#METABOLOMICS WORKBENCH Asaelr_20250311_132200 DATATRACK_ID:5718 STUDY_ID:ST003789 ANALYSIS_ID:AN006229 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                      	POSITIVE
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
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	20826.04	25007.71	19153.96	15280.92	18615.81	22163.12	19634.02	21345.11	18612.77	29254.64	18044.67	17168.02	11759.12	20286.41	19636.93	22192.59	22216.67	13701.3	15697.61	15462.45	13237.2	19089.91	14296.47	36691.62	24503.88	20774.05	20834.71	29581.72	22731.18	13306.05	13811.75	24872.68	19806.83	24217.02	9692.9	15096.48	30772.52	12961.11	8744.1	19482.81	19455	19194.87	7964.15	16586.23	14092.88	6997.29
1-hydroxy-2-acetamidofluorene isomer	344870.78	266144.53	309377.22	321854.03	248064.05	451769.91	356508.03	387246.75	400762.53	504098.12	319442.28	372716.62	341337	481494	401259.41	246198.44	187180.08	114109.04	145677.45	139106.12	145662.42	185478.14	201932.12	154246	145448.27	138533.08	194376.39	266021.69	239207.52	168464.48	195295.2	185133.12	167760.05	148126.36	177689.36	175784.19	218007.7	141054.48	69606.2	107056.26	200293.02	217516.08	87513.52	157831.02	130836.99	118143.66
1-Methylguanine	154054.45	137635.89	125612.19	98616.37	110220.62	194909.67	129785.03	146822.45	151671.27	200552.39	108093.66	130431.59	108387.15	166729.75	162618.73	138885.09	203085.12	137692.42	148976.69	132762.55	153811.75	169803.27	153604.52	156225.75	112060.62	164615.94	172645.58	282338.62	195278.17	149982.39	143013.83	150921.56	141063.98	158964.02	132699.81	177902.39	181315.67	158089.73	49108.98	126582.71	164193.41	144711.88	71580.2	210104.86	110481.16	86819.95
1-Methylnicotinamide	226091.92	118815.62	158732.12	121197.4	161574.17	120375.02	233030	164761.69	169461.36	168924.64	187976.08	202022.7	198962.73	257077.52	202713.05	308484.84	424200.88	292173.81	193075.95	164227.62	110962.84	142117.61	342336.5	166231.59	158139.2	261409.98	152522.23	496611.72	269065.78	119628.44	175983.2	151373.64	212948.08	440284.59	142075.7	137827.19	115960.31	67260.93	121008.13	249731.19	124227.38	168604.34	111935.66	232041.75	237191.64	137748.92
2_3-Butanediol glucoside isomer	306288.31	214911.08	249571.77	230364.58	69097.26	219947.73	219941.38	377630.88	169853	334115	181103.45	246454.23	141523.73	260187.31	239890.61	91677.34	153678.19	158555.33	202299.83	114687.47	220801.75	177422.5	167358.42	236598.05	210237.25	380434.28	1017570.5	261371.08	257425.17	292298.22	270716.28	169776.86	303965.66	138913.73	126372.4	249592.88	358673.12	110544.19	84582.85	129306.15	12623.81	19500.3	23833.1	15113.91	16177.62	21073.03
2-Methylbutyroylcarnitine	581438.81	442458.75	467543.16	418335	328536.12	854685.81	366576.72	616028.31	684103.81	924366.69	475474.12	444784.38	415877.5	715532	648463.69	725240	475150.78	294388.62	453078.91	396070.59	703058	604256.06	459621.84	533138.19	391209.09	802515.06	502245.16	750009.81	740202.56	432536.09	572762.44	558183.19	702120.81	560994.25	483098.25	702479.69	739699.19	517911.91	211590.25	676381.94	623187.06	504793.88	359319.62	519009.47	515173.41	430176.34
3-Hydroxyanthranilic acid	233973.67	404149.59	283114.53	319592.97	198885.44	153429.08	233370.33	251964.8	399207	303458.12	200149.95	202527.38	221587.05	226367.73	344290.22	137499.45	247340.98	226301.56	228648.12	224274.75	241564.25	246632.62	245929.56	252561.89	181800.42	207857.88	331052.5	215432.45	251921.31	180407.05	190446.64	190938.05	165048.83	113739.18	309764.75	215341.92	186017.27	201149.36	73337.38	132771.97	192104.86	216042.44	138626.78	208602.33	113873.02	90637.46
3-Hydroxyhexadecanoylcarnitine	52845.75	44126.28	48732.68	17194.43	41132.85	84610.66	19101.6	16538.72	29250.24	51528.33	27574.46	30746.09	59975.91	27171.46	54188.33	69037.16	69409.88	33495.09	73802.1	45297.86	45103.92	59340.2	65702.06	29198.26	21350.97	39918.11	61727.31	46142.27	68632.76	58387.68	29877.48	12364.67	16752	36895.94	55476.98	41484.99	13174	46432.61	32987.44	54193.97	64336.81	33353.25	67765.05	121182.79	28768.08	72424.22
3-hydroxyoctadecanoylcarnitine	56052.57	71713.57	55886.56	34607.64	57883.86	81269.12	48156.22	48011.14	56472.94	73862.34	43438.28	57829.81	69908.52	68417	63102.38	103684.5	114639.79	102010.94	104883.98	101990.59	67062.18	116676.43	65455.31	90319.29	43929.36	77755.96	73711.46	134849.89	88093.22	75256.95	90979.19	125779.51	45407.38	82231.41	82959.32	32743.17	44220.74	100594.88	47292.81	92257.95	77977.05	82750.47	54500.34	111044.43	59312.53	48163
3-hydroxyoleoylcarnitine	43025.02	92949.04	84356.09	49394.98	66639.99	78289.38	72342.11	52962.31	43661.29	88270.81	37802.88	23147.33	91882.24	60817.02	95840.41	78407.01	63450.26	51078.75	105801.82	114678.02	54942.9	109424.34	162862.19	92698.73	101378.16	115582	83804.6	73000.2	119817.71	109953.88	55084.2	37183	15332.48	50282.75	77341.82	77375.93	51159.92	60559.68	59384.46	87337.62	156189.47	80787.19	133325.2	160255.17	61163.25	147271.55
3-hydroxypalmitoleoylcarnitine	59837.25	81624.77	77556.73	25889.36	54923.59	56568.62	28453.67	39405.22	34374.27	70821.18	8228.67	16344.54	45090.24	53500.69	49800.81	46961.6	66640.05	53928.89	55939.48	92588.87	39395.78	87638.6	56893.39	54738.79	36651.09	84815.59	58212.27	23184.59	123658.47	71276.97	21927.25	14729.15	18438.74	17638.91	55352.12	62526.32	53782.75	69542.03	41330.61	71548.3	94505.82	59342.85	82756.2	106530.48	41892.66	102633.16
3-hydroxytetradecanoylcarnitine	47408.55	33210.77	43807.09	45349.92	48151.28	37634.18	26541.89	14450.9	31490.33	47706.11	17899.34	23974.75	28702.09	26939.7	38991.76	37085.02	42987.12	10642.67	37046.85	56482.14	35480.9	78429.07	44136.48	29320.18	17499.28	48439.21	53145.98	8012.3	91807.44	27077.99	43216.71	30675.94	4104.18	44293.92	22446.34	43178.43	17083.63	30511.66	15241.31	30130.8	84648.51	30405.55	63406.69	80052.68	16309.3	48214.14
3-Methoxytyramine	52715.82	11859.74	16088.84	43598.12	16484.13	38640.91	123856.9	32814.1	23607.89	55349.66	87349.55	43102.74	23161.69	25434.63	36574.7	32397.02	24720.02	88444.6	17367.7	17744.87	30653.73	21080.6	35143.36	69165.3	15978.34	46395.11	27999.31	68509.59	36950.09	50296.91	40870.32	32096.1	41368.73	31525.67	28336.66	57800.21	44604.61	26476.05	4839.26	16038.41	65427.8	65571.65	79282.5	55617.32	35075.33	28912.13
4-(Trimethylammonio)but-2-enoate	192019.83	213837.61	125736.82	162335.95	164480.34	196217.56	225390.88	166191.2	208351.3	286573.78	157229.69	148181.78	159720.8	160689.73	220113.88	107516.35	117097.53	132085.64	115163.81	106845.69	150369.48	179191.42	118147.77	145333.33	136861.11	143543.12	235802.08	248648.5	153017.19	158111.8	157827.48	112714.38	115095.79	128060.02	99994.09	134011.11	157783.09	106929.25	62550.48	111863.6	124471.81	149027.58	104766.31	171660.73	131278.09	85999.04
4-Guanidinobutanoic acid	850667.19	676414.19	681853.75	548969.19	418983.5	625017.75	638072.88	836395.19	612922.5	938554.06	904355	665556.94	536383.56	617464.5	703108.31	1271122.75	574756.88	268412.34	388462.84	341760.53	288599.22	278374.38	328217.5	450590.12	757480	191249	609606	294438.47	386784.47	296734.53	263840.78	276272.34	400951.53	319736.69	677450.06	270133.72	938553.19	577678.56	431379.38	248270.92	281109	541307.81	172388.61	454569.91	239397.45	458108.62
4-Hydroxyindole	1897019.5	34565.99	1779518.62	1225581.12	826842.94	43813.42	1420401.62	2280381.75	1863917.38	2987744	1018307.31	1252763.12	1245857.62	1894010.88	2425112.75	1459105	1665242.5	399517.34	896245.75	1124866.88	78234.61	29909.49	1651870	5840.99	93770.59	621728.19	12734.47	1222267.38	1277060.38	43491.1	1057658.75	43205.07	814839	644632.69	886738.56	10863.9	1369200.12	887841.75	926751.06	806433.19	1440334	1570965	957829	458098.34	598710.31	388033.59
4-Phenoxypyrimidine isomer	8173026	3471491	7807886.5	5122292.5	4599526.5	3995908.75	6242241.5	8902376	5881197.5	9651185	5764994.5	9763635	5025859.5	7385069.5	3679660	10435264	4192138.75	3456531.75	6289352	5243492	6151344.5	3620475	8317003.5	3241591	4018778.75	6812744	2843436.25	4080163.25	12880079	6198798.5	8542257	7601204.5	12413187	4212958.5	5934229.5	3647672	7801476.5	2955491.75	4229069	6440661.5	8472658	8261404	4004305.25	4654520	7838444	2282994.25
5-Methylcytidine	45865.21	62302.84	64878.92	84484.79	75951.99	81701.73	87440.74	64598.89	113358.09	107469.43	70644.05	77568.51	81547.88	60872.19	55728.47	79140.79	114210.28	110573.81	100900	164678.83	61427.95	125428.88	83034.41	91357.8	61485.09	110744.29	95027.6	93570.81	130606.45	107941.84	103030.24	135269.53	135660.55	101208.13	86896.72	86234.55	110729.09	64823.87	30424.14	77159.15	84708.34	100134.41	60222.44	58774.29	95191.25	51977.93
5-Methylcytosine	68635.4	62149.67	71278.9	46038.15	65606.05	111247.84	55706.88	76458.39	99358.97	106390.09	55506.75	55384.33	69220.69	91133	123288.91	97190.16	79273.32	70082.8	73320.72	67436.41	73328.27	82921.55	77049.87	73394.28	55427.84	81373.99	80277.72	138345.73	93527.16	73593.02	93150.96	66369.43	76464.7	124629.87	59605.67	70293.18	94110.19	48610.04	19905.16	97715.1	67811.01	61069.89	30393.09	93303.27	47230.79	45595.52
5-methylthioadenosine (degradation product?)	59441.07	58268.42	69767.76	69227.57	80278.63	132296.25	111919.38	91412.85	129023.99	95666.9	66127.78	65978.96	109431.8	174210.17	187886.39	31635.21	67249.37	54574.71	78489.02	79690.64	132733.52	134884.25	145662.44	43013.23	49612.58	77718.61	116049.95	156307.5	101064.1	117710.94	150622.55	42165.87	60265.95	120878.69	94162.59	179321.58	115568.3	127985.88	26851.9	106434.72	68943.51	75992.49	72818.45	230086.02	156806.03	144937.59
7-ketocholesterol	114866.69	172061.42	149915.8	146220.41	106298.25	344129.72	70924.12	207129.11	139824.98	105383.96	107347.05	103828.47	130320.07	103642.65	190752.02	128295.34	130134.32	167997.84	182400.08	211378.48	203585.58	350010.84	182528.38	227674.55	335855.16	191547.08	283102.59	116793.35	430314.22	359659.38	266312.28	211509.25	283980.94	422990.62	115165.85	222273.3	253704.25	65389.92	67122.13	70385.77	137274.45	196586.42	47137.86	178439.38	131776.48	88595.84
acetyl carnitine	153110400	133231520	108743200	105460160	112889312	187592784	140764800	121268968	138058496	193764864	97274336	111349224	129659080	166122992	160293936	203978672	110540920	84260544	90966784	125896360	101590208	148448336	106064840	152883648	122420288	134106488	219465024	202991312	229477568	161489584	133125400	100650888	93617464	118392128	153959936	153068304	195816784	126193176	52626384	126673280	201883792	166625776	112116992	182485120	129090024	120571400
Acetylcholine	3989124	2621427.25	2747283.25	3071537	2029709.5	5847616	4117486.75	5443154	3875915.25	5909988	5090269.5	3861251.25	4036107.25	5469873.5	4863444.5	5952480.5	3442942	1848020.62	1908607.38	1797494.38	2734242.25	2846199.25	2264006.25	3257551.25	2309789.25	3024051.25	4373476.5	5025272.5	3241016	2804806.75	3523685	2979855	2476196	2870734.75	3860814.25	3000081.25	4072609	2315175	1245806.12	2012225.38	3315441.75	3412242	1573980	3098211	2705773.25	1602245
Acetyl-DL-Valine isomer	716767.19	612836.44	463946.5	359718.16	517840.38	440223.09	489844.41	535662.94	535779.06	720928.31	590277.5	493826.16	397714	406554.5	597472.94	11034.75	3094.01	5078.62	6525.87	7649.78	6173.74	4380.23	5631.29	4551.91	6173.87	3075.57	12831.75	8210.27	6975.79	4729.56	4495.86	3728.89	3223.52	5667.35	12625.74	2940.21	9018.56	4376.63	4103.66	2458.93	3470.08	4309.01	6138.75	3706.3	3806.41	10752.4
adenosine	4130775.25	1863630.88	1869930.12	5274459	209381.75	696630.44	2100257.25	1901066.62	1393688	5569225	2015821.38	10123312	529146.5	1138503.62	472233.59	103889.13	105825.63	699011.19	8247406.5	1525180.5	1479566.88	2329083.25	784497	1507168.12	698514.69	543067.62	2438282.5	927495.81	13035495	1450469.5	2847388	8721960	11163916	800542.94	6069007.5	5448683.5	12081829	466089.03	1231373	324873.59	4944523.5	11772700	1202656.38	610521.12	2986032.75	260899.33
alanine	3301712	3027106.25	3235282	3563130.75	3312310.75	4672698.5	4871569	5022848.5	4863114	5922931.5	5279310.5	5044588.5	4927414	5366198	5753264.5	4873054.5	4849471	3569604	3638221.75	3695295.25	4531065.5	4290877.5	4991416	4565634.5	3132595.25	4498122.5	3785907	10446545	4835829.5	4466537.5	5915626.5	4245460	4989989.5	4494659	3738543.25	4133408.75	5302171	5143672	2441835.25	3412369	3419046.75	3815775	2461255.75	5543770	4083096	3105662.75
alpha-Linolenoyl Ethanolamide	22602.61	25460.64	20347.49	12597.39	14492.23	27102.17	27687.21	67676.85	37589.19	23565.29	14910.99	28713.89	46725.5	59363.45	38979.47	64018.69	45942.58	100246.15	90186.98	50812.83	26946.8	35304.61	22647.04	31100.67	55220.64	37219.91	55007.38	48740.21	98104.62	38161.34	50284.25	20748.06	21514.4	48309.74	29405.6	65444.06	97565.79	15634.81	7473.38	18820.37	39481.58	32286.26	11983.34	22864.64	28570.76	19160.14
Arg Ala	10499.46	8477.72	6947.56	7278.62	8837.82	17547.45	8696.45	12484.04	9996	7872.92	6674.54	9355.72	3345.31	6996.2	7851.71	7069.98	7380.21	11610.28	15490.6	5196.51	6543.6	7801.33	7990.84	9579.25	8024.28	8094.99	8366.06	17201.92	6378.91	6812.14	8213.74	6387.12	40648.1	11385.96	13225.69	9736.32	25583.95	7579.25	3275.28	8209.01	8558.55	10537.75	7454.17	19408.03	9786.64	9563.36
Butyryl-L-carnitine	1363261.62	1803328.5	1115214.88	1002536.44	1035223.31	2922479.25	1613043	1584515.62	2636820	2086689.38	2398633	1933329.12	1304741.5	2045843.62	2121791.25	2283600.25	1861347.12	2095756.38	2655135.75	1454323.88	1638183.12	1989675.38	2264881.25	1936348.62	1539322.62	2022655	1652688	4029446	2712233.75	1657630.62	2566477	5335538.5	5767757.5	3706367	1596287.12	1834335.88	2377562	1533092	576610.56	1518322.88	1969926	1808615	1022906.25	2024666.5	1356391.62	1169525.88
