310122.47	310751.62	194759.17	127054.41	238973.48	401492.47	117241.75	211121.8	125107.51	331863.28	147704.94	79275.4	44723.34	535775.38	104846.04	300533.03	131052.12	814732.25	313521.41	344957.34	308134.78	116165.59	76023.23	19654.58	454336.66	122390.88	167558.05	216130.5	44206.78
Suberyl Glycine	12507.14	6665.35	9566.56	5296.48	7386.55	12318.09	10908.74	18130.57	8688.89	11454.68	9559.26	11064	10904.02	10670.86	10044.86	12703.39	19184.38	13029.5	13177.31	13114.36	12574.98	16452.75	15819.9	19750.42	10807.11	17541.46	17281.48	14294.13	12624.09	17319.4	14192.04	13141.17	14497.74	10413.58	14480.25	16752.52	21544.46	8864.45	5934.52	7491.51	12368.54	13941.19	9721.76	12092.11	9886.14	8942.69
succinate	3408883	3803594.75	3230082	1768872.38	2095089.88	2034752.5	3386890.75	2075951.62	2434516	4528426	2749290.25	2744251.75	1970871.38	3828057.75	2793169	2418486	2029235.62	1562722.88	1957916.62	1381111.38	2414297.5	2273572	2638627.75	2120943.25	2660225.25	3022194.25	2810468.75	2701669	2114342.75	2498526.25	1716986.38	2002739	2036888.62	1952971.38	1429225.88	2119770.25	2827336	2268078.25	1065499.88	2258089.25	2659191	1812509	1250396.5	2660306.25	1775613.62	1701252.62
sucrose	483448.78	265513.47	438143.09	382062.5	131111.2	1221126	791908.5	354181.66	348866.34	4216781.5	91432.69	412823.28	142275.31	446730.84	401425.47	131138.58	81262.72	445333.34	1798354.12	169713.02	107882.88	151221.31	410109.75	97712.3	129629.59	49852.08	245799.45	4254659	837438.56	68548.81	233405.69	61124.27	203455.36	66568.59	639922.69	96975.62	4239175.5	769605.94	118152.3	336384	51779.88	184224.48	78875.46	75569.46	274259.72	635683.81
taurine	2955249.25	3428215.25	3066142	3609664.75	2641402.75	2607676.5	3616656.25	3572680.75	1450011.38	1509035.88	3868366.25	5110254.5	5675022	4386131.5	2020318.62	3310814.25	2676439.75	3620212	2232094.25	2089120.12	4143151	3755400.75	4304442	2167207.25	3135143.25	2826241.75	3556626	2313360	3051280.25	3108649	3363079	3269397	2862041.25	3996957.75	3202578	4450064	7991607.5	1773947.88	1949016	3560760.75	1915645.5	1613296.12	3264488.25	3872736.75	2704221.25	2735936.25
Taurodeoxycholic acid	262554.47	107305.91	214068.23	221799.67	287869.44	268537.5	216279.33	446128.5	293152.12	564358	783105.5	303857.84	308741.47	360400.66	185603.25	1612525.88	502101.91	496783.16	1612368.38	1671639.62	985926.25	938562.94	1247634.38	1907389.62	1395070.62	1453449	1114353.88	1794340.62	1004894.75	795031.31	744214.5	8303812.5	3491666	1565745	1815305	553411.94	882624	2427829.75	2162016.75	4555515	1300439	6362636	5492540.5	4800098.5	5065577.5	1983066
Terbutaline isomer	43011	34420.21	32661.96	69069.06	32367.08	64607.39	63373.86	36762.03	49645.95	59508.06	25257.89	37172.98	39880.58	43877.66	35434.82	25151.22	34371.5	27204.58	18202.57	25080.73	26047.65	42421.11	34299.9	30318.55	19601.57	32038.83	24200.81	34563.04	39309.61	37742.1	40138.14	18987.34	25332.6	32376.16	19990.67	24090.85	22422.98	22194.94	13488.67	19886.99	29763.09	27189.93	17977.03	34021.25	22412.1	15142.09