Carnosine	203470.25	116492.87	133660.86	116684.9	82003.47	122109.15	189337.45	194343.27	169237.23	217232.08	169964.83	139239.48	120993.85	223640.7	189967.44	249421.5	265230.59	189371.12	256749.12	184107.05	237047.3	241127.98	256650.73	225746.67	221325.58	256441.8	268156.38	310465.16	329487.72	185876.75	334096	254653.89	235650.33	231702.73	141605.48	363295.34	484539.75	185909.19	113812.37	123488.04	270758.59	251498.12	143641.42	207132.58	218167.61	112160.87
ceramide (d18:1/22:0)	12708.99	12784.55	31777.06	6658.71	32788.88	77247.8	32282.94	41513.07	36595.18	64497.27	11873.88	14949.58	26505.95	21837.04	18489.51	45554.06	35663.38	43278.67	36512.11	47195.54	38562.77	11847	26602.33	10565.02	19521.28	31193.9	25349.88	82504.07	44779.11	27778.92	24116.13	40169.39	24604.58	40608.89	13358.69	29369.97	15571.61	6063.35	8202.66	6046.49	41617.92	10964.46	14730.24	17269.38	28843.16	7218.51
ceramide (d18:1/24:1)	74710.3	67830.93	83794.51	89876.41	113371.46	271308.94	82072.05	149087.77	111303.63	223854.5	66712.27	97189.52	93892.13	75799.23	132428.08	129724.02	108050.04	173150.83	145396.52	203879.31	117934.02	105693.66	118988.91	134783.89	99572.84	110591.75	214782.45	328095.53	266709.53	111278.57	108406.15	65207.49	138616.2	205000.95	73785.03	46276.53	111055.13	32703.04	12238.31	56931.26	155272.5	43468.75	33952.9	68850.62	124271.74	44646.98
citrulline	4501531.5	3549447.25	4948963.5	3832273	2920624.25	5723930.5	6858650	8076334	5477619.5	9292828	7639342.5	7104008.5	4733687.5	6949474.5	7219246.5	5362928.5	5343819.5	3287485.75	5205154	3801209.25	5076164	4713676.5	5093520	5621728.5	4371766.5	4658522.5	6038414.5	5935485.5	5969469.5	4726222.5	6104939.5	5425678	6291745.5	4327050.5	4293600.5	4711026.5	7310454	3716020.25	2028483.88	2727827.75	4082172	4498661.5	2265783.25	3863334.75	4228582.5	2438003.25
creatine	105867880	100445216	124501024	122305544	103178648	163818816	157866544	170137808	168992320	197600656	176224176	165373248	166567920	160422400	191238352	145822080	122693864	88001376	95482904	104498392	131013344	138420976	141201088	143490320	100518888	130041272	132740416	245250288	157864944	137484208	175993600	118921952	147946272	124346592	123041792	127498584	182394496	158225424	80136616	96768104	100717480	115522528	80095392	149244720	103005688	72350888
Creatine phosphate	29015.39	12561.45	16000.28	9019.45	9527.25	60034.66	21037.05	25750.97	37080.73	48038.94	34524.31	18695.18	19588.89	77643.84	63559.52	26904.01	52076.89	27995.48	25839.62	11706.84	49429.44	27999.74	22367.38	51963.17	27900.44	57826.71	52811.46	60965.72	49894.34	29884.01	21984.71	23752.25	49527.31	38874.23	7771.43	113647.44	55733.2	30563.06	23316.2	66944.65	81711.73	51480.33	24745.46	85989.49	50977.67	37760.66
Creatinine	7789020.5	6317357.5	5624734.5	5336316	5686669.5	8482297	6697183.5	8202054.5	7254873.5	9950255	6190906	7142600	5440400.5	7132849.5	7731457.5	5749906.5	6008227.5	5194234	5677057.5	5498974.5	5834148.5	6130906.5	6038091.5	7576424	6146698.5	7149208	9387858	8419074	8528679	6879412	7138526.5	7437100.5	6443888.5	6190416	6113746.5	7434099.5	8660253	5648667.5	2512300	4045682	6558736	6894738	4292626	6496486	5284328.5	3409274.75
cytosine	616981.81	574768.81	617039.19	442521.91	550096.56	812784.81	567138.88	641755.56	884984.69	920789.5	443210.5	458381.25	595791.81	774442.06	959739.81	768181.81	767392.31	699288.06	697025.75	619053.19	682561.5	773905.81	715042.56	765365.5	555707.5	786322.31	698208.56	1095684.62	884209.75	644296	736101.5	701669.25	678052.5	1074588.25	504057.66	664823.56	861426.81	494772.84	212933	846965.69	600889.44	572833.75	359313.53	850616.75	530970.25	462023.34
DAG(36:3)	101558.37	91391.4	55680.98	39699.39	41440.77	62579.85	76953.27	71756.2	46255.43	98494.25	72094.42	69564.82	66805.55	73925.1	97055.9	164441.83	72206.63	73816.85	77830.8	40329.37	28007.53	56607.93	59492.52	45315.33	83725.27	47338.68	65061.06	241224.92	63073.31	45008.06	37222.25	24925.98	30591.66	65395.23	48523.32	72507.16	119017.69	53488.81	28468.48	46714.5	45490.89	35545.47	28814.68	43981.91	51516.34	33289.26
DAG(36:4)	218722.5	246765.61	116808.8	83710.65	73384.05	234274.33	242032.39	283313.47	156902.3	195803.12	190856.67	185800.67	188796.17	252614.75	332394.91	334958.84	128208.85	122136.06	105000.88	77742.88	64150.9	73913.71	84026.76	63797.17	132774.48	60725.86	135816.52	550041.94	92848.59	76510.21	85951.03	45180.18	55545.39	155760.83	76730.22	107218.49	158044.95	102817.21	37111.55	80845.7	50078.28	99384.27	34514.27	97143.52	84906.54	61618.32
DAG(36:5)	84700.59	128751.95	26877.13	25419.13	16685.23	90978.57	121868.65	85581.15	53040.86	78690.5	86330.58	77308.93	63899.56	90766.35	118743.48	55577.19	32022.37	32309.18	23943.85	14632.08	14686.55	28031.42	24899.75	14601.2	25542.94	7445.02	75004.68	98542.09	37327.74	16936.37	9313.41	10519.25	19770.18	32229.65	16326.26	29320.13	40514.5	26553.44	3659.31	17523.53	8077.96	20385.31	21063.5	33899.76	18034.15	11296.27
DAG(38:5)	24776.26	34386.28	24832.74	10844.77	13269.1	71879.96	57514.93	37708	13772.08	50387.78	27119.73	32217.95	23141.76	48277.16	51065.58	63523.64	55057.52	80015.59	68313.23	54625.82	36538.61	29855.58	53012.78	30124.27	35954.96	46524.39	52205.14	208264.36	50398.19	43366.25	62301.14	25071.01	38518.39	76405.25	49390.07	44496.64	77472.49	46797.88	15494.93	35732.45	28581.81	22325.8	19794.33	55087.84	45422.21	30820.55
DAG(38:6)	48128.14	37244.37	45342.41	14818.89	30053.62	139237.2	122232.02	95918.55	49957.73	86117.48	63856.96	30907.38	80106.2	113173.06	122401.97	69137.49	57180.67	63835.55	66137.38	45709.39	50639.44	45267.95	61311.93	22354.66	40172	29416.49	79636.39	229216.31	59622.61	32654.9	54072.39	27821.58	29022.61	89520.53	50038.96	27701.54	93714.31	38188.41	7303.94	24527.81	20019.96	35365.82	15373.46	79838.22	40850.61	32519.86
DAG(40:7)	22423.27	53868.22	14727.86	18549.53	11725.04	51316.12	87296.88	49002.55	24616.8	61561.93	17780.44	35844.94	48580.08	63444.98	92942.28	8953.68	6873.11	7068.45	8538.3	0	0	7236.04	4093.2	5591.26	15100.26	1867.93	11966.3	47215.82	0	5004.35	8664.93	0	5608.2	5868.28	15910.23	0	0	3491.67	0	5489.96	0	4685.81	0	7635.11	1945.29	0
DAG(40:8)	71889.47	82076.55	43003.24	34842.58	21170.8	133757.02	135122.3	74379.94	64195.88	109793.04	50202.07	51693.33	72038.02	104181.55	155468.47	26477.35	6696.28	14681.43	2804	5934.01	10927.79	8778.63	6126.35	0	0	6040.58	7412.97	41311.22	14623.29	5126.17	6516.94	5171.7	5328.13	13342.31	8318.89	9541.86	8583.69	2189.72	4356.51	6912.52	1988.55	10017.54	4972.68	22163.02	10695.89	5444.15
decadienoylcarnitine	70513.34	84701.96	57061.62	44839.59	52057.99	70115.91	85170.81	58451.23	80207.38	79548.77	35904.72	48286.41	87115.53	81028.59	83444.01	42143.42	27067.05	14144.24	26700.41	16993.9	34199.03	39311.3	48801	34697.77	35419.23	35658.38	24583.28	35896.35	43061.38	39857.23	45197.3	22175.76	13044.62	36123.85	38897.8	32451.9	45934.39	32915.15	12067.8	29727.26	53350.5	45171.05	27849.92	44445.36	24271.87	25504.33
Decanoyl-L-carnitine	162848.67	140874.02	102491.04	105301.21	84313.29	108166.28	169089.34	132097.72	110951.68	142648.66	59531.8	89104.23	111367	135162.95	140553.38	246813.06	182029.86	114162.71	136292.11	191865.44	147725.08	212911.95	124970.72	160444.59	209377.44	269697.28	138576	156196.52	266287.34	174298.55	156854.89	84428.74	73583.28	147575.83	133481.62	320838	175972	201094.98	95276.9	192817.02	310634.72	237177.5	162788.34	211849.12	165669.8	264554.12
decenoylcarnitine	301313.72	296364.09	171664.34	197995.75	198227.44	344695.53	315782.16	318346.84	250313.08	248708.7	100803.79	181490.2	264405.69	389313.97	244094.62	432356.25	393703.34	193930.83	316028.31	272803.34	298218.59	574737.75	381322.78	345554.03	389236.78	528628.19	317001.5	337612.91	506781.78	448044.16	327159.56	258994.12	140233.52	297014.78	312941.09	454769.12	441913.41	296249.28	166144.98	367433.38	676067.06	458974.59	253246.95	464955.38	280253.78	384183.22
Deoxycytidine	210959.61	203262	210378.25	149490.03	186236.8	280926.62	187682.67	199902.83	304230.84	310692.03	167625.81	154099.38	204479.67	279610.47	332798.34	252597.88	257920.81	255121.56	217485.98	213736.33	234459.55	270150.75	254715.92	255952.05	182014.7	259188.12	230788.2	368690.59	283760.28	216253.11	273066.78	224176.31	228995.14	365980.88	167473.95	221724	293329.28	172424.25	77851	291360.03	204527.25	193084.36	122296.34	273657.06	183451.77	159780.8
Diaminopimelic acid	42892.41	42283.3	59441.08	37268.53	38352.61	74379.88	53098.73	52475.75	63714.35	74548.3	54076.58	47720.46	49802.24	65510.27	85998.09	31922.4	36287.21	30048.78	39293.17	23448.4	32858.39	40744.9	25696.39	43358.25	20573.29	28921.17	48588.73	57139.51	29273.35	28275.96	30070.28	23754.1	29120.04	32635.02	22704.28	32123.35	37343.52	20516.11	11975.54	29842.46	26739.8	23257.55	14576.92	32092.45	21912.09	16056.16
Dimethylglycine	1083716.88	813092.5	973148.31	841439.81	629051.06	1505224.5	983433.94	1209062.62	939681.5	3820778.25	842147.44	1094484.5	721182.19	1108343.75	1464081.88	821886.5	627723.81	4720421.5	659710.62	1690886.88	779989.94	1387335.12	863229.5	7208705.5	556879.69	1152278.88	1015505.06	963307.25	752147	617781.69	1411468	487308.25	834395.19	667066.81	872577.75	715575	1772903	873750	1644628.5	794291.81	558760.06	1453728.5	557005.5	744709.5	898041.5	775421.19
DL-Pipecolic acid	341425.44	337234.97	358531.22	301181.59	258031.19	366865.75	452542.09	384404.66	480628.09	525601.19	448037.59	479171.84	380543.16	400736.5	552691.12	245977.67	260810.12	172305.89	292703.88	172277.88	278757.75	261144.52	276657.47	372161.12	262275.16	305771.22	499926.5	397835.72	422831.91	252117.52	302067.16	350188.16	276061.06	257029.67	276551.97	365016.09	370486.5	268718.28	89557.63	205552.44	253067.17	283312.62	181558.08	344637.34	215341.56	124207.04
dodecanoylcarnitine	225197.45	242612.83	210052.45	166742.17	132241.95	135670.61	242358.98	162543.19	166610.89	132286.83	71737.07	134693.67	198008.69	218311.42	234834.77	311605.97	220246.12	153988.27	253641.25	284263.31	200087.45	358971.16	180869.55	220786.77	226701.61	352194.88	209756.61	176735.27	541271.06	347299.78	216333.05	79579.26	87236.16	161012.06	197833.69	359786.66	283791.28	307467.91	106633.25	264270.66	402265.38	294787.62	314739.03	268154.06	200397.23	346170.16
dodecenoylcarnitine	170310.06	200949.02	138772.17	93976.84	120599.06	126575.1	115727.66	148489.41	101878.52	147186.45	64010.19	136142.98	133054.48	191208.83	169705.27	192670.38	200466.11	124653.59	157865.5	148377.52	129412.63	312557.69	186936	142992.11	201981.45	222878.3	111917.23	139591.7	308129.72	170045.95	103222.81	58657.45	83324.18	174614.5	149025.14	199094.05	131125.81	193468.62	126354.7	171824.64	285086.03	220299.27	183766.8	222180.58	140148.11	228006.62
Ecgonine isomer	220843	182808.05	174076.44	179091.31	133991.17	294931.5	221182.56	239472.45	235792.92	318177.59	208831.86	227930.88	209059.12	277016.28	223329.89	102067.96	77682.95	65402.51	73546.51	66628.12	66251.63	103362.28	76158	106823.66	80437.6	93860.71	126130.29	121543.65	107867.54	99757.9	112702.52	95557.44	77761.27	87475.77	100936.16	90079.62	105530.05	54825.4	43414.62	64844.76	119538.5	127728.88	57718.44	84192.77	80306.18	61251.67
ethyl serine isomer	430155.84	384875	465417.62	466473.38	389618.59	661897.44	584773.25	686912.38	604337.44	761701.75	680479.94	661675.31	642752.19	570279.31	685406.06	566797.94	493324.34	350788.78	366358.12	395422.53	542093.19	523193	510781.34	543530.56	405223.22	467352.5	522083.09	939522.94	628596.75	534056.69	672901.06	438758.03	601537.75	485419.66	468894.75	548050.75	656369.94	622707.31	304932.72	365141.25	322291.12	414793.16	319176.53	512429.16	358087.78	298710.84
Formimino-L-glutamic acid	81488.51	59271.33	98586.54	59607.55	44078.86	192515.83	76748.91	119481.52	88734.63	145600.27	128479.28	104151.12	77056.74	117912.44	121574.62	63443.22	95603.2	51922.65	81233.03	53262.83	74190.63	87431.62	108052.23	72250.62	48288.86	65330.43	98760	177410.27	91623.48	74390.3	70809.24	73096.99	113986.29	75670.68	66213.83	57987.28	64806.33	75973.32	25107.38	49661.92	87127.95	63946.87	34255.38	89393.82	45458.02	35689.88
Formylglutathione	12532.25	8770.95	11059.39	10133.18	6734.91	29048.45	24958.59	26152.33	38839.93	46553.04	20434.38	20936.26	15509.52	46907.94	40814.24	23567.93	31782.49	19192.93	20714.72	25096.4	36109.54	31747.68	28262.26	41813.43	46678.06	29303.96	43311.34	45540.64	43775.61	39090.62	49943.04	20473.58	40974.54	36851.28	14373.68	37696.39	73225.56	26211.71	6423.55	12598.66	23792.57	36450.44	9125.43	35539.25	27166.9	13294.57
Fructoselysine	10578.04	19259.23	5906.56	9151.05	4840.71	11322.84	48942.54	14435.65	17707.63	105538.62	40073.71	17568.05	9018.01	14874.34	15331.32	9298.07	21815.67	30019.06	10942.33	19928	20118.08	80603.13	14757.03	277983.34	373264.72	67168.4	128850	16074.77	61333.58	13733.8	29796.61	24791.51	69838.4	104437.79	21220.84	23628.73	56917.82	64287.67	4205.05	10377	18171.51	145472.45	22263.14	136368.48	92292.31	7316.1
gamma-Butyrobetaine	3989166	2621493.25	2747466.75	3071568.75	2029716.5	5847652	4117686.75	5443403.5	3876000	5909988	5090278.5	3861270	4036132.75	5469873.5	4863444.5	5952515.5	3443031	1848020.62	1908675.62	1797561.62	2734242.25	2846208.75	2264006.25	3257551.25	2309789.25	3024104.75	4373496.5	5025272.5	3241019.75	2804806.75	3523685	2979940.25	2476196	2870734.75	3860814.25	3000081.25	4072609	2315175	1245813.88	2012362.62	3315479.75	3412242	1574019	3098211	2705794.25	1602300
Gln-Glu	309250.62	267775.59	256891.89	178279.95	192685.69	374248.66	340312.78	368423.75	358416.5	474073	266872.09	315408.06	315773.34	474343.53	432012.09	270627.59	424517	277567.38	327390.91	196856.55	251075.33	296653.62	283343.84	281967.59	186323.12	291671.88	244326.12	220238.11	309616.38	240299.2	230553.31	242570.94	263455.88	329600.38	184861.17	258084.33	302173.59	123567.66	100705.69	287437.34	305887.53	294162.84	139529.94	346290.78	262663.12	195873.42
Glu-Ala	81081.69	77916.34	80533.04	48838.18	69194.04	71877.96	89976.66	90269.53	99639.63	136453.2	79422.44	80014.55	77583.38	97447.53	116974.3	58333.68	118914.09	83652.3	88221.74	52018.62	67116.82	61431.61	91164.56	76461.46	51015.32	95325.19	43738.16	168308.14	65390.77	66165.71	78024.3	67252.29	82941.4	107257.72	38406	61520.93	71580.85	62952.18	32176.82	96151.19	60161.31	62141.96	33056.89	124705.5	67953.44	67345.72
glutamine isomer	20921.72	19862.78	21754.11	20780.72	21268.66	30890.11	35703.38	33941.43	35507.46	39579.53	30049.88	40128.39	33894.98	42171.33	42995.73	10676.99	17759.73	18326.91	23690.03	20324.1	25059.15	29546.89	29496.88	20957.93	16905.64	19702.71	24532.13	27750.56	28494.73	21691.85	24807.85	15748.88	17411.16	21041.59	26462.18	23921.26	23686.13	18105.21	6459	13101.94	24163.24	21203.55	16189.54	36000.61	24532.32	16345.83
Glutarylcarnitine	76968.52	57613.53	64570.83	55523.72	44842.58	135931.36	77928.85	83448.99	83700.41	112460.13	70866.51	78610.48	86307.93	92407.66	120555.41	97190.46	130319.91	65599.4	83855.87	79946.88	107073.15	163589.19	126650.15	128070.21	96348.16	112472.85	157346.09	162942.95	165637.77	89894.46	149836.27	103435.87	86737.13	99305.48	310963.16	125194.5	124451.9	113472.9	32771.29	67240.87	154926.33	182531.39	93122.81	139995.83	104799.15	62031.11
Glutaurine	11411.45	9155.39	8973.41	7485.19	9424.31	14757.19	14463.15	16798.52	15203.45	17609.01	16339.76	15654.37	13536.51	12543.17	16873.53	19349.17	20995.3	14380.44	17493.64	8324.04	13086.09	12415.23	20979.3	17711.45	10280.29	14378.88	10559.28	31820.88	16125.85	12271.86	16926.37	16065.53	21345.73	21876.53	8901.04	9256.84	14064.59	14121.71	9026.13	14994.6	10320.39	11062.7	7372.91	22708.92	13464.53	7621.77
Glycerophosphocholine	1623466.88	1545589.38	1434765.62	1359842.62	1355499.88	4042722	3371971	3908958.75	4403031.5	6388972	2854008.75	3179514	2713926.75	4951949.5	4808656.5	2374266.75	3682329	2792634.75	3574993.25	3129704	4107078.25	4446841.5	4381358	5873005.5	5699686.5	4272198.5	6172604	6207922.5	6022988.5	4583423	7349442.5	2929261.25	4991642.5	4564612.5	2429702.5	4477105	9682019	2729449.75	823748.31	1879232	2823195.25	3892602.25	1279752.62	4810101.5	3831994.75	1906162.12
Guanidinosuccinic acid	32076.07	29735.44	33081.1	23274.69	18749.21	12411.45	38025.75	24425.9	42305.73	61443.82	27817.54	41767.61	23887.59	37985.8	46565.96	43317.8	26509.18	26134.52	32145.46	15066.48	19715.01	28422.22	30053.87	29782.72	20959.64	25505.01	42882.59	82421.66	32841.14	18285.65	20817.05	42429.38	31713.14	28142.45	19796.28	39375.83	35689.28	64363.82	8370.41	35427.72	27609.42	29716.63	13755.2	48730.27	19217.87	13446.34
Heptadecanoyl carnitine	12190.81	176146.3	13831.25	3199.33	14260.22	623.24	3293.91	8891.01	15370.52	5129.4	3035.3	1508.98	2714.04	3467.19	2392.41	3591.01	9644.84	4032.49	9358.93	7274.47	17149.55	9665.03	7727.34	3601.07	14762.61	8651.52	14159.4	3138.52	19353.15	2926.88	7490.22	3608.59	815.26	8131.15	8629.46	18609	16113.14	88658.05	627.54	1893.47	8484.61	7062.08	0	10873.77	2250.05	6608.1
Heptaethylene glycol isomer	6028795.5	4085153.25	4646975.5	3862016	993164.69	2993618.25	7303912	7877761.5	2681558.25	4810248.5	2233773.25	4324637.5	2552908.25	4229730	4452390.5	1669964.38	2060598.62	2680695.75	2629622.5	2287451.75	3183393.25	2479284	3025256	3235288	3544928	7836261.5	19183590	3880661	3137294	5041989	3537290.75	2707701.75	5200270	1868470.62	2438569	3590819	3852859	1759847.5	1329022.38	2245498.75	368476.59	761419.69	633611.31	703913.69	732180.25	876696.69
hexadecadienoyl carnitine C16:2 isomer 2	224218.17	203420.02	142921.19	105518.84	157633.86	157830.17	236183.75	174257.75	188024.52	234698.83	42601.51	107544.06	191556.88	245047.86	181697.62	176633.14	143861.2	114892.41	122039.02	236706.06	162103.77	267685.72	187217.45	126412.52	179166.12	259967.62	143881.69	174963.75	360853.22	274326.69	146840.17	63567.98	54873.25	188292.31	113314.76	195129.62	122771.25	98164.45	52273.07	201136.56	274900.41	138271.92	179194	436151.28	125008.81	210947.31
Hexaethylene glycol	14391863	11849544	11485808	9237332	2602043.75	7038014.5	37524012	17915544	6230916.5	13230384	6202938	12862408	6566889.5	11170435	10601309	4601102.5	5139818.5	6578872	7139850	6107608.5	8376886.5	5978280	7265376.5	7589944	8526037	18513662	44383400	9965278	8056764	8904472	10299029	6592926	11205939	5499461.5	6258828	9104577	14688044	4322946	3231692	5412283.5	817538.75	2143795.5	1577779.88	1337053	1535778	2796295.25
hexanoyl carnitine	353465	408885.34	250605.23	195207.5	248285.39	406862.22	306346.28	320990.59	297949.09	316079.03	100660.09	200964.92	259079.67	465804.91	339640.09	601148.69	586275.25	274981.47	406663.5	482871.75	362808.62	582781.75	338064.22	346655.22	499545.5	618765.44	573908.62	440224.84	850494.06	585942.56	432257.91	199178.33	193783.58	418405.75	424251.88	567995.06	594875.06	430347.34	167143.22	431254.22	705959.94	526724.81	284066.66	576633.5	327896.06	536095.25
Homocarnosine	45158.46	26472.7	31288.62	27291.69	24597.38	48686.99	45594.82	39819.6	38223.61	54076.75	30594.77	29235.4	31216.85	59396.4	65340.23	46730.26	41485.68	33250.7	40761.32	36077.72	48953.74	60536.94	58128.61	45872.18	37950.46	47505.07	60795.42	71342.16	71809.78	46820.86	63914.6	50942.03	42169.4	47554.38	43264.38	64123.24	95134.37	41931.36	18718.85	29333.18	48795.83	43177.91	27626.41	61942.21	41543.33	28885.31
Homocitrulline	75898.7	46157.72	38390.12	39538.97	27826.68	46986.1	40773.53	56264.6	68463.04	66759.87	72015.66	63355.97	50817.03	28965.71	33123.82	55440.24	76003.1	113304.88	87758.52	96819.2	71403.37	79572.1	94106.79	156243.95	137015.8	142035.36	155994.14	152404.77	176499.77	200384.06	169400.14	189650.45	224751.75	92331.99	74051.72	128102.59	145594.91	103366.72	28867.03	46929.18	40843.43	74891.13	27801.07	48276.58	47286.14	27951.84
Hydroxyaspergillic acid isomer	141352.67	115050.18	107087.69	85640.48	97824.34	188881.3	123007.47	112413.73	146451.8	141587.39	100751.54	97855.77	95811.56	154134.02	165232.36	165503.55	151875.88	132958.61	147424.97	108073.34	161192.19	161645.19	140188.36	174210.48	145699.95	179456.12	225160.89	239621.05	158523.95	138125.55	158121.66	140966.89	121536.53	164143.02	127485.53	163177.45	167184.48	112527.26	52139.47	165723.3	153226.8	153912.14	87766.49	172295.36	128330.88	91153.63
Hydroxybutyrylcarnitine	955540.81	1113178.38	804025.56	572318.62	794359.69	1202567.25	876509.44	579881.06	926678.94	1086714.88	465403.25	588430	696297.69	995691.56	1179516.62	1346166.62	847956.31	529628.56	717543.94	824009.06	660135.5	1143805.12	754149.06	922953.31	638835.56	870670	2208711	1333709.88	1444951.88	989450.69	679823.81	770411.69	626982.5	714941.19	772928.5	825003.69	870547.94	788228.19	469714.41	943663.06	1736010.88	906613.94	889605.31	1755740	791417.69	915783.44
Hydroxygaleon isomer	202562.94	30141.8	31640.13	63475.5	36494.82	32215.45	31102.15	31472.47	25295.63	32810	61739.17	49737.58	30520.44	22473.56	24737.39	32909.64	25340.31	34950.84	29957.15	37598.11	34287.95	41404.58	32322.38	48473.5	35269.17	26232.66	53605.31	53549.44	35183.21	34641.74	47039.21	32784.89	28024.16	30335.9	51361.84	36642.88	525286.56	23021.66	35829.83	32067.85	40611.86	35659.34	32180.53	39209.93	23680.23	35215.49
hypoxanthine	2012940.88	3250025.25	2387363	1267163.38	2020459.62	2560077	1731801.38	1796788.38	2011026.38	2000255	1138884.25	2500181.25	821665.75	1423059.5	1506139	2170248	338835.72	1953113.62	1952461.5	880913.5	2462522	1262735.5	1787913.5	2548376.75	1463207.62	1901176.12	4240949.5	2397926.5	2039425	2844422.75	1684027.62	2114953.5	3030461.25	1791038.62	3409335.75	3097691.25	1749595	400980.41	490046.25	2764553.25	1174947.62	834106.31	929219.44	2113879.5	1658638	1475302.38
Imidazole propionate	1307780.88	451138.28	539297.19	420751.41	329816.38	677401.69	338839.09	658194.94	746334.75	606374.5	462903.66	431675.62	312301.41	449477.66	636863.69	553730.94	1079852.5	433950	512422.66	458010.59	551870.06	683613.12	600631.44	585144.5	364832.75	464475	649149.75	604652.75	678357.94	443179.5	452363.5	595206.31	494981.66	430929	407529.78	295941.97	419180	390294.47	258501.36	242950.83	473268	550561.94	220263.8	313239.78	252779.95	184756.8
Imidazoleacetic acid	81502.29	54174.59	75187.48	64588.95	53724.73	82484.66	59157.82	108861.79	85402.52	119942.98	76372.62	71095.88	68424.01	89921.45	106323.23	47653.14	73260.96	48931.58	76767.97	48512.63	34750.57	43477.16	81356.91	61873.83	50151.46	56279.97	51770.62	94473.41	71345.3	58201.34	53028.03	54412.55	77139.66	79562.01	58047.61	33999.63	63053.05	69032.68	21190.38	49330.36	48569.57	69323.68	26461.12	62320.63	39529.34	26870.49
Indole-3-acetaldoxime N-oxide	6685619.5	4671147	6632508	5034839.5	3213846.25	7597828	8317314.5	11171967	8386500.5	13836525	11825760	11954292	7356288	8078060	7895960	6522301.5	5467760.5	3457202.75	8218339.5	7278327.5	6667518.5	8004085.5	8639088	8388441.5	7174475.5	4661113.5	6400246.5	7437988	12962183	8784582	7881696.5	9556201	10834612	6282858.5	5231958.5	5574502	13255348	5306052	3694356.25	4739654	7203097.5	6463545.5	4026416	7679473.5	6872275.5	2851037.75
Indole-3-acetamide	827471.81	2424370.75	1080430.88	718176.75	594573.69	2195988.75	1246256.62	1766112.62	1448920.88	1621107.5	1651549	1545753.38	1349941.5	1279401.12	1211276.12	1381197.5	982715.19	643222.31	932999.69	1046262	1646182.62	3445820	1385821.62	4244200	1190117	713231.44	4117199.25	908063.75	1480981.38	2248610.25	1202150.25	2753694.75	1332309.38	1051843	921996.31	2687940.75	1479003.5	940240.75	534074.75	781240.56	973961	953286.69	647816.44	1110680.62	1125618.5	590211.56
Indoleacetaldehyde isomer	25659.15	331.15	72367.96	30564.74	31347.5	576.75	39267.28	76384.15	39536.12	76205.96	801.85	1460.41	4067.1	65525.07	13646.05	102687.02	16373.56	366.53	39553.49	23274.52	1148.18	933.97	64769.76	1049.03	842.25	4286.75	794.7	25329.54	124520.41	1191.71	97743.72	1096.71	38580.94	23974.52	64267.31	811.22	86108.43	13605.68	15585.88	56386.99	90663.07	91030.03	35174.13	13635.68	12141.95	4481.48
Isobutyryl carnitine	1360735	1802354.88	1113544.12	1001227	1033756.19	2922479.25	1613043	1582933.62	2635377	2085263	2398633	1932284.62	1303340.62	2044201.62	2120115.75	2282063.25	1860034.12	2095756.38	2653959.75	1454323.88	1638183.12	1988477.5	2264260.75	1934767.12	1537820.62	2021368.62	1650110.38	4029446	2711111.25	1657630.62	2565318.75	5334294	5765890	3704808	1594962.12	1834335.88	2375563.75	1533092	575844.19	1516858	1969926	1808615	1022906.25	2024666.5	1356391.62	1168592.5
L-Carnitine	365167328	256448272	258438864	288908768	193043824	419276128	333788384	362146464	333963904	451936384	377471520	333722528	332742880	415024896	375654912	383081824	335891872	218860224	242815760	216281904	295146592	323960352	275544224	363081952	313912416	303444768	323238816	497907744	359546080	271790912	396645376	382083040	322533760	312271008	370714208	309015520	460087200	270182016	141324304	235612288	343335776	415419360	169053040	300043424	301645472	193109760
Leu-Ala isomer	213404.73	130252.15	160651.7	119666.98	99197.59	115740.02	172432.5	180376.52	167301.94	155374.42	131874.56	135085.11	163392.06	187426.52	241362.8	170637.08	100526.74	100531.52	119123.94	117938.27	136617.64	149775.58	80611.29	130457.71	117044.71	145295.84	167203.81	193392.7	187818.25	119509.23	185187.86	100690.53	119085.21	124692.91	180499.86	117557.57	162893.27	70849.98	59576.82	123203.41	112955.35	123859.35	88187.6	118558.3	97085.41	82285.02
Leu-Gly	117797.12	126229.38	127512.34	131136.08	101348.91	171374.08	160281.8	147565.39	136753.3	210072.31	184828.75	164621.12	119379.47	140509.81	192380.19	85694.74	107334.78	79117.78	79534.68	57308.14	74869.43	94689.07	93739.99	141618.53	104819.4	93538.21	132756.83	123427.98	92779.15	84384.47	87714.74	120449.29	93444.28	113829.62	88435.77	113440.71	142799.73	99987.75	31024.8	65842.96	84431.88	132065.7	41940.28	118810.41	82055.27	51960.44
linolenylcarnitine	27498.83	0	11916.21	423.99	18966.9	14470.04	37369.87	28871.91	12995.95	0	8424.46	16353.45	25157.16	25863.41	23647.96	21338.64	15795.34	14905.49	16323.11	24048.38	12747.53	25312.68	20390.68	18361.86	16262.77	22366.83	21903.07	20738.19	39461.36	29564.15	13925.04	9802.32	7394.26	17544	12070.74	21200.48	17468.12	12121.41	6011.37	18876.4	30098.02	14891.05	19926.14	41196.09	13597.14	18071.12
Linoleoyl carnitine C18:2	440801.25	447551.28	330118.09	251509.44	373584.28	406401.16	462393.16	334090.16	411321.09	471208.78	113570.27	211497.5	395688.25	389417.25	410465.03	407958.09	333743.28	277443.59	318999.62	520817.12	329471.06	583323	437780.09	323099.09	373535.34	527468.44	356140.25	406880.84	759250	570886.19	290299.28	164634.12	134322.52	387101.16	265560.97	367900.25	278163.53	229717.31	152508.23	427653.25	554010	317734.34	399978.72	823759.5	302203.97	475021.78
linoleoyl carnitine C18:2 isomer	75677.84	161532.69	91135.35	53302.64	68202.41	91607.03	109055.78	90135.15	116959.34	159631.17	41958.55	75707.8	87453.3	105621.07	108298.69	103727.68	105374.85	50171.79	167777.95	144144.72	67588.59	211906.61	139676.69	58203.6	133520.25	100306.54	109051.45	67825.9	304438.34	169402.8	74938.7	41910.61	51539.64	119291.44	89273.49	97071.44	192858.88	70306.3	40954.37	127862.62	199352.95	78511.26	116654.41	246258.58	88886.96	142327.92