Tetradecanedioic acid	62452.57	58517.74	60258.83	60074.85	36911.92	41579.7	77674.76	62742.7	48067.03	34812	45729.27	76811.41	67672.65	70248.18	43032.55	98824	155361.59	135114.12	183879.45	166898.33	159195.64	202305.27	200482.19	173254.14	127860.31	147712.61	167656.83	118700.99	241631.64	191885.56	224415.17	237328.64	246580.77	177859.06	127662.98	170233.67	235225.44	110071.21	82282.71	98245.84	204445.67	182880.95	95976.4	127754.09	156884.92	58398.94
Tetrahydrocortisone	105958.35	62585.18	96156.56	63839.45	59479.82	37600.57	137479.27	180922.58	117702.91	185896.06	76479.65	109228.44	154654.91	139112.69	144195.36	112674.04	87789.37	67232.09	68533.8	72602.24	74015.29	144169.8	116026.15	124515.15	87587.5	95452.56	97362.66	87991.84	188098.8	113478.85	111321.12	126772.88	161782.02	75330.19	75791.6	103353.52	93593.31	58077.36	66806.45	62307.99	209021.67	98449.28	125325.02	149269.11	107193.88	78302.05
threonine	411035.78	349722.34	451701.16	399888.78	270855.66	478565.16	557446.81	862329	703235.25	935784.69	866265.94	645289.5	491873.72	650088.25	786107.25	883585	950526.31	587535.25	718631.75	647428.56	617142.25	628000.19	959496.56	859844	726640.5	698517.81	668633.5	1094390.62	790189.69	883794.81	914099.44	933213.5	1114884.62	702639.19	461794.91	588838.12	1319644.38	589091.5	310959.5	407741.28	501381.41	483138.59	288355.22	699783.81	659324.81	361542.62
thymidine	796679.25	654485.56	726194.5	539736.69	732600.19	1415308.62	687179.06	1229615	1185193.75	1298565.75	689123.19	744225.94	827819.19	790702.81	1003458.56	725006.06	881012.5	1021345.44	794394	1067243	882039	707565.81	815098.75	1089474.62	704743.25	1151116.25	993373.94	1404774.62	704155.44	949124.69	1314863	749773.44	1151167.25	1345577.88	1112305.38	741357.75	902977.19	701895.19	463841.91	796284.5	510996.59	612149	417062.66	1284765.12	434217.25	545559.06
Tiglylcarnitine	16213.52	20772.66	15469.1	25468.19	14056.58	13721.96	25561.16	11403.61	8298.03	7800.9	23318.26	17980.76	27230.95	19375.1	13977.05	11649.37	12011.88	13412.74	7068.42	15764.51	12156.4	17982.83	21468.6	14289.07	24673.17	18666.99	26461.59	10167.99	16571.84	16582.08	11877.98	13639.17	17596.93	5392.01	29004.78	17639.15	26342.33	12242.27	10696.86	18273.5	22337.04	12571.71	6567.52	10859.7	19500.47	20776.44
trans-3-Indoleacrylic acid	30151.82	9284.9	16757.8	26383.54	21128.73	8173.8	29080.97	33044.6	27351.89	33513.08	18425.72	22798.33	19504.77	25443.82	24897	33880.48	47589.91	16277.02	20462.21	21724.46	17631.92	10556.32	46692.11	6075.14	8693.69	14111.23	2337.58	26700.03	18833.55	9391.37	29950.7	15485.86	16397.06	30954.83	21622.31	2370	16981.98	23505.83	13362.99	40455.77	38899.64	18670.17	7670.1	22613.98	10321.72	9485.81
trans-4-Hydroxycyclohexylacetic acid	311172.84	246897.7	249625.67	205061.42	195021.45	52731.23	127512.48	122711.37	315889.53	106781.01	295670.5	187998.42	129670.97	137100.64	88227.02	147364.14	444771.53	196225.61	166084.14	192429.98	174807.88	166624.72	321022	64920.07	52445.46	44265.3	238986.3	186311.92	38933.98	39300.36	332248.91	39536.15	174384.75	71881.66	559044.19	96819.43	283394.41	291024.38	111702.06	66507.86	57899.62	359010.12	81828	159079.31	132250.52	24572.49
trans-Cinnamate	144570.14	114748.9	138893.39	111751.72	84927.02	239444.73	167684.3	202150.2	192342.12	228785.98	184636.39	170713.72	150281.5	174069.48	207279.92	144982.86	145318.3	104845.56	134799.52	128850.97	121782.2	142508.69	184306.52	163655.23	137529.45	121484.98	130840.63	224078.12	192211.5	149626.56	173423.69	164061.31	217392.7	171452.55	108506.91	120552.71	207297.14	147899.5	71021.9	135708.86	129420.66	124383.84	75487.47	178562.95	126618.04	75107.51
Trihydroxycoprostanoic acid	65899.57	47304.7	79881.91	139694.98	83946.81	84488.35	103546.48	92353.79	66766.85	170083.77	147233.42	147639.64	75740.09	90982	73735.31	81493.15	108400.09	61533.94	81799.34	96470.38	127355.77	159777.81	211345.45	172677.02	105795.62	116018.02	125098.35	88264.72	99961.12	128401.76	104017.2	215154.31	203621.75	107688.91	109859.46	93361.98	114387.18	99055.35	124146.93	139001.11	210205	243632.92	195914.05	166193.59	235647.75	92456.63
Tyrosol 4-sulfate	228442.75	141545.61	155862.25	116467.56	96067.41	220465.8	139284.02	219164.58	179691.55	326171.62	159002.66	213314.52	150716.41	347004.59	223138.2	209033.62	150774.39	109094.96	90389.88	56515.5	95415.73	108408.28	118488.68	60518.09	74469.15	71008.38	93079.68	52724.83	91612.34	94671.96	37819.93	120425.45	93607.55	138248.8	139064.05	120682.48	167867.52	197679.11	60653.59	306563.53	373078.88	227787.39	187735.33	166500.14	224505.89	105809.91
uracil	318015.38	297128.22	261114.38	208590.92	350345.34	506719.5	273279.66	374223.97	418106.53	411565.09	231619.2	254895.3	303995.41	313258.12	372422.62	317479.59	325861.5	382345.59	321492.41	351705.16	308758.81	268786.91	315817.5	329675.03	214803.44	376803.62	313871.22	465113.91	189994.02	295356.16	354975.75	223847.14	310026.16	362151.59	346732.91	254181.81	186754.44	305125.22	162004.5	329674.88	179367.77	247990.77	165717.67	508805.34	188457	247599.58
uridine	1233428.5	508082.72	678411.69	483272.25	691263.81	821132	937967	1043821.19	971041.69	1038517.81	801376.69	687789.25	744456	1072265.38	825377.81	970993.69	888146.06	726257.19	774943.81	915636	1289524.12	1207309.38	1133308.88	1457830.5	1084230.38	1508109.88	1437095.62	2165591.5	1341409	1436861.5	1411767.62	1115019.38	1383894.62	1075432.62	710701	1517151.88	1638068.38	1467268.38	492450.09	1151748.5	1098710.38	960275.75	834648.19	1697259	1044177.19	856008.94
Urocanic acid	843047.5	1013061.56	1461426.12	773950.69	662082.25	111098.63	352694.47	523163.38	903510.06	283465.47	115115.54	264598.78	141156.77	170975.55	220494.02	243414.67	311295.41	209456.8	420846.75	398337.34	197296.95	202243.11	216672.92	287845.03	327994.22	113763.27	254791.81	707066.69	191134.94	102303.45	150719.14	129335.24	307109.88	283386.03	891119	87971.16	501928.47	533994.06	217323.98	293459.59	85945.32	515636.88	219699	87612.19	149921.5	545998.44
n-acetyl-ornithine	153456.12	126361.88	158275.53	137964.48	111017.34	255779.05	190431.25	195722.7	249402.62	264288.62	252467.31	216473.88	172646.42	234031.89	230431.73	7019.9	7750.3	8589.09	6632.59	5520.24	16228.7	14094.85	10561.64	26582.42	12764.92	15415.25	19855.42	12840.41	10934.96	13141	8460.64	21665.58	16038.83	11470.29	11371.21	19878.69	23638.21	8593.97	14651.31	39694.52	50220.7	36507.2	18011.67	67891.81	46628.25	45910.7
valine	1236491.38	1093693.38	1553300	1227223.12	742252.81	1936243.38	1726178.62	2258627.75	2046473	2280565.75	2410424	1941697.5	1439576.88	1716219.62	2108727.25	1910306.38	1959847.88	1310616	1667155.12	1547997.38	1633100.62	1773555.38	2376249.75	2114769.25	1729925	1592329.12	1700402.5	2118549.5	2201186.25	1845438	2139071.25	2482532.75	3277950.25	2034808	1406801.12	1616544	2754177	1519782.5	917259.81	1269923.38	1506129.38	1520739.38	780183.75	1621556.5	1693086.38	1053987.12