LPE(22:6) isomer	1423845.5	2172648	1745491.38	1839073.12	2550496.25	2681505.75	1630257	2207479.25	2318029	2540771	1663646.88	2076106.5	1847052.62	2325300.75	3522654.25	3572965	2559923	2062449.38	2369137	1813894.38	1839220.62	1497936.12	1802207.12	1977199.12	1697806.38	2265317.25	2423884.25	2930735	1550045.38	2268611.75	1944470.38	1985787.38	1983960	2703603.25	2708353.25	1388049.62	2228343.25	1301181.12	1378193	2906356	1837783.5	2080131.88	1202765.88	3029671	2447305.25	2134164
L-Pipecolic acid	316162.5	239271.5	293228.53	298644.62	210447.81	512528.41	444741.25	617453.56	450882.38	654366.5	602652.06	497290	371626.66	481539.34	517575.84	914727	755460.56	514819.03	619509.81	521119.09	525378.56	481108.16	777033.19	862724.75	592437.44	751669.44	545264.25	1089644	671076.62	655734.62	869775.31	704263.5	979333	691354.38	542623.5	641541	965231.5	634654.31	258494.19	363598.34	513447.59	551787.94	279562.38	581082.31	505169.47	280124.19
Lys-Gly	95366.06	163408.58	101339.48	72355	130884.04	146320.56	75640.52	77619.63	189580.58	98422.41	70685.08	63851.14	91043.71	117701.88	214816.69	77024.73	104526.77	181276.75	198776.55	118503.51	116530.48	141757	132663.95	122748.71	101877.25	137000.7	168455.16	328009.47	189642.8	120104.1	150938.5	177187.5	155591.55	213752.3	85645.59	128250.27	193032.73	137730.56	15265.11	249737.2	81679.66	86098.57	44183.52	194032.67	91804.96	71504.84
Lyso-PAF C-18	274008.06	210903.31	207780.55	268440.88	252838.83	520819.53	259401.31	333615.22	267764.91	351710.41	248461.27	272386.06	307819.59	363734.38	430167	280076.09	264274.25	218941.62	176094.27	345120.03	272930.88	370090.84	324267.72	269842.62	279801.72	246894.7	309515.22	318845.47	525473.06	319012	330161.91	282327.5	296867.12	331011.91	209634.45	237168.38	197914.88	231583.8	196213.44	272909.78	268390.66	283067.34	182687.8	197283.94	254479.77	182686.95
LysoPC(14:0)	2094673.88	2080211.5	1917069.5	1509641	1864418.88	1725678.5	1869545	2368472.75	2646670.75	2930792	2049968.38	2273084	2384008.5	2708369	2352422.75	1846357.12	2894476	2464313.5	2857095.25	2253722.25	2258616.75	2602934.75	3265312	2610286	2456481.75	3032980.25	2428947	3414749.25	3526955.75	3250970.75	2981171.75	3359919.25	3643321.25	3522637.75	1957815.88	2847956.75	2830047.25	1792304.12	1255807.5	2448159.25	2873765.25	2713790	1389900	2898109.75	2691397.25	2056170.12
LysoPC(16:0)	9200809	12234664	11191177	10041080	7237269.5	13676904	12205983	14090664	12956255	23101194	17467518	15417561	9511755	18677648	16808842	12640501	13044995	11596193	25056578	18533642	9301129	15656680	16887754	11021929	19353226	9675717	19206250	22428830	25170112	18423714	17716628	16938728	15256139	15680411	10017964	15536088	64548208	8617612	6984959.5	9816261	13677227	9421301	7503986.5	13633331	11269308	6217188
LysoPC(16:1)	114446.1	246477.45	175917.31	139360.56	84934.29	166188.08	213222.2	227021.38	233331.92	298472.28	291815.41	262057.3	140382.48	306830.94	220520.73	229523.42	342858.5	292223.5	840488.69	445390.62	183180.17	274982.78	432222.59	275767.09	445010.91	225772.67	497539.25	399360.72	645860.25	510860.12	390912.16	561369.81	546698.75	320351	209256.39	409414.09	1587989	178568.31	141185.08	151897.83	375894.12	231337.11	125962.2	258537.89	255294.42	126641.4
LysoPC(18:0)	7260892	7910725.5	8346114	7674622.5	6127445.5	14904365	9591043	10149546	9826567	15135784	12141352	11261688	6985852.5	12196691	12536776	9973508	10075735	9398511	18178330	15399693	8487704	10936429	12767231	9014985	14568248	7464260.5	14502031	17699878	18266482	15901621	14758903	11276549	14208072	13192577	8097135.5	10796361	37577412	5975122.5	5609369.5	7900264	7994578.5	6262452.5	5736613.5	9970911	7529538.5	4887015.5
LysoPC(18:1)	53642956	66143916	57416988	52223252	51706096	53581308	71267416	65986700	81157704	84635328	63841012	70188912	68815464	79586552	78506616	78264576	110928808	106049536	130426456	98299032	109681920	120665752	116667944	107333576	110068568	107417376	99284328	104804504	132040616	121477032	117789224	128456984	161049488	129462328	77542824	96478104	96311168	69224480	49112564	75736120	98412864	115211936	62242308	96228552	105842592	69097816
LysoPC(18:2)	7125971.5	9927591	9281237	8216681.5	6499939.5	10677030	11724860	12586727	10625149	20979330	15423605	14371896	8985543	15243411	11990117	9188687	11580028	8204838	17952938	12328031	6896527.5	10689251	12493856	7595369.5	12827867	7763566.5	12218591	14525749	16737696	11799641	12114160	13120272	10371053	12055204	7492017.5	9845893	38595032	4943894.5	5040993.5	5969648	10259291	7779248	4417460	8249312	8801533	4454701.5
LysoPC(20:0)	890688.81	757046.69	955465.44	764835.44	724261.81	1057872.88	1016773.44	1129512.12	1135620.5	1266289.5	834841.81	1148413.75	1112833.38	1012909.19	1052331.12	1194262	995298.25	668137.56	982450.69	942051.94	913663.75	1226313.12	1017322.31	952797.81	899896.5	942164.75	874834.81	1097177.88	1264317.38	872944.5	1076041.38	1232202.38	1059276.12	1123690.88	887982.19	822479.69	700993.81	390645.91	468123.72	687658.12	1109213.12	860936.06	688336.44	817596.44	896314.69	646386
LysoPC(20:1)	82970.07	124390.84	91996.72	97492.35	54397.39	123143.27	117680.94	160038.33	136821.91	207998.19	161562.44	122974.91	115640.51	231480.56	115257.37	186632.36	204843.42	143830.77	216364.81	168514.83	137646.69	205394.62	206938.38	140936.36	200105.52	182374.52	169154.86	160354.61	326805.78	185709.08	234513.8	237182.44	252105.7	160049.73	125768.7	152189.55	338764.78	76472.63	78402.75	116269.88	211195.42	157558.69	88201.03	129906.2	149021.5	86142.9
LysoPC(20:2)	1485660.12	1915750.88	1680148.88	1532941.5	1359678.38	1599165.38	1835567.38	1956979.38	2200025.75	2772873.5	1572039.12	1905400.5	1883306.5	2760675.5	2518232.75	1971306.62	2459472.5	1659455.5	1837940	1437853.62	2017524.38	2272908	1865085.62	1696122.62	1515820.38	1603069	1115858.62	1795925.5	2283142.25	1473637.88	1855354.62	2127610.75	1887098	2303773.75	1960395.38	1231449	1188214	804569	872420.44	1803437	2814020.75	2438380	1257902.62	1582155.5	1585046.38	1749715.38
LysoPC(20:3)	517850.97	775153.31	746715.31	740611.25	341269.97	748142.31	941725.81	873362.81	875092.19	1576282.12	1041860.81	1091963	631388	1102730.12	972532.81	503499.03	1002441	650171.44	1623117.5	961795.31	530206.94	915773.75	957876.06	622099.94	1025989.44	615413.69	747761.69	770873.5	1564815.12	852301.5	791145.19	1162676.38	965636.06	867995.5	635811.44	741032.06	2068237.12	306933.88	333703.53	330027.5	1175671	658753.81	404806.16	455805.88	561692.06	328477.12
LysoPC(20:4)	2477033.75	3464691	3119694	2874340.25	2271608.25	3131279	3854537.25	4347156.5	4210192.5	6608545.5	4813914	4952742.5	3279979.25	4993117.5	4418660.5	4548029.5	7080681.5	7645253.5	15639911	11126080	6488520.5	9454436	9219493	7819344.5	12827236	6393592	10808492	8145364.5	15923304	12008192	10307699	10174664	10751072	9544979	5076312.5	8714510	29517878	4057420.75	4198964	4445770	6708442.5	6651326.5	3856092	5739454.5	7067217.5	3416730
LysoPC(22:0)	373121.75	238520.55	389248.25	358880.38	318440.09	256936.61	315713.78	419051.34	486326.03	562385.94	350712.16	389392.47	300470.53	347446.09	269418.47	597156.75	396945.91	100111.54	363665.34	375104	337588.84	432931.62	376168.97	149699.23	273825.25	343807.16	247722.98	499422.22	179709.58	254254.42	307405.97	471776.75	367675.72	160270.38	288232.59	266350.41	340107.5	193616.5	209633.5	289044.91	328443.47	306214.5	242864.17	328208.75	323614.88	219231.92
LysoPC(22:1)	206133.69	168331.94	55687.06	170822.88	76527.99	79954.55	145179.3	258217.19	112633.06	47499.06	173140	170508.92	181950.14	176128	165673.62	261918.3	213237.17	162281.86	108918.09	163254.05	196797.88	192702.33	110150.31	132620.8	251867.38	236972.25	185307.36	227713.89	202287.5	69777.1	263884.72	186540.86	166493	77968.45	191281.05	86464.87	209938.88	99724.99	68600.91	175193.33	142305.66	168361.47	140625.3	219207.39	75355.13	68447.79
LysoPC(22:4)	234924.27	190161.61	280922.53	260126.77	157671.58	130150.41	227874.67	287558.88	269452.66	386185.41	218618.39	173549.06	196026.75	307005.72	309228.75	938582.31	1114286.38	834978.56	1113166.5	1062202.62	1152615	1352852.88	1164543.12	927400.44	1088775.62	1211551.38	771005.81	1299277.62	1473784	788581.31	1266557.38	904458.5	901897.5	1647740.38	1036357.56	817521.25	634632.81	646984.38	367002.75	726208.81	1009862.75	909087.81	437607.03	898663.81	1019558.31	560624.19
LysoPC(22:5)	1539977.12	1262833.88	1893067	1768032.38	1319909.12	1267094.62	1928809.62	2235511.25	2247357	2265965.25	1624743.38	2003049.5	2056580.5	1811221.12	2885762.75	3762816	8047558	5855827.5	8260259.5	7558656	9162125	9076735	9260263	6520280.5	6271949.5	7988917.5	4519424.5	6910544.5	8607802	4521888.5	6337104.5	6022594	8017867.5	12432255	4614752	5280201.5	4923033.5	5201246.5	2268439.75	4784376	6902140.5	5495910	3011722.25	5612053.5	6243242	4438792
LysoPC(22:6) isomer 1	2072581.88	2703458.75	2512625.25	2310947.75	2087117.5	2745077.75	2979774.25	3485048	3170258.25	5565862.5	3437923.25	3684007.75	2458892.25	3825853.75	3883181.75	2342231.75	2636371	1963022.62	4331362.5	2974099.75	1816138	2520426.75	2544772	1924950.5	4002793.75	1991727.12	3262858.75	3680242.75	4300165.5	4360834.5	2439234.25	2722280.75	2778782.25	2833503.25	2150238	2640439.75	9876124	1234500.38	1383372.12	1593026.38	2078065.62	2091667.12	1227579.5	1979164.38	2188458.25	1309977
LysoPC(22:6) isomer 2	31219162	32902854	37607936	29686042	35457184	35607424	38098928	46288292	46448340	52833920	29930010	39636708	40087388	44433148	53012912	32475874	31549184	25066182	31689568	29614718	33742812	32062720	29592378	27440434	42550972	33315912	33687972	39056476	40154468	46086260	32636830	30452296	32701464	39437640	29811770	29340544	41367764	21828450	20470100	25778358	25730262	36325700	21057838	31379642	35696212	28031354
LysoPC(24:0)	446793.09	295709.72	358509.47	375399.72	445882.59	398713.47	441839.34	556203.06	499606.38	586695.81	377352.34	496654.12	471549.09	411971.16	411124.41	699657.81	448349.12	376514.75	426062.5	455671.09	507282.03	521792.16	444462.84	491447.91	466229.5	446089.78	376762.41	714725.5	582634.81	463127.97	453340.53	511477.03	514881.12	574490.19	448718.22	409898.34	301430.41	253019.39	245889.3	407214.5	498544.25	424658.91	304403.56	496298.72	405115.59	247639.25
LysoPC(P-16:0)	307858.41	326002.78	453623.22	282786.34	314691.59	259635.88	309281.75	433124.16	413185.41	509181.47	321007.97	331295.12	400356.72	410285.59	442761.09	411202.66	338453.16	211973.45	156785.86	385029.66	401174.25	366503.75	310602.53	175048.55	318829.12	299607.41	414952.91	498029	503101.41	298376.25	468506	211133.75	426856.41	518304	300304.84	337517.03	391223.62	252820.77	200206	283480.47	336345.72	412037.62	234312.58	382936.78	435856.28	228199.05
LysoPC(P-18:0)	494960.22	504532.09	475333.97	543627.44	491091.91	700314.75	519735.47	672748.75	792632.5	757471	536629.12	635937.94	594905.5	555861.31	820198.69	781722.81	715633.69	616065.06	727982.56	822144.19	757364.5	860394.19	729006.06	773552.81	845099.06	693401.75	865142.81	819120.81	1349892.62	884460	867811.81	758062	798062.81	835656.81	723762.25	646078.31	832751.56	515858.66	390565.66	807140.25	683103	791453.06	545850.81	586880.19	594736.69	539023.75
LysoPC(P-18:1)	358997.38	264732.34	343615.66	372829	389507.16	598564.31	300400.59	448413.25	520078.22	411530.28	248906.42	494094.34	365604.84	391705.28	380794.22	428688.66	287361.06	339899.03	516209.03	464763.28	392277.38	381703.28	404933.09	226872.33	335041.28	304624.16	291604.28	377897.47	447923.25	525385.75	452186.66	382552.41	478403.59	353936.16	349029.53	473370.34	263901.03	297687.91	187147.52	446446.91	445297.66	355880.66	255689.05	380982	448351.25	308257.34
lysoPE(16:0)	2672.3	22782.4	19232.11	19428.48	13091.59	39658.57	11152.31	23529.64	8979.89	21618.65	21397.92	36401.71	18894.01	42136.05	18597.49	10223.61	23969.97	15606.88	21080.94	17894.23	17145.75	28740.45	23893.73	14038.04	22997.15	14431.16	19909.56	27591.65	19350.35	33841.4	9826.34	11708.3	9873.75	20656.47	30732.84	17186.13	51616.11	4482.14	11462.22	8508.48	17345.72	20660.38	22580.34	31345.09	34423.88	17727.01
LysoPE(18:0)	321553.22	357290.59	385400.66	383644.22	279801.62	538596.75	392868.84	411465.28	435350.5	620976.56	514881.88	451176.59	320677	562826.31	511922.97	418640.97	459218.09	354028	490124.84	374459.75	317444.88	369090.16	397232.66	260088.77	399742.75	332330.28	454541.91	662396.81	430488.34	382172.78	472555.12	348857.66	499138.03	426340	354472.16	308982.06	937448	240931.25	249062	425616	347459.03	240467.38	265180.56	404146.34	330068.91	241926.05
LysoPE(18:1)	119219.59	232248.62	143277.67	172165.27	114642.24	154109.31	229003.17	281807.44	197700.27	268573.72	295161.41	254203.52	157519.17	289688.41	229851.06	216677.31	357273.62	278327.06	397332.38	260216.56	176685.3	214959	345564.72	181158.86	206534.5	255118.89	302975.41	311631.53	284538.84	281986.78	290160.47	320489.66	379744.97	303101.22	184398.08	191772.62	464648.84	126722.77	143397.33	180645.8	251918.88	240523.05	122531.59	261841.77	253630.83	150229.95
LysoPE(18:2)	1980485.88	2076160.62	2588942.75	1792494.88	2243575	2510614	2538570.75	3716268.25	3223327.75	3458731.75	2720084.75	3266266.25	2903144.25	2432369.75	2830114.25	3051210.75	3303069.75	2062353.5	1957968	1721434.12	1999430.5	1756628	2828785.25	1788717.12	1434064.38	2457327.25	1659011	2851944	1684192	2112461.75	2209543.25	2420430.25	2727764.25	3488392.25	1827602.88	1542632.12	2069483.12	1500468.5	1028157	2112825.25	1703727.38	1727544	811401.5	2727131.25	2082541	1487472.5
LysoPE(18:3)	46548.04	29655.41	83272.73	46573.03	16404.5	31913.93	34107.55	127217.96	73821.02	124131.38	102401.03	122892.52	67900.25	61779.25	27642.69	21670.94	11055.97	16839.77	20885.44	2341.38	20724.71	31196.52	37361.31	5874.75	19310.39	16263.09	47336.14	1202.65	373.96	0	31038.8	9801.39	13846.62	49954.32	401.2	0	19230.26	0	1018.38	0	9463.02	19490.17	615.5	24290.31	18784.31	8104.05
LysoPE(20:0)	4948610	5059965.5	5598640	3909246.75	4424959.5	4901410	4979907.5	5663692	6638334.5	7789431.5	5210714.5	6921056.5	6112560	5703118	6538719.5	4951931.5	4739246.5	3099408.75	3766030.75	4300981.5	4345188.5	4799878.5	5703846	3556718.75	4103599.75	3514247	3787344.25	4597015.5	5987350.5	4227098.5	4805348.5	4614846	4374514	4739665.5	3677959	3705560	3738213.25	2619439.5	1968211.38	3948974	4274570.5	4745536.5	2887774	4451706.5	3883500.25	4126632
LysoPE(20:4)	178852	276787.78	298603.72	357898.34	328494.03	420031.03	345966.41	486138.38	482043.16	646239.06	509636.12	475407.91	300700.78	497820.41	499207.22	644823.44	934726.44	641747	1239850.12	690922.5	488938.62	623055.69	654236.31	437926.78	654724.5	633564	866678.5	776103.94	752984.06	677834.94	775593.5	746302.69	831344.75	858820	482234.84	551151.25	1395283.12	384262.22	386353.03	572530.69	576167.75	531759.31	269701.41	684099.25	645267.56	363197.78
LysoPE(22:0)	82550.21	99285.7	109999.96	92540.91	55429.11	139486.53	105373.24	130349.26	110053.12	254566.67	177887.25	143626.94	123753.48	163077.45	123641.5	163816.12	144564.19	67560.45	154181.19	153143.52	81262.18	170080.98	135193.67	82815.95	115440.93	64684.05	143172.48	101597.44	199919.19	144226.61	162478.7	166132.3	96783.98	113858.45	110309.43	104062.25	287205.19	30467.85	63455.58	70556.57	133660.89	70842.08	55065.5	81368.93	83389.12	44947.39
LysoPE(22:1)	417032.16	435743.59	418164.75	321020.06	357200.72	368649.88	482598.97	506099.5	520450.97	639963.69	520223.62	616130	447718	481537.5	508402	349385.22	552600.31	371416.66	448008.16	367811.47	443290.09	552454.12	463575.25	430261.97	414509.62	396959.03	351744.38	406254.66	636273.31	441659.03	502113.5	584937.06	442299.75	441381.25	425296.75	382330.5	376609.12	180512.05	209262.5	390296.59	566639.94	523076.84	311879.09	378127.66	443404.22	375991
LysoPE(22:5)	22426.24	47533.58	19284.73	16326.72	42644.79	38487.33	24125.06	22341.38	50850.9	53826.03	70500.84	61556.43	68598.59	24570.81	86308.54	246893.86	471430.34	287374.34	426264.16	382217.16	321028.72	399734.38	418761.66	364603.03	179416.33	429813.91	267629.34	367287.66	266216.28	153145.5	303848.59	342427.12	330072.88	695677.56	131870.23	232209.81	174003.72	270301.16	80044.16	417938.03	240314.17	229868.06	133559.38	442911.59	255215.45	191641.55
LysoPE(22:6)	315015.34	526314.56	354553.09	396476.91	404269.09	653957.75	405436.66	557131.88	474948.22	701335.81	566341.25	570639.31	380135.09	502692.41	805020.31	633146.69	705135.5	497028.03	833557.56	537256.44	355095.41	400616.53	436674.25	327785.28	389097.72	477977.84	768810.94	789217.94	550225.44	718109.19	522959.34	515555.16	485156.75	586835.56	556718.94	363039.09	1034433.06	229870.88	239412.58	611203.5	424964.62	368524.22	242398.58	601679.06	544072.81	341066.84
LysoPE(24:0)	54348.95	33506.62	35351.85	48647.25	61327.38	32513.27	63216.5	93226	31903.69	128491.74	66380.79	108287.88	87559.6	86998.57	16206.36	93130.88	47645.47	31719.69	59064.08	55297.58	24054.44	64579.61	56742.86	18028.81	46580.62	40468.18	43618.5	86505.66	75791.98	35528.69	60587.15	80365.09	11147.83	31580.35	51661.51	27925.16	6345.67	7881.6	0	15289.97	63930.08	40021.59	37178.37	7310.18	27486.52	0
LysoPE(P-16:0)	135192.55	105079.16	123054.69	82460.43	131669.36	177696.45	138915.08	139685.94	155195.36	181541.95	106087.09	97125.72	150897.98	126616.34	129801.35	138962.89	177919.88	101557.4	167021.19	122713.34	152373.94	125754.48	162497.77	144957.62	74072.97	110574.84	126448.97	246772.55	128755.19	181664.42	173562.44	141887.39	155343.7	157917.27	163218.08	117126.66	112378.38	94659.34	92908.62	182748.58	141806.19	84084.19	108805.1	132944.58	153801.14	95503.52
Malonylcarnitine	81875.49	55016	59887.89	46491.19	58060.97	69912.09	47644.75	54531.45	43418.57	54477.74	39047.35	24469.84	55718.5	74742.98	68345.56	72155.46	100192.12	44072.35	51868.81	37517.53	73017.62	53344.21	45048.37	105037.45	58074.84	82606.53	127903.12	105723.81	74685.65	74450.87	61559.97	58292.77	62303.45	73414.29	46015.27	81429.15	22276.65	82965.63	36868.03	71211.05	62374.44	73934.95	45653.93	121961.32	79575.12	63911.6
Messagenin isomer	648886.56	694541.25	461224.41	252044.8	375089.34	992583.25	719746.44	672844.69	585229.06	694240.06	445479.72	546642.38	713775.06	542822.44	533895.25	593597.56	519356.34	1018587.5	935188	733630.31	747258.5	647214.94	485802.38	627445.5	985897.5	525749.31	814202.5	1267155	1074924.38	664571.56	724712.25	543853.56	541811.25	647484.31	357283.34	579247.44	495193.34	159701.31	95899.45	272585.5	246908.45	323562.78	153500.92	468082.75	462210.84	241435.2
Metalaxyl isomer	45604.2	41644.72	32892.64	18483.92	12501.42	170664.23	50137.14	40112.89	24226.16	91299.31	32630.44	37081.73	43684.5	47922.5	124612.77	163403.98	76919.66	19165.58	16941.5	15217.91	20559.1	35927.48	79038.65	29685.94	17516.7	33613.98	24159	57664.25	34132.09	21273.21	26016.02	44057.49	20940.05	12178.2	61193.94	12462.38	47156.58	18464.88	10228.53	16470.29	14344.85	32687.76	23970.73	13761.53	12790.4	10649.83
methacholine	32543640	25214736	23350842	25034026	21586102	63102636	37772156	58894092	38367424	65153104	33428470	38075820	42718492	48029204	38919060	24684814	19931710	10346687	14519791	12612991	13975475	15829777	17402368	18242658	14288757	16710947	19813174	27255906	21501042	15768857	17688570	20312982	21039582	17532296	22063262	20797334	31631024	17921778	9808556	15129167	29176522	31902688	12683853	18460258	21009342	16347859
Methionine sulfoxide	321912.72	256163.58	318764.72	281605.38	244667.2	473530.78	373060.09	500617.66	622674.25	797163.31	641178.81	488739.84	389709.09	419210	532957.56	405740.59	384628	296633.88	396688.47	223433.12	371011.88	266962.53	421151.38	488403.5	528902.94	414932.84	337667.91	788365.69	374399.16	354812	503254.34	603822.44	873235.19	442488.5	257515.38	321183.38	551833.25	260574.58	188812.42	233293.48	200134.83	348907.16	113703.41	379550.12	287725.16	148062.14
Methyl-Histidine	681718.31	503022.16	653134.94	579379.25	467984.53	940471.56	927714.69	927839.25	980439.5	1190356.62	915969.81	907260.19	737689.81	995814.75	933438.56	968923	803461.31	755012.69	1016901.69	836270.31	1044833	1102350.5	1097351.5	1223644.5	888677	991241	1572955	1675990.62	1377793.88	1044220.19	1415673.88	1209509.5	1257524.62	894256.25	655560.19	1138306.12	1715488.38	951206.5	436257.22	713397.81	1016479.69	1153555.38	584797.31	1317549.88	1160820	567217.31
Methylimidazoleacetic acid	1307619.5	450995.88	539126.94	420657.25	329671.38	677299.25	338647.09	658113.5	746215.19	606492.69	462882.22	431604.84	312077.22	449425.34	636729.5	553592.94	1079778.38	433926.84	512420.38	457966.75	551855.94	683482.31	600449.31	585093.56	364571.75	464329.75	648907	604499.5	678172.81	442962.72	452242.41	595007	494660.09	430883.84	407340.34	295879.19	419044.16	390107.91	258351.33	242870.58	473015.41	550450.81	220140.69	313089.03	252716.2	184658.8
Myristoylcarnitine C14:0 isomer 2	269122.84	267256.53	244941.05	172288.02	202368.12	341535.75	297991.78	279642.53	284942	357046.41	85532.77	149630.86	221644.92	275992.91	350801.47	422376.91	338854.47	289815.28	367360.62	578351.69	297475.09	638084.69	475632.78	313844.16	335912.5	486133.09	358726.09	516103.47	936233.81	501068.66	292750.66	195809.36	145576.86	387989.09	221161.69	333655	264842.84	203048.17	120131.8	292016.88	648082	292973.19	342589.53	659123.19	276006.53	311797.22
N1-Methyl-4-pyridone-3-carboxamide	500248.59	881990.75	639738.44	696896	458913.5	375857.5	541251.19	547507.44	882097.75	672443	471297.84	469904.28	521210.72	520102.78	807845	315487.41	546384.94	511184.41	530306.25	510324.03	538325.56	539310.06	555098.5	552039.94	411544.34	449079.5	749230.5	477966.22	568771.94	431189.22	444735.38	434981.38	379382.09	268797.03	695155.81	484359.91	443159.25	450994.62	180088.56	285277.72	423349.53	489275.97	322950.62	456063.97	266386.84	217592.48
N5-(4-Methoxybenzyl)glutamine	406344.34	259359.11	217686	194511.2	188035.06	192570.38	137445.77	409707.28	230885.36	284322.03	243748.92	243411.27	138334.2	156936.12	229190.38	21907	16324.37	6559.45	7853.67	6235.85	6864.94	8523.18	10078.79	11625.75	12501.9	25307.55	18080.26	40777.4	15172.98	15669.05	14588.62	35479.14	18131.74	25030.54	8934.61	20882.07	47926.57	18107.58	3502.75	8465.4	12225.86	11051.72	8247.03	7876.19	9270.14	5503.52
n5-Iminoethyl-l-ornithine	1525771.12	1735430.62	1450321	1237329.75	1193328.75	2101482.75	1661694.38	1777764.62	2111863.75	2459060	1612851.38	1326124.5	1635308.5	2731836	3569142	1072834.62	1569817.38	1928143.5	2522991.25	1848428.62	1915679.62	2158766.75	1936302.62	1847562	1844844.62	1912364.5	2338588.25	3006221.25	2773971.25	1606221.62	2723888	1602112.62	1396959.88	2785874.25	2651730.75	1872647	3018734.75	1489136.12	361580.5	1586071.38	1568243	1749674.62	962713.69	2082270.88	1595999.88	1074817.12
N-Acetylhistamine	83910.6	99842.41	146233.67	88875.41	60154.56	87933.71	72538.41	119567.4	100139.25	146863.86	80101.91	114064.62	94682.76	161476.2	162556.14	28338.58	40175.82	26992.89	53408.3	18458.17	32182.32	32536.48	50602.91	30404.41	20847.79	21708.64	31625	54188.51	31361.72	27682.22	28856.3	44481.79	45859.09	30504.78	31259.62	32492.97	44770.96	33663.26	10662.44	17969.16	27585.53	32728.55	5481.69	43721.64	27668.92	33266.57
N-acetyl-histidine	432686.5	357533.41	370781.72	264920	280956.84	464948.12	281499.91	338176.28	409048.97	433950.22	241789.86	222223.44	181317.5	264392.25	297429.47	305789.34	300926.59	216388.94	175368.42	132566.25	182671.95	201405.3	184627.88	336444.53	217841.64	243473.7	219111.3	406751.41	271737.78	143931.92	171230.8	346329.66	305918.41	327345.59	144613.89	159036.22	198286.88	170415.42	64994.71	304587.03	193514.25	173297.98	83883.09	195131.3	128608.18	64224.02
N-Acetyl-L-arginine	224368.05	234829.81	201008.48	185926.2	137094.45	338105.22	332128.97	333404.25	284314.62	546029	443110.84	327059.78	208110.89	258963.73	270193.72	266928.28	199409.39	128804.98	164668.86	112499.79	138456.86	175314.25	176021.94	313393.56	246819.2	173219	264501.59	264098.84	235549.62	148894.02	183753.61	236478.86	290073.91	200139.8	173736.83	182660.89	340943	186902.25	57982.62	109105.54	134315	243196.44	65538.75	208512.25	150272.31	66482.16
N-Alpha-acetyllysine	117382.02	125835.21	126913.54	130524.09	100384.31	170629.64	159713.98	146898.36	135881.89	209233.25	183852.62	164209.34	118704.06	139891.12	191480.88	85390.09	106896.54	78497.05	79023.9	56782.77	74068.1	93909.01	92775.29	141053.62	104276.16	92980.62	132386.22	122668.73	92203.65	83741.42	87217.21	119805.9	92796.77	112965.65	87289.68	112234.88	141998.05	99175.05	30371.9	65346.99	83837.49	131506.31	41247.5	117770.51	81358.63	51135.3
N-carbamoylsarcosine	231981.94	187471.5	248347.61	244328.55	195075.05	323906.16	372382.5	525163.69	391264.84	496378.84	569590.19	465873.91	358859.88	435955.91	456295.28	443877.34	340773.38	257406.75	353115.41	340178.91	383706.84	286948.5	442357.72	466305.34	330920.97	379616.25	390161.03	668047.25	399481.97	344739.94	531412.19	392614.34	556892.56	297853.78	247691.39	350005.66	611873.56	387625.5	204004.06	230147.02	276246.06	300629.97	189329.38	385808.91	325690.31	172505.42
Neosolaspigenin isomer	62027.95	69987.8	77905.12	62292.33	53634.98	41729.31	62301.28	54040.47	59464.96	70966.98	52688.17	59171.39	64522.45	46345.69	46814.18	55179.76	32452.71	28381.76	73972.79	58325.18	66555.07	35952.59	57869.73	36234.25	58083.32	41966.68	30124.6	64392.56	58429.65	51784.97	60411.21	30214.63	29715.64	54528.54	60442.48	55687.2	52684.05	57935.18	40656.71	36293.78	35576.04	48974.37	35606.52	46778.09	55354.86	43006.67
Netilmicin isomer	3453336.25	2258429.25	1500877.38	2780537.75	937213	716076.69	3082679.25	1840852.62	2174122.75	880525.56	2137035.75	2750172	1989607.62	2644188.75	1462965.62	1473318.62	1987351	2315177	1991029.38	1408660.5	2750145.75	2154970	2238323.25	2497554.75	2111630.75	4322477	1794802	1705076.62	1502669.62	765594.5	2588385	2140089.5	3337629	1637588	2600077.25	2700361.25	1967665.88	1628671.12	1064828.88	1890495.88	807396.06	1210566.12	1028409.5	1351421.88	1283451.12	1282834.5
nicotinamide	888921.81	837658.69	427444.25	705294.69	294105.12	867633.69	654011.44	559447.75	528640.44	674167.5	581573	620101.31	441506.75	628503.5	420804.88	594746.31	424814.59	441565.62	473800.03	598096.69	927578	741913.19	506395.38	1162131.38	924391.56	854201.81	1319152.5	676179.56	862568.31	891792.19	726949.69	530892.94	779922.25	548259.69	1083064.5	1301198.88	1805685.88	976575.56	606605.5	738800.06	756417	850731.19	677001.81	739858	733570.56	625947.69
N-Methyl-L-isoleucine	26534.12	26595.13	22622.12	25386.39	19546.94	16247.65	23145.79	39495.83	33277.65	36942.01	20903.49	30102.83	24868.87	25405.34	36556.93	409206.72	318835.47	243455.98	357398.62	361193	316540.62	494755	382151.78	554704.88	601630.19	359896.03	1085841.25	1550435.62	958222.75	720690.25	634381.81	529118.56	493688.38	496798.03	319556.5	358248.91	739566.5	381614.84	300940.72	1113863.88	674511.06	519756.25	324789.59	696170.19	436232.5	354689.34