Vanillin 4-sulfate	122375.81	98198.66	94727.87	62007.58	53572	45358.15	100215.49	116546.38	98625.88	181835.05	68439.07	103077.91	82593.72	117774.1	167663.48	151901.06	98340.77	49706.3	29308.74	38060.62	89161.05	54944.49	76951.65	46915.16	26754.42	46425.88	42004.85	36666.23	52865.41	67418.25	55023.14	78851.18	69955.38	85470.85	56574.67	114942.3	93568.96	101360.65	33043.41	117799.6	162771.58	119542.18	106310.84	70304.88	116055.16	55862.14
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
1-(4-Hydroxyphenyl)piperidin-2-one
1_6-anhydro-b-D-Glucose
10-hydroxy-2E-decenoic acid
11-deoxy-PGE1
13(S)-HpOTrE isomer
1-Oxo-14_17_20_23-tetraoxa-2-thiapentacosan-25-oic acid isomer
1-Tetradecanesulfonic acid
2',2'-Difluoro-2'-deoxyuridine
2_4-Dinitrophenylhydrazine isomer
2-aminobutyrate
2-dehydrogluconate
2-Deoxy-D-ribose
2-Hydroxydecanedioic acid
2-hydroxyglutarate
2-hydroxyhippuric acid
2-Hydroxyvaleric acid
2-Isopropylmalic acid
2-keto-isovalerate
2-Methylhippuric acid
2-Nonenoic acid isomer
2-Oxoadipic acid
3-(Hexane-1-sulfinyl)-N-N-bis(2-hydroxyethyl)prop-2-enamide isomer
3-[2-(2H-1-3-Benzodioxol-5-yl)ethyl]-5-oxo-2-5-dihydro-1-2-3-oxadiazol-3-ium
3-hydroxy-3-methyl-Glutaric acid
3-hydroxybutyrate
3-Hydroxypropionic Acid
3-Methylglutaconic Acid
3-Methylindole
3-Ureidopropionic acid
4-(Decyloxy)benzene-1-sulfonic acid
4-Acetylbutyrate isomer
4-Ethylphenyl sulfate
4-formyl Indole
4-Hydroxyisoleucine isomer 2
4-Hydroxymandelic acid
4-Oxoisotretinoin isomer
4-Pyridoxic acid
5_6-Dihydrouridine
5_6-Dihydroxyprostaglandin F1a
5'-Deoxy-5'-thioinosine 5'-monophosphate
5-hydroxyindole-3-acetic acid
5-hydroxyisourate
5-Keto-D-gluconic acid
5-L-Hydroxytryptophan
6-beta-hydrocortisol
6-Deoxohomodolichosterone
7-Methylguanine
9-Decenoic acid
Acetylglycine
Acetyltropine isomer
aconitate
Adipic acid isomer
a-ketoglutarate
allantoin
alpha-Ketoglutaramate
Aminoadipic acid
Anthranilate
arginine
asparagine
Asparagoside A isomer
aspartate
Azadirone isomer
benoxinate isomer
Benozic acid
Butyl isodecyl phthalate isomer
C14:0(Myristic acid)
C14:2
C15:0
C15:1
C15:2
C16:1
C16:2
C17:0
C17:1
C17:2
C18:1
C18:2
C18:3
C18:4
C19:0
C19:1
C19:2
C19:3
C19:4
C20:0(Arachidic acid)
C20:1
C20:2
C20:3
C20:4
C20:5
C21:1
C21:2
C21:3
C21:5
C22:1
C22:2
C22:3
C22:4
C22:5
C22:6
C23:0
C23:1
C23:3
C23:4
C24:0(Lignoceric acid)
C24:2
C24:3
C24:5
C24:6
C25:1
C25:2
C26:0(Cerotic acid)
C26:2
C26:3
C26:4
Capryloyl glycine
carbamoyl phosphate
Carnosic acid
ceramide (d18:1/24:0)
Cholesteryl sulfate
cholic acid
Cinnamic acid
Citronellyl propionate isomer
Corchoionol C 9-glucoside
Corosolic acid isomer
Corticosterone
cortisol
CPA(18:0)
Cresol sulfate
Curlone isomer
Cysteine S-sulfate
cytidine
DAG(15:1/22:4)
DAG(39:5)
deoxyguanosine
deoxyuridine
D-Galactonic acid
Dihydronaringenin-O-sulphate
Dihydronepetalactone isomer
Dihydroroseoside isomer
Docosyl 4-hydroxybenzoate isomer
D-Phenyllactic acid
Ecgonine
epsilon-(gamma-Glutamyl)-lysine
equol sulfate