NN-dimethylarginine	446147.34	391953.41	379991.03	296501.84	406930.09	586572.5	469420.03	517121.78	571165.06	656210.69	428649.09	383485.5	442106.5	569706.94	673100.69	541045.56	653608.94	454375.97	543739.56	413197.25	470854.62	484338.03	515356.03	544795.81	371080.62	564002.44	575582	865771.94	508093.97	459929	536733.62	505790.53	492176.34	597662.31	509709.66	467727	629432.19	380053	163132.08	546014.94	438545.03	445661.91	254089.69	633124.69	413141.28	301083.62
N-N-N-Trimethyl-Histidine	725567.56	863833.75	819721.31	691516.06	601893.81	2194615	647742.75	491685.5	425516.47	694295.06	1112988.88	813723.81	608226.25	586348.25	433084.5	186865.75	160578.48	311685.69	206979.05	270140.34	493966.91	451390.5	297440.06	474659.28	482850.66	362094.59	583228.75	248698.44	166315.84	365626.59	207362.5	321370.34	239871.19	186887.52	430631.75	482793.75	937393.94	177115.89	358932.16	296783.16	206331.45	435754.28	297405.38	90218.94	155212.44	117342.46
N-Palmitoyl tyrosine	42454.37	23925.58	15676.68	9076.42	25262.73	25427.69	13542.38	44794.55	38744.19	47727.85	39517.25	21999.73	31572.94	46395.55	88574.91	48242.89	9804.17	12562.95	17374.16	8260.27	15358.93	14389.78	3469.91	13078.44	10994.25	14153.08	32265.12	35645.38	25283.79	10886.82	10950.76	6271.1	3812.21	25790.32	9445.55	11072.49	62729.74	16191.5	324.43	14776.29	3672.48	12514.29	4558.52	20786.52	12813.8	13801.46
N-Propionylglycine	652176.31	542380	532143.31	539409.81	524475.12	655153	778755.56	945908.69	861089.19	1289424.88	904766	782508.31	774418.19	856658.5	742368	720920	778164.94	656173.75	729704.06	484452.62	683052.75	691558.5	530926.94	1057308.12	714068	808238.31	839948.69	967380.94	792645.81	510812.47	747547.25	733694.31	648636.12	682640.25	472405.16	613387.06	650845.69	368541.62	230583.8	440753.75	633031.94	578899.56	358464.88	403279.16	490881.22	215968.08
O-(hydroxytetradecadienoyl)-L-carnitine	92297.51	91555.48	96248.1	53243.46	72372.09	78283.66	106424.59	73819.38	99872.13	94265.7	21567.13	71451.11	75927.19	125830.12	111524.52	73323.1	110760.54	31931.13	81532.25	100301.79	74286.48	111725.7	98984.57	56510.2	89192.63	97990.23	63133.34	58360.03	174181.11	101224.03	71766.01	31540.78	50080.19	46595.31	73496.23	83935.15	72046.2	85231.53	34547.8	122480.16	124842.91	97962.03	110882.99	116328.77	68517.62	131565.73
O-adipoyl-L-carnitine	67361.38	60440.28	58048.86	32560.09	59209.52	102966.84	84998.46	76041.72	100401.1	95378.59	59925.93	90967.4	82898.05	78320.66	98873.48	103191.02	91035.28	91371.47	98298.59	86874.6	83845.99	98288.75	93934.69	166135.61	88175.44	85647.13	264183.09	160707.12	108539.34	87928.24	117785.37	103319.13	74541.24	77913.71	111694.24	91207.06	91068.79	80012.04	53353.34	68341.71	156331.3	98480.49	90510.97	118006.91	62756.81	45959.35
O-Benzyl-L-serine isomer	40738.86	25345.47	27386.72	25166.19	15950.13	42288.19	25667.38	30288.73	28084.04	38063.52	27397.32	29015.12	28459.29	41017.51	31165.79	19715.41	12299.72	8486.44	9270.03	9973.84	30080.18	12497.33	9925.32	10608.67	17136.38	27054.74	22557.84	44544.23	12242.25	11341.3	13316.97	13389.75	12177.96	10768.03	12673.54	11918.73	15700.59	10020.37	6094.12	9847.18	13837.48	17282.14	7952.13	10424.08	9939.96	6719.86
Oleoyl Ethanolamide	161266.11	148888.44	174187.55	127336.69	103911.23	108310.02	155768.64	141390.45	121498.87	144546.27	112385.96	142862.42	145299.48	125141.59	133600.48	165655.02	144212.25	161085.55	124643.4	190194.58	124107.85	223099.8	216197.77	227135.56	238520.61	125351.77	232871.02	218101.12	261596.86	195705.05	155536.56	164925.12	161195.62	201234.95	300968.22	291717.25	290556.66	110697.13	188821.08	136638.05	230361.98	161249.95	107740.53	147741	208223.33	198601.36
Oleoylcarnitine isomer 2	506975.22	622078.19	497825.78	341364.22	540473.88	617366.75	599271.06	491880.09	570178.5	684359.44	174142.67	362019.22	595090.5	552018.31	689443.69	893726.5	813507	837423.81	953217.56	1329774.88	891513.19	1385826	1192588.88	927426.44	861209.81	1170859.38	1176838	898328.25	1626944.12	1293831.62	738585.44	475294.16	399164.72	821551.31	630987.06	794184.69	645102.06	484898.53	418047.34	829904.75	1156126	691883.06	926960.81	1677677.12	771475.19	854273.06
Oleoylcarnitine isomer 3	147033.95	230133.69	168082.67	88048.38	124110.04	210954.73	192970.05	185276.83	176513.67	268411.84	91217.1	136032.98	167488	215235.92	266797.72	251732	259179.38	221585.8	490661.66	559087.81	193074.83	526818.25	432902.25	197172.45	284144.81	279781.78	415454.53	304958.47	636657.44	533763.44	257085.33	156804.8	130661.46	203997.62	241364.45	269321.22	628385.81	165278.08	158227.55	215566.98	385657.22	200007.17	307761.41	523783.72	278345.03	240068.58
ornithine	316017.34	260461.75	404507.5	379843.34	233443.33	492995.09	448658.16	721894.94	594957.06	708409.19	739982.75	595345.31	463265.66	527099	653433.62	499745.16	338175.16	211980.19	278047.78	256368.75	251256.27	283573.97	395590.09	335972.12	256768.31	288907.53	271991.59	408998.28	372697.66	320996.25	474098.09	369211.12	523516.59	324017.41	264910.38	255792.61	478384.78	284581.72	141770.92	216055.23	214191.52	237449.95	115750.46	238700.08	224994.2	173616.97
O-succinylcarnitine	85628.54	71666.88	61802.91	47889.36	52889.17	264977.91	77149.06	79880.98	77008.66	98016.77	77932.06	86009.06	71914.27	88673.03	100964.22	64893.36	61386.08	56172.16	54471.93	48471.75	101302.27	117971.06	60060.4	127316.76	73747.3	80435.47	187545.44	108188.13	84545.55	103537.9	79944.37	82270.7	67990.09	64773.63	65825.95	140523.5	83429.6	50848.64	23017.43	51770.69	76286.04	72720.85	41609.18	107767.74	79494.69	57610.38
Oxiracetam isomer	3248320	2546691.75	3553182	2759480.75	2113982.75	4103941.25	4953804.5	5648720	3875798.25	6566306	5492954	5061754.5	3398265.25	4979476.5	5115493.5	3729602.75	3839024	2323346.5	3692436	2750293.75	3692588.75	3528151.25	3769907.25	4041965.25	3134294.25	3340390.75	4306568.5	3995936.25	4274149	3437108.25	4504592.5	3770564.75	4501406.5	3038517.25	3112257	3339548.25	5289701.5	2690266.25	1444470.62	1931581.38	2931440.75	3207489	1613421.62	2845769.75	3001093	1815169.38
palmitoleoylcarnitine C16:1 isomer 2	119102.51	130452.48	101899.56	74739.03	107727.72	114137.8	155184.33	112900.88	114451.45	143167.25	33314.97	61179.77	106095.96	129265.3	122186.25	281595.53	213312.2	217452.45	295342.75	400258.75	213116.05	431592.62	303477.91	200022.48	242632.58	338690.12	314958.75	217560.95	603758.75	427769.78	174797.69	84227.97	68459.72	168232.36	142970.69	317623.25	177076.98	167816.88	96778.22	175751.11	401157	212461.55	258271.33	461829.72	191571.38	237559.25
Palmitoyl carnitine C16	446505.09	468720.72	489104.53	341786.97	454583.34	854657.44	547243.69	573687.88	663788.62	770493.31	266365.25	424258.47	618639.5	586300.25	761244.56	777952	643504.94	783826.25	766210.25	930062.44	767157.69	1033484.81	949647	914823.19	625457.31	829326.31	951091.94	1116788.38	1051965.12	920731.81	784657.94	681017.44	513556.09	783202	569871.81	624968.25	548582.06	350468.59	311132.34	633770	885927	557874.25	595357.44	1232465	603027.75	509131.72
PC (30:0)	50532.29	58348.04	67227.95	62429.98	34589.46	124775.38	54342.3	60838.64	69502.96	106089.34	51896.44	45214.39	56189.08	64968.77	47323.78	82465.7	59333.71	62955.14	55996.7	60738.2	77060.75	72360.63	74315.59	67415.87	54178.58	61125.46	39883.84	42415.71	100220.87	59704.45	62917.71	79430.32	78332.82	58102.79	35225.44	63651.74	70403.81	34876.13	40740.09	41210.38	52063.46	59643.41	39226.06	56527.98	63038.57	37853.87
PC(14:0/18:2)	1370351.88	1796106.38	1242735.62	1382582.38	1503204.62	1306563.88	2150577	1770909	2008811.5	1969619.62	1440488.12	1532353	1880276.88	1844867.38	1537938.62	2792558.75	2654171.5	1896597.88	2108969.5	1530062.5	1401745.5	2165818.25	3189441.75	1983660.62	1947915.62	2369835	1462940.5	3207322.75	2843094	2144085.25	2156756.25	2888980.75	2141518.25	2699548	1237711.88	1757169.5	1943642.5	1287619.62	945648.06	2001816.62	2202462.5	1796014	983065.31	2382951.75	2257583.25	1752107
PC(15:0/22:5)	334188.88	319602.5	377360.53	304795.94	285610.91	329165.78	348102.62	337552.38	401789.25	444818.97	441934.25	521495.03	421718.41	313868.09	381664.88	222671.5	247937.48	237821.69	280161.28	251657.23	239293.17	382582.59	375020.91	232537.17	284361.66	277642.78	243571.62	257897.38	432414.75	284382.47	259125.23	319319.09	309057.28	318335.47	140273.23	269135.69	245702.45	201067.36	136791.05	253229.75	286909.16	291411.91	125887.3	298898.38	334469.44	297873.44
PC(16:0/14:0)	901756.25	905313.69	873243.25	821922.31	951644.69	1768101.12	1124540.38	1419097	1375165	1329583.62	826806.31	800757.5	1133070.25	1070315.5	984929.31	2195967.5	1537859.88	1484139.88	1529075.5	1398610.5	1288292.12	1847254.38	1956418.5	1459130.38	1471480	1654136.38	1337298.38	2279353.75	2002635.38	1593652.62	1488417	1787369.62	1815248.88	1917514.38	1311119.12	1544377.88	1235371	757061.06	591658.5	1482063	1411693.5	1156709.62	724801.75	1884634.88	1648195	1120783
PC(16:0/15:0)	368887.91	488987	409027.22	354254.91	391284.5	592559.5	442703.91	553354.81	538480.19	753022.75	391468.91	529282.5	545573.88	488013.28	495532.16	546674.81	477264.84	363160.75	445761	405521.88	351262.22	595355.19	407414.34	395077.53	308579.75	409797.38	352629.22	531202	494754.59	383196	374686.78	437231.16	400163.97	396706.59	374601.78	354771.91	319120.81	209198.08	181841.14	389851.5	451715	373839.84	217750.05	470997.09	452405.22	389525.34
PC(16:0/16:0)	12475809	13159659	12376337	10386586	13906043	24679334	11269763	16986938	16472475	16336037	10027587	11695053	13995557	13808229	14223032	20274326	16142035	18466750	20569184	20403854	18044150	23640742	19961042	19816786	19339648	19638786	22442994	25918608	23640202	21367554	18328654	22022330	18499466	21318740	13880903	19724536	17555552	10603981	9816561	19146046	17290432	15599627	11307891	21626352	21496478	13656552
PC(16:0/16:1)	3111349.75	4426866.5	3461873.75	3295995.75	3812693.75	5158684	4562209	4224314	5247844.5	4800711.5	3085608.25	3294915	3953849.25	4610822	4639116	7826004.5	9273779	9419488	10639984	7775043.5	6016596	9122866	11172152	8852068	8312568.5	10553647	7987708	10843765	10331847	8842478	8111548.5	11733993	13063348	11259208	5682739.5	8042402	7663756	5860302.5	4142206.25	6275353.5	8567471	6991972	4469847.5	8338962.5	9367837	5671586
PC(16:0/18:2)	307849408	304632032	299556864	293300320	358758656	196956464	310182496	397676192	367213728	418169184	245683344	266791104	325308384	334044512	335822208	419217152	356132320	268952480	272757088	276314816	243541136	283622528	329111424	254836032	282660032	328998528	244614064	476974560	320398880	288274592	318794592	301508352	236192368	369741984	229159424	234167600	302678688	232006528	191859344	291746976	268937344	288279712	183220720	336053696	280764320	242271760
PC(16:0/19:1)	562339.5	698918.31	510579.88	578045.69	496205.16	621666.94	569899.56	490945.25	770153.75	837919.94	710951	722177.31	565504.25	667800.06	785675.81	779125.31	939081.75	514378.91	810327.25	651705	703173.69	959823.5	1069217.5	644001.75	593763.12	640880.44	603739.06	694104.25	832070.5	628941.75	710015.19	956612.5	738947.69	678544.94	696270.31	581724	464299.62	439924.88	315378.28	616287.44	922024.94	700414.69	424812.38	700736.5	660211.69	700128.31
PC(16:0/20:3)	19651302	25090730	18935178	17516984	16691907	21152772	28610982	31828082	30714486	39554432	23158698	26344848	25511662	30550018	28107368	32345064	28636050	19351872	29069114	17809110	15615685	22502350	31286362	14516488	15830568	15274163	14520548	23081946	25771390	17309570	23715062	23520534	23762008	24987024	17293466	14846595	18095958	8324806	7296249.5	15546531	24017554	14719435	8391429	18004952	18709054	10809365
PC(16:0/20:4)	55234272	62338116	58149740	62166256	71657248	72105688	68026504	75404440	81241624	80146424	53301212	53423684	68518456	64993884	76449272	100773864	96909960	111267128	115329048	115084184	105563232	120545576	121312232	116150624	123555624	118494848	107597304	134646224	139368128	121480576	121510552	113678424	113424736	132155608	78370344	97781576	121703712	85828456	73868120	100238568	86005280	102682464	73400288	121143296	124024384	84794136
PC(16:0/22:6)	29379466	40015020	34652148	29604094	45924100	52090492	39390796	53892436	56933604	61925292	23827366	34965700	45047740	47271076	54563632	72619168	40131904	32430542	47529788	46777924	26660990	42447440	41159796	25410896	42444128	30295222	34675668	54373312	49242196	43804016	42164284	33363296	33920400	46022124	35750972	30053232	52560980	25129250	18664930	36688844	31047856	26585896	19069934	52561740	40338372	25271522
PC(16:1/18:2)	2604122.75	4268164.5	3042172.75	2731836	3604183.75	4483498.5	5336781.5	4730636.5	5030912	6099336.5	3723347	4326894	4497747	4972750.5	4223167.5	6666360	6199140.5	5345425.5	8087870.5	5363902	3795852	5543206.5	7483305.5	4701553	4073817.25	5274506.5	5052491.5	6499470	6762701.5	5772935.5	6070325.5	6102118	5783361.5	7067156	3655775	4317660.5	6583046.5	3219941.25	1815484.38	3713247.75	4738299	3383784	2072772.38	6732186	4817667	2735849
PC(16:1/20:5)	91497.71	137459.95	143588.09	104658.06	162360.12	145025.64	238847.38	182523.17	198499.48	255585.44	180201.44	141880.23	251332.77	276594	187948.75	188986.5	149081.95	118477.84	219425.2	124022.94	132470.22	200489.75	239605.14	109605.63	178582.69	113918.81	96060.91	190640.55	217851.64	190827.3	148707.39	194201.67	182484.75	191746.67	71008.9	158948.06	235939.58	125356.31	59305.06	146840.58	116955.45	128366.66	70810.25	195036.05	147489.64	130929.97
PC(17:0/18:2)	5715211.5	5624133.5	5644608	5185160	5427629.5	5367601.5	5752120	6538753.5	6420203.5	8394352	5980643.5	6359310.5	5820559.5	5109812	5432530.5	4868901.5	4350565.5	2313523.25	2634378.25	2637171.25	2735589.5	3877808.75	4568381.5	2712793.25	2578547	3180254.75	2382303.25	4074596.25	4031337.25	2924845.25	3138498	3712026.25	2878058.75	3388396.25	2955040.75	2706608.75	2828691	2109301.25	1683102	3143961.25	3669184.75	3587293.25	1739786.5	3525327	3172625.25	3246073
PC(17:0/22:6)	905964.94	1027818	837184.31	893112.69	1234055.38	1042774.75	822620.69	1002092.31	1192384.62	1487686.5	877936.5	1095000.38	904229	912702.75	1357927.62	724029.75	577645.19	425777.09	413862.38	435865.12	465328.41	405587.41	642285.44	443399.34	507440.25	512180.88	376775.5	681832.06	638380.31	588679.19	434534.5	535161.31	429050.34	518155.66	447703.41	346051.44	463655.41	313943.16	341042.66	616370.19	604836.94	526018	318780.53	697954	521060.5	704151.5
PC(17:1/16:0)	870668.69	1290935.5	862337.44	874298.69	920466.19	856883.94	1095210.5	823504.81	1211685.12	1456971.38	1019205.94	1006148.81	910097.44	901614.69	1351085.5	979241	1522688.12	1057871.38	1199027.88	1064120	817439.56	1476336.62	1585017.62	1027937.06	998523.06	1058215.12	799287.75	1289795.12	1519041.38	965353.19	978968.06	1361160.5	1171366.12	1345950.62	1037469.31	1035268.06	887480.31	725137.69	611345.94	965774.5	1531841	1116223.38	606323.81	988039.31	1182033.5	1088721.5
PC(18:0/18:2)	126691040	105045384	114074680	113690328	76062080	113680296	135037136	97589112	96615808	91486488	111865664	105417536	117605848	121777856	72683136	97776360	126066624	96413816	97360448	104912840	110198680	99702648	127814728	99450296	101541952	113588544	91554624	186311728	72472568	76333640	119927352	112657608	115783648	139288944	103328352	88460512	92098872	75516824	63620880	97001448	56318636	58032908	58515452	106838240	92321056	68295136
PC(18:0/20:2)	632135.06	540519.44	573622.62	527622.94	462559.03	688956.62	696230.19	808167.69	770035.5	922777.56	797511.94	695882.25	541388.31	815804.56	704514.5	1039148.81	978451.25	587907.31	649031.44	537869.69	771786.69	664776.62	733349.31	611678.56	507660.53	698372.44	394805.59	861211.31	742149.94	623552.25	736502.5	777010.69	659457.25	673549.56	873968.56	493340.47	428318.84	311948.06	386282.38	614908.31	1001757.31	753660.69	366512.16	525838.25	605369.56	470512
PC(18:1/20:4)	20130.71	14192.79	16094.23	14408.07	20469.42	36003.34	29882.69	28373.73	33393.5	29696.35	12410.85	17770.25	23689.43	22770.62	24798.27	49369.39	41410.08	41215.43	51890.88	53601.01	55245.83	44594.88	67879.13	46033.86	38975.59	43748.89	39325.01	61446.97	63665.11	46753.01	48944.88	62810.74	53387.97	68302.84	44364.68	33855.19	28586.29	3601.83	5295.59	34889.88	45780.84	30339.76	14884.52	38303.96	32721.15	13931.62
PC(18:1/22:6)	5681006.5	8800171	5924766.5	6222415.5	7837000.5	6016017.5	6982576	8664349	8215595.5	9700509	5593324	6903492	6140004	6618263.5	9148463	7788308.5	5811550.5	5707932	5895782.5	5355343.5	5044401	4744365	6839064.5	5895201.5	5293524	5893646.5	4938553.5	6964902.5	7821902	9400092	5430871.5	5723505.5	8060582.5	5328726.5	4331776.5	4837264.5	5420784	4688234	4215798	5163076.5	6527516	6985216	3143037	5560044	7048871.5	5029485
PC(18:2/15:0)	2115067.5	2408024.25	2203687.25	1840272.62	2110525.25	1868756.62	2163531	2260798	2610334.25	3378631.75	1953396.62	2620698.5	2420085	2372816.25	2441086.5	1817464.12	1902677.88	924062.19	911382.5	899683.5	889657.19	1416015.88	1611218.62	895989.56	977587.5	1260380.62	782952.31	1788411.62	1409734.38	966385.25	1093152.62	1397242.38	919134	1494438.38	1063317.75	736766.25	998861	767257.44	566931	1147961.12	1465910	1334097.38	681694.56	1574486.62	1222286	1352296.62
PC(18:2/16:0)	307849408	304632032	299556864	293301664	358763232	196963184	310185568	397685472	367213728	418181216	245684352	266792512	325308384	334055040	335831072	419233056	356139264	268960800	272758528	276341856	243555664	283623968	329114080	254846576	282663296	329012224	244620480	476999936	320416000	288287072	318809216	301515136	236199856	369766304	229163344	234172848	302685280	232008784	191859344	291748160	268953696	288280960	183220720	336057888	280771072	242271760
PC(18:2/17:1)	814282.44	1185522.12	926411.75	958326.25	1018244.94	622367.75	1147131.75	1127229	1311260.12	1429792	1082955.38	1107440.88	1251254.38	1157326.88	1162774.62	843080.44	780365.25	385246.16	327422.53	434993.66	489765.34	596236.44	828363.31	496787	478873.72	608362.81	417635.72	644117.06	756926.44	549797	459484.62	631425.94	479187.66	629350.81	492528.12	434066.16	421996.41	318388.5	267810.88	519237.84	709472.75	615939.31	318540.97	492448.62	625749.19	687481.38
PC(18:2/19:0)	1685302.12	1306944	1232739	1208977	1209100.12	1374053.88	1668572.5	1767647.12	1474345.5	1953548.12	1593648	1290332.62	1508349.62	1670460.38	1154972.5	2173992.25	1287035	792089.69	976362.31	1061897.5	1406112.38	1636297	1236287.88	935101.94	1012216.81	1219181.88	988847.81	1231017.25	1177041	1027134.31	1188022.12	1243123.38	1055722.5	1078122.5	1008258.69	846694	811211.75	512570.16	708620.81	819786	1212658.12	1071338.38	609287.19	1050578.5	1050175.12	754039.06
PC(18:2/22:6)	1063084.5	1374691.62	1341330.38	1268105.62	1570679	1028796.69	1355600.38	1478328	1765501.12	1757952.5	1059129.75	1440769.38	1203679	1242004.12	1608008.5	1135223.5	1161259.5	1319155	1426527.5	1291908.38	1096785.75	1143426.88	1651526.62	1620910.88	1480220.38	1306501.88	1168068.88	1408046.5	2084027	2343415.75	1450968.5	1592814.38	2330094.75	1799642.5	737287.19	1200117	1218213.62	992245.94	770677.25	894189.25	1157177.88	1373448.62	733119.94	1101569.12	1488841.62	927575.69
PC(18:3/16:1)	257810.12	324113.16	250820.2	248180.8	287897	165476.52	394442.62	265151.97	418918.91	357145.97	283043.72	286305.97	364380.62	316075.66	259970.89	342712.28	459794.5	491190.53	521670.97	361702	419100.34	462975.41	577086.44	566418.75	470945.5	595271.44	455249.34	510092.09	579836.62	566091.31	459682.78	579404.31	574261.25	615148.12	293278.09	500946.03	392812.84	337418.91	243277.55	430769.16	459594.12	344483.88	232953.61	486323.41	537673.19	400808.34
PC(20:0/22:6)	85862.26	86115.04	122718.56	131691.64	95758.44	162780.08	131327.36	173807.75	140326.48	171972.8	113011.85	142823.11	122189.12	140075.12	146956.05	103056.77	125753.81	103995.29	108189.1	129468.38	98592.77	123950.16	113594.75	107951.16	135642.02	122594.12	67984.37	163175.75	137485.34	78250.47	89990.26	122535.3	113105.25	154313.05	86146.54	84303.24	53523.59	53843.14	57661.09	92459.35	124108.81	98781.34	59685.08	78810.87	80352.81	92779.73
PC(20:1/22:6)	158277.97	251794.42	204913.12	182940.67	162594.89	219411.38	240925.5	239417.17	258380.38	248245.38	164372.23	273068.56	189951.31	242202.81	252808.39	281231.62	218840.44	178094.25	246532.39	185564.11	187660.56	163039.39	165979.08	184782.5	138331.06	137649.75	138209.45	255395.05	185931.83	169241.83	157933.66	176961.08	163007.08	223640.42	193145.44	101775.97	96631.96	81371.09	91262.53	201422.52	251115.17	208071.25	102394.9	151508.25	226113.05	143100.2
PC(20:4/16:0)	64187.25	51249.7	49476.29	53452.03	74821.3	102106.56	79408.87	90147.23	103779.25	102270.66	40589.39	61693.13	67363.41	77121.54	86741.91	146803.8	139608.81	141063.97	155423.47	177740.27	169274.39	147515.91	172976.77	151947.52	178542.94	155447.02	138291.27	220795.95	201906.19	155717.5	174295.39	170301.34	137488.27	193903.25	107104.37	127282.6	114587.65	15229.45	24466.82	120092.94	120537.09	95973.12	54784.79	154256.73	145275.75	56539.7
PC(20:4/18:0)	16371613	16679828	18807342	16030565	18508720	31340738	24085682	28348328	30126842	29529344	16109647	21632272	21111814	23604216	29375914	49976964	42448048	48880556	71615200	60364668	38102756	48382176	56343008	36952864	47384156	35556412	42836132	53378940	51775212	47320052	69259000	42018048	65598864	62689868	33263704	37038760	51087916	21973842	18653094	37399152	25164624	20722378	17584154	48021280	35691116	22327010
PC(20:4/20:0)	204614.75	287541.84	268537.91	335867.25	198587.11	388241	303494.41	418674.41	301092.03	420051.09	240433.23	324470.47	250194.36	362330.16	310128.84	787930.19	686002.81	568093.12	593534.56	536749.5	562959.06	503748.16	629760.62	473072.59	470307.03	478083.25	462512.03	1083105.88	812356.56	642386.56	653801.38	515929	540122.44	520093.84	675875.06	500230.84	460780.62	418941.62	300795.88	450804.97	501334.91	511306.47	370140.41	642360.81	627177.75	417463.91
PC(20:4/22:6)	144565.62	173144.94	214340.3	198579.64	344325.84	202973.55	205885.86	243254.2	364170.12	246694.7	164738.27	258294.89	212156.45	173170.75	298082.28	240967.67	242019.98	267261.91	353477.97	362525.03	234317.33	312173.81	421015.25	377348.34	530763.69	263398.12	295301.62	517858.53	431173.09	782601.94	331647.88	440761.28	604115.75	346704.47	159207.75	281164.28	251195.75	246879	200041.11	233999.7	226428.67	329948.47	194189.67	264436.06	393503.28	277224.97
PC(20:5/16:0)	6506100	6882682.5	7781728	8027670	6968172	8099630	9982463	9609683	8281809.5	9300088	8671340	8293410.5	9604461	8327283.5	8937467	2440794.25	2351182.5	2774571.25	3063159.75	2131875.25	2156738.75	2364224.25	3148052.75	2977196.75	2515613.25	2940022	2202727.75	2362707	3039791	2927082.75	2379748.25	3252569.25	3060984	2658863.75	1710279.62	2514021.75	2408800.75	2146381	1545748.12	1934439.62	2417553.25	2491110.25	1767960.38	2608342	2706072.25	1894792.38
PC(21:3/16:0)	652627.81	747838.44	554492.56	563155	556565.25	640928.56	861500.06	700413.94	794605.94	921068	834827.25	655603.5	659025.38	847368.44	727754	475747.97	493185.09	311569.38	403302.28	312271.5	332333.47	468406.03	554971.56	334835.22	252220.27	383352.28	267879.88	414785.41	466234.09	298564.84	354671.41	551213.81	324428.44	416465.62	435186	294811.97	234018.5	199883.19	201221.33	312825.25	680148.38	525035.12	211706.69	321017.09	337674.16	297249.62
PC(22:6/16:1)	639132	1215327.12	968117.06	847333	1173369	808778.94	1336342.88	1453238.62	1575829.38	1797702.38	945724.31	1246756.12	1359064.38	1278806	1308924.5	1620867.88	967830.19	968792.56	1602256.62	1209559.12	815555.06	1096067.88	1398460.62	883108.25	1103191	799877.19	886861.69	978144.25	1315108.62	1350533.12	1013762.94	1156264.62	1263811.38	1243577.38	830391.81	775853.44	1134220.75	886226.19	556020.25	820819.31	1009822.56	848060.75	614445.69	1355107.38	1243745.12	762824.25
PC(22:6/18:0)	8353854.5	7791078	9350416	7430040	10093979	21208602	10358507	12355045	13962581	14466845	6329348	8477536	9725354	11629319	16368072	19745136	10996696	9407699	13533672	12814955	7394073.5	9663701	11178777	5966280	9393258	7229482.5	8159936	17748248	10580184	11054988	12356844	7348772	11312856	12860359	9573969	6890976.5	10803244	5008559	4107622.25	9531176	6296912.5	4676348.5	3641643.75	12607472	7926654	5695217.5
PC(22:6/19:0)	128559.91	139485.78	130452.88	148738.55	156134.11	215172.3	141752.48	175309.25	165451.11	243766.48	121668.88	158217.27	156436.8	131429.42	174406	180939.64	102272.44	59102.28	78695.66	98163.66	88305.66	84984.59	103428.47	51449.64	48277.74	106492.79	88812.31	118860.73	100781.71	67465.62	79221.87	70491.41	62042.69	70595.22	101623.73	60785.58	77591.62	50099.43	53062.26	94976.84	86093.5	65056.28	54393.6	83823.66	80137.15	96743.75
PC(22:6/20:2)	1067053.12	2060308.88	878617.69	1188021.12	624126.31	470090.84	468727.75	263170.19	427932.5	1195791.12	905361.81	4494540	329962	246041.45	539157.62	795224	1391171.62	739187.69	702060.19	212074.52	138458.77	164304.19	354209.97	379767.09	211317.5	190565.8	376252.5	239295.45	244752.11	268373.53	310284.72	146404.92	142317.25	237125.5	762379.81	109885.91	157795.12	129191.34	338686.47	297440.53	161295.97	180975.56	170341.03	177915.12	116485.27	173426.69
PC(22:6/20:3)	86786.23	100792.65	131715.47	98362.38	123922.51	106807.31	78199.48	93211.12	109001.4	127308.6	78328.84	108225.74	106180.8	110149.31	129509.55	130666.65	163534.38	165074.58	239160.33	245679.81	175963.48	221756.45	278332.41	238211.55	185899.27	158093.98	117793.75	221013.42	334915	226354.06	222020.83	226226.06	265196.72	244179.39	83065.34	141758.48	102270.74	165115.06	77466.95	117863.69	165175.83	154813.2	136484.05	133793.59	206447.25	126660
PC(28:0)	32225.72	64252.08	59829.93	78134.81	72264.15	58752.97	54693.53	66955.1	66812.96	70446.02	32961.01	55548.99	66513.05	54360.07	51216.31	66308.25	97849.15	35998.77	50428.53	80750.14	76919.5	69672.52	79744.1	50312.95	38848.6	35964.37	46385.46	64435.88	62526.86	66555.03	90073.35	84245.72	87492.88	89153.15	54845.54	60604.55	25934.3	76850.82	73099.05	75733.3	62859.27	43254.96	46492.91	64209.83	88113.15	64865.39
PC(30:1)	61907.36	86268.02	24591.87	37332.72	42434.07	68285.96	114439.84	94644.51	69351.75	105276.93	65997.59	55921	94192.87	91544.09	67477.69	225993.45	181302.8	177272.25	202666.88	119177.88	105135.09	166757.62	225338.75	164007.64	152630.25	188367.89	113521.12	239632.2	225917.2	199020.69	165699.3	312014.41	364230.84	201616.75	62825.73	130472.72	116399.96	93081.01	73802.28	96131.38	153435.56	132027.36	67141.74	156151.33	168539.03	106896.15
PC(36:5)	21202.57	19046.43	20026.69	20232.05	21447.7	30076.15	26476.36	38777.38	28136.83	28171.79	16995.31	17301.79	25736.68	32950.27	29210.93	39982.86	28128.87	18359.12	20524.44	25370.21	26766.96	25472.69	29971.04	24003.56	20160.45	25773.58	19281.78	42965.41	25497.8	23240.01	27245.12	25634.73	16621.5	40670.17	23377.11	17534.02	16621.35	3539.87	5276.34	21012.44	20789.1	17011.01	12202.75	25317.1	23031.76	11918.14
PC(39:4)	323289.72	335581.09	281492	277540.62	338355.72	352626.88	313769.22	393262.41	367288.5	454634.62	333973.59	435501.97	348259.66	309921.38	366991.5	540998.25	536338.31	385153.5	410423.84	570307.94	447599.16	573193	482255.12	418163.91	328744.5	498876.12	436867.72	401138.22	602338.94	522645.03	521617.72	553220.94	543522.56	628081.94	393475.5	394954.09	420092.75	186137.06	330289.12	354205.78	486632.25	490324.5	236820.55	424278.53	495943.41	374779.41