Ethyl 7-(2-formyl-5-oxopyrrolidin-1-yl)heptanoate isomer
Ethylmethylmaleimide isomer
Ferulic acid 4-sulfate
fumarate
Fumarylacetoacetate
Gabapentin isomer
Galacturonic acid
Gamma-Glu-Leu
Gentisic acid
Geranyl acetoacetate isomer 2
glucosamine
Glucose
Glucosyl (2E-6E-10x)-10-11-dihydroxy-2-6-farnesadienoate
Glutaconic acid
glutamate
glutamine
Glyceraldehyde-3-phosphate
glycerate
Glycerol 3-phosphate
Glycerophosphoglycerol
Glycerylphosphorylethanolamine
glycine
Glycolic acid
Glyoxylic acid
Guanidoacetic acid
Guanosine
Hexanoyl Glycine
hippuric acid isomer
Hydroxycitric acid lactone
hydroxyisocaproic acid
hydroxyphenylpyruvate
hydroxyproline
hydroxypyruvate
Hyodeoxycholic acid
Imidazoleacetic acid ribotide isomer
Indole
Indole-3-acetic acid
Indole-3-acetylaldehyde
Indole-3-carboxilic acid-O-sulphate
Indole-3-carboxylic acid
Indole-3-ethanol
Indole-3-propionic acid
Indole-3-pyruvic acid
Indole-5_6-quinone
Indoleacetic acid
Indolelactic acid
Indoxyl sulfate
inosine
inositol
Inositol cyclic phosphate
Isethionate
Isovalerylglycine
Jasmonic Acid isomer
Kynurenic acid
lactate
Laurate
leucine
L-Fucose
Lithocholic acid
L-Menthyl acetoacetate isomer
LPC(14:1) isomer
L-Threonic acid
lysine
LysoPC(14:1)
LysoPE(20:1)
lysoPE(20:2)
LysoPE(20:3)
LysoPE(22:4)
LysoPG(18:0)
LysoPI(20:4)
lysoPS(22:0)
malate
Mandelic acid
methionine
Methyl equol sulfate
Methyl farnesoate isomer
Methylsuccinic acid
Myristoleic acid C14:1
N-(1-Deoxy-1-fructosyl)threonine
N-Acetylasparagine
N-acetyl-aspartate
N-acetyl-citrulline isomer
N-Acetyl-D-fucosamine
N-Acetylglucosamine 6-sulfate
N-acetyl-glucosamine-6-Phosphate
N-acetyl-glutamate
N-acetyl-glutamine
N-acetyl-L-2-aminoadipate
N-Acetyl-L-alanine
N-Acetyl-L-glutamine isomer
N-Acetyl-L-methionine
N-acetyl-phe
N-Acetylproline
N-acetyl-trp
N-butyrylglycine
Neocnidilide isomer
N-Ethyl-4-methylbenzenesulfonamide isomer
N-Formyl-L-methionine
N-Heptanoylglycine
N-Octanoylglycine
Octadecanedioic acid
orotate
PA(20:4/16:0)
p-Acetaminobenzaldehyde isomer
Pantothenic Acid
PC(16:0/17:1)
PC(17:1/18:2)
PC(18:0/20:4)
PC(18:2/17:0)
PC(20:4/17:0)
PC(22:5/15:0)
PC(22:6/13:1)
PC(22:6/17:1)
PE(18:0/18:2)
PE(18:1/18:2)
PE(18:1/20:4)
PE(22:6/18:0)
PE(36:1)
PE(36:2)
PE(38:3)
PE(39:3)
PE(P-36:4)
PE(P-38:6)
pemoline isomer
Perfluorooctanesulfonic acid
PG(16:0/18:2)
PG(18:1/16:0)
PG(18:1/18:2)
PG(18:2/18:0)
PG(18:2/22:6)
Phenol sulphate
Phenylacetic acid
phenylalanine
Phenylpropionylglycine
p-hydroxybenzoate
PI(18:1/20:4)
PI(20:4/18:0)
PI(22:6/18:0)
Pipecolic acid isomer
Pramanicin isomer
proline
Propenoyl carnitine C3:1
prostaglandin E2
PS(22:1/20:4)
Pseudouridine
Pyroglutamic acid
Pyruvaldehyde
pyruvate
Retinoic Acid
Retinol isomer
Ribose
Ribothymidine isomer
Rubrosterone isomer
Sebacate
Sebacic acid
serine
sn-glycero-3-phospho-1-Inositol
sorbitol
Stoloniferone C isomer
Suberic acid
Suberyl Glycine
succinate
sucrose
taurine
Taurodeoxycholic acid
Terbutaline isomer
Tetradecanedioic acid
Tetrahydrocortisone
threonine
thymidine
Tiglylcarnitine
trans-3-Indoleacrylic acid
trans-4-Hydroxycyclohexylacetic acid
trans-Cinnamate
Trihydroxycoprostanoic acid
Tyrosol 4-sulfate
uracil
uridine
Urocanic acid
n-acetyl-ornithine
valine
Vanillin 4-sulfate
METABOLITES_END
#END