PC(P-34:2)	304418.78	208559.64	309797.81	328709.69	289211.62	361529.09	356049.03	355254.72	271001.47	384977.12	361762.5	242149.81	316528.84	315030.31	260530.2	270904.94	247930.67	89064.97	161842.64	246923.8	181549.05	227596.67	272382.16	159987.3	156240.3	209210.7	147646.7	104853.79	167275.86	181196	185187.94	188773.12	221744.06	101470.77	180182.17	160983.86	141459.11	68396.91	125995.73	75835.48	200544.33	217272.83	145424.02	162660.83	170234.5	87220.41
PC(P-36:2)	286859.69	229315.58	275731	333944.91	227588.67	421201.84	317000.59	347393.66	365731.09	392091.59	295048.66	184928.12	313876.5	368961.34	343002.84	193434	178262.92	169218.39	166894.88	161807.36	176926.62	211850.62	225108.17	198982.94	194350.62	201417.58	161243.92	150644.25	249890.08	199699.23	257378.83	214536.17	176454.08	213910.44	199418.83	160302.7	189870.19	89037.19	102485.84	143729.64	170108.94	197572.12	130854.66	188656.56	162209.06	130244.03
PC(P-36:3)	1257017.62	1093726.12	1308629.62	1333967	1181496.12	1964440.62	1178893.88	1667261.12	1503590.38	1542790.38	1085830.62	1094809.38	1038825.19	1450287.88	1556423	2007254.88	1644200.62	1329288.62	1580655	1831231.5	1550411	1930620.38	1516496.62	1929473.5	2203632.75	1916131.88	1729587.38	1566465.5	2674660.5	2020123.88	2137891.75	1947429.38	1860886.38	1919342	1354632	1521955.62	1808837.12	1066609	1126245	1555286.12	1735341.88	1686861.88	1117406.5	1512798.12	1597069.12	1154816.25
PC(P-38:3)	351320.16	294676.44	427732.34	385345.66	354363	543088.56	351378.34	456059.66	432018.88	455564.88	370407.34	461844.84	266230.47	397905.75	421952.03	539593.31	528998.06	558947.19	647290.5	669980.5	571162.69	655512.81	590197.94	644418.75	807238.81	607893.88	607628.81	622696.44	878091.44	756376.56	709225.06	499380.91	617534.06	775553.69	478905.72	563490.44	624157.44	359953.72	437385.41	456287.09	634567.56	669524.94	335618.62	458066.59	696762.75	327313.84
PC(P-38:4)	471927.41	550512.88	680181.69	563368.69	521360.09	833292.44	712869.94	1012106.56	898677.69	990116.69	557927.12	746453.25	597436.31	791394	882968.69	1598769.62	1162708.62	923012.44	1518251.88	1364654.38	730068.31	1589437.62	1347111.12	924900.69	1347700.62	840852.94	1173681.62	924980.31	2132173.25	1133940.38	1707173.5	1210940.88	1314957.62	1306697.25	954691.31	910574.25	1333554.38	605928.94	457318.88	1058647.12	891744.25	734346.75	527290.56	970630.69	1045881.44	538226.69
PC(P-38:6)	369312.41	277977.34	367550.22	465600.09	526131.81	384812.97	419532.25	540026.81	498836.12	568309.56	295951.03	487908.28	443854.84	473277.38	309853.66	347034.38	290233.47	210137.38	257842.64	411230.66	272537.72	341893.38	249554.8	389036.34	317655.31	271526	300266.53	349462.75	319823.25	394991.5	347462.66	305862.25	383869.53	312774.41	315826	183494.86	234670.2	199731.62	277470.94	252782.02	291388.66	334980.16	227532.95	332706.66	275393.88	230916.81
PC(P-40:6)	409496.66	428678.66	465176	412750.34	554184.31	630599.56	478317.16	651956	572695.94	700488.94	361504.59	534477.56	508583.25	516470.78	555228.25	512225.59	349318	399432.66	342109.03	467182.88	341396.47	337140.88	448618.78	499579.12	457567.5	307865.59	429986.12	457644.34	671880.75	677520.19	482768.91	435013.66	319253.28	380888.38	380293.03	361485.12	325690.03	281279.53	348804.59	432740.34	362477.25	475699.91	284850.72	418624.66	364484.91	307776.47
PE(16:0/20:4)	286270.88	303665.47	368836	438370.91	403254.22	726378.69	311924.28	354917.25	326714.94	513740.59	370131.62	501562.41	270646.84	309168.66	518606.78	765373.19	450908	359552.84	585210.25	287295.53	268450.78	483473.16	408955.62	332342.12	276263.06	549762.44	432168	670284.12	404333.72	409025.25	310521	539777.44	461164.84	660825.94	374070.25	468863.66	503717.03	369780	341533.16	645452.25	528418.12	443706.84	298260	435775.75	579307.44	456020.16
PE(16:0/20:5)	26057.49	35743.48	37578.08	51199.75	24386.26	93201.35	67322.65	74959.12	42094.11	63192.81	60136.11	57915.25	42911.1	30165.71	58032.22	37978.14	19380.47	36513.95	18834.17	11238.08	3786.3	32424.15	19377.18	31241.02	10446.24	28402.68	31850.88	21632.67	15217.33	18805.65	8382.26	54425.39	35083.29	33343.3	22194.15	23297.26	6826.72	11042	2979.91	19076.85	39380.06	22996.17	11674.48	13188.48	15003.49	26673.66
PE(16:0/22:6)	528293.75	973518.31	452450.09	702824.56	661681.19	1510609.62	544537.94	580158.19	576852.31	657694.06	567560.81	860166.56	451130.09	530401.81	1084222.62	1323873.12	514550.09	684286.25	558514.31	347241	292606.41	459270.38	488954.09	387555.62	410212.38	562147.31	450120.88	1051160.5	389837.88	583162.19	345488.75	639278.44	436435.34	796152.81	575279.19	418515.22	652018.94	441777.59	473990.78	825398.19	655615.06	557306.31	447188.28	676150.88	707450.19	501015.16
PE(18:0/18:0)	251785.52	288479.06	283046.47	234666.58	298223.78	388112.47	267473.22	257689.33	306084.75	415772.03	280208.16	277180.97	329232.47	252067.33	261582.5	266758.5	267899.72	170933.08	278754.41	253315.33	253569.2	270420.66	299535.62	229585.92	220951.2	177060.5	224113.02	236068.67	321904.84	194020.69	196300.5	225478.77	202267.27	247687.3	112715.16	240080.11	225595.25	114102.88	140909.56	185941.14	314614.5	246925.42	140142.45	281406.47	268410.22	195602.61
PE(18:0/22:6)	132489.92	153313.39	184546.64	112397.88	252971.58	383073.34	258892.88	261972.94	263796.5	382250.88	175049.94	19291.01	311374.34	301686.75	330839.53	204743.67	101243.46	104631.48	140063.34	146229.38	128850.19	155079.69	211813.89	66549.27	81764.2	111594.91	99111.34	268839.59	212315.81	132385.55	167346.42	126814.34	163424.23	193574.3	141935.2	125888.41	123476.37	143224.81	85301.91	215941.42	164421.75	111146.79	79334.02	214321.75	194547.7	139163.19
PE(18:1/22:6)	120461.68	312488.16	132148.66	154409.53	175951.23	593757.69	147795.69	155188.77	138878.69	254332.39	142979.77	240104.58	134257.73	113669.54	251098.02	277924.75	103264.12	139654.3	122448.69	88538.88	74582.91	92107.81	102201.35	97222	101095.59	115594.12	117499.62	159856.95	97649.73	171613.45	74477.7	106058.78	135961.95	136053.92	105148.52	132949.14	127334.35	80585.94	85711.78	223608.7	109173.77	123680.23	96436.66	184145	157872.48	153987.91
PE(18:2/18:1)	221293.12	307264.5	215802.45	232242.69	208781.56	317716	207160.23	313049.84	168125.98	375226.5	267373.22	277331.12	206369.27	190027.8	254521.7	228994.08	155481.09	150116.67	162179.83	100485.29	128020.66	138265.03	232817.02	136152.34	88079.76	153982.48	97421.79	254739.75	139438.77	138966.02	100926.37	208751.45	163492.22	194478.02	105373.47	118265.66	160431.58	145468.83	97383.9	187839.3	184669.52	143091.92	70492.57	172796.38	145781.52	144336.14
PE(18:2/22:2)	1384098.62	1559781	1417473	1341620.75	1519828.12	1368745.62	1389310.12	1629620.5	1958243.88	2199320.75	1286448.88	1676823.12	1575418.38	1328103.88	1826071.5	1646632.5	1806387	1309601.62	1687235.62	1769798	1771717	2378207.5	2356860.75	1792240	1712326.62	1909166	1391943.88	1759079	2461809.75	1800385.88	1730229.12	1979225.5	1865446.5	1877953.38	1393610.88	1622955.12	1609380.62	1179809.12	1003673.69	1698192.62	1691497.62	1764728.88	1150022.5	1918185.12	1957061.62	1722642.88
PE(20:4/18:0)	707587.69	808417.44	755674.31	765531.5	842699	1232867.12	624272.5	916330.56	540155.25	946273.25	760343	769415.69	731680.31	701726.31	923066.5	1195764.62	602766.56	942088	878585.69	654775.5	705091.19	794795.56	895764.81	736541.31	676033.88	780966.19	799820.69	1259984.12	667959.06	719313.06	566675	772010.5	769751	1136205.62	594644.44	724034.19	910229.5	578624.5	600717.75	1159955.5	754049	787905.25	608570.5	652586.12	1014877.44	732043.31
PE(20:4/18:1)	29663.27	68985.62	75902.32	161373.3	108082.29	514113.72	139555.02	173420.75	100951.79	262974	177072.44	104414.81	142283.34	117257.84	212447.7	303117.62	140978.92	167797.27	125361.2	113839.71	211688.23	337828.97	326824.97	236635.25	132844.39	368974	246894.69	350629	183543.73	263852.5	202393.25	300011.47	330242.59	443540.62	130304.72	393479.53	295301.28	92505.23	0	238803.8	372039.53	181879.14	46090.77	271335.66	417136.53	237474.86
PE(20:4/19:0)	31150486	40052668	35988940	33254826	39129880	46966900	45162860	55073860	61273376	61858972	34471908	45187536	47396352	47357876	51358400	90790168	77963656	74318368	116873920	100524584	69175656	97418264	101244216	60029312	87151640	71944896	71833320	88311064	111347520	76230992	98766568	83250296	86625432	108283936	58248492	70571976	101905784	48078172	37284404	66529744	57992608	51370944	37139228	88968096	90800096	45369740
PE(22:6/P-18:0)	336828.53	215631.89	281898.62	361942.16	368313.09	390064.66	228460.73	258872.67	319567.84	291313.12	247382.64	362349.34	181669.77	227502.25	212136.88	260870.81	338027.66	255315.55	248564.95	296151.72	160553.73	266288.84	235825.56	147930.58	324282.75	250018.3	232578.02	287140.91	291895.91	346347.41	216470.23	202955.33	224285.58	266413.19	199071.64	209009.33	299222.94	164835.86	299239.97	138457.11	321169.28	289754.28	230836.8	197910.38	314745.41	174474.11
PE(34:1)	43465.82	61830.73	38555.56	53454.94	33421.14	96749.73	74770.24	64761.54	93633.54	91019.38	68750.62	35187.51	55195.33	82192.18	78013.72	62462.42	49845.36	64330.12	27042.33	42327.82	43010.27	65493.69	100393	56941.21	37544.23	38047.96	52149.99	55623.08	97241.07	34780.65	50321.29	111480.96	93281.16	55293.51	64272.52	49810.14	71060.18	43941.14	11206.25	47297.93	74512.59	54182.5	32884.83	72368.13	73680.6	41216.71
PE(36:3)	89085.16	166396.94	98865.1	84127.27	75269.71	132386.56	149814.14	157956.22	113601.34	182962.67	130374.24	184681.8	119668.88	148394.11	148503.95	199093.86	105905.51	106898.48	124484.21	62800.58	69934.59	101903.45	150946.05	60155.22	46892.89	64406.28	61127.86	143399.28	87677.66	59983.04	103701.82	109383.84	127584.62	118068.73	85241.9	74698.98	59383.27	68834.05	38795.09	95254.85	95938.81	61304.39	42082.93	100975.41	97931.29	39789.84
PE(38:6)	240228.94	355486.91	304354.53	298127.97	409935.25	611873.25	372554.78	421161.47	407605.66	609003.31	372197.53	492308.91	405049.66	425318.75	604957.44	945846.44	402014.03	408503.12	641237.44	312959.09	292593.84	354142.91	492561.84	262122.08	240727.36	255146.05	327114.16	660355.44	268744.56	324470.22	403880.16	441941.41	392180.41	491062.91	598169.69	251387.67	410293.59	276441.25	222031.8	720117.31	345523.53	263241.22	238054.75	772391.19	541056.62	286458.97
PE(42:7)	134558.55	171808.45	144876.8	127862.54	152871.72	42913.66	154658.36	97451.21	169706.25	241789.67	118721.29	155939.7	178457.08	156559.42	163024.67	82562.1	63686.04	58901.54	56001.63	79454.2	84246.59	84547.85	102891.21	82011.53	82842.05	69761.07	49109.91	97712.34	129240.69	143884.3	76985.38	85949.88	85032.81	65171.45	61386.1	73762.7	52777.89	39840.77	29591.7	87904.29	108750.46	71386.85	56333.41	91756.91	91861	101556.59
PE(O-18:0/22:6)	218783.88	233602.31	215139.27	340861.84	255642.42	309885.28	253683.06	244478.94	234543.33	246189.75	189953.5	227265.73	169768.11	212641.3	261455.88	233372.05	213567.67	217486.89	152160.48	273463.38	138819.5	296948.16	220003.98	161187.31	295396.5	215362.98	154743.42	190453.7	246450.5	324008.09	212405.08	286243.97	182922.8	288341.97	198758.48	187640.25	239685.61	134415.56	289279.22	133733.61	282502.78	237579.3	221083.58	176322.05	307885.84	156208.98
PE(P-16:0/20:4)	161420.16	125094	148604.86	200951.06	163378.31	316261.22	113356.71	210441.11	158366.98	232053.5	134390.7	131053.56	121889.4	148411.77	154537.39	215318.5	188033.45	165146.72	173758.48	251328.52	139671.12	293620.53	241726.08	177189.69	248458.38	239578.81	230490.64	175199.86	249073.92	258130.86	188057.64	190496.38	209929.56	237827.48	167650.02	217046.39	261453.88	145438.67	206377.2	141293.95	248912.08	237647.77	163118.31	230325.95	185002.36	146320.73
PE(P-16:0/22:6)	65485.28	16858.72	98404.66	62200.39	204178.52	346967.34	119758.55	238994.14	220612.45	85148.73	51716.74	10197.46	162629.41	220546.81	87971.48	28810.68	42455.56	67935.41	66864.48	193585.75	80624.51	206886.86	66008.9	48059.35	159474.42	112174.78	76078.44	126893.28	239502.67	233608.02	131058.19	172298.83	176115.11	138414.25	31904.51	155167	200118.12	98972.27	113713.71	95084.4	286504.41	154381.88	149891.09	184518.2	193789.8	125254.59
PE(P-18:0/20:4)	249074.02	172740.92	220182.36	236156.52	217162.64	334906.38	159252.14	180770.14	177938.42	201885.27	223183.75	164528.75	144810.55	177198.83	198296.5	270029.84	302695.31	234780.45	231544.19	481582.41	205046.12	366451.38	344963.16	240671.5	389204.91	333776.84	230953.11	224030.2	361962.59	384122.91	280999.28	285543.41	279722.59	372821.41	243724.2	290130.72	350171.66	232822	309218.22	196346.08	457338.5	340049.97	286730.62	257063.8	394434.09	190589.23
PE(P-18:1/22:6)	128097.94	76898.72	79944.01	107407.62	107461.43	141241.64	90529.07	92959.19	77465.8	121436.02	61219.16	116936.1	65281.52	107289.63	99531.84	54524.81	47978.05	45353.83	55986.89	42017.61	36659.41	69521.12	64775.69	31083.46	63530.68	49968.55	60680.36	62326.26	48795.86	70334.49	63717.16	58092.11	43534.97	43736.89	56137.41	44393.97	78216.73	30363.79	65738.27	50135.45	46982.78	60463.15	49628.16	72202.95	67257.38	84761.47
PE(P-19:1/18:0)	932945.75	730158.81	864826.25	1039135.44	871957.94	1654036.88	913773.25	1212311	1209689.38	1129478.25	795224.81	734478.19	921765.31	1141323.38	1022946.31	646199.25	760129.5	570490.19	585631.19	594367.19	710522.06	805323.75	733222.31	641934.31	686063.81	745668.19	591304.44	496032.16	846776.69	709868.06	792167.25	816305.06	594848.81	809210.5	622128.94	714490.31	723023.56	328658.69	466688.09	557285.94	776757.81	749609.56	538619.5	572928.56	587439.44	466049.22
PE(P-35:0)	228782.77	177617.11	161318.58	219380.95	198965.2	230872.81	257962.11	263153.94	175832.61	228215.12	205548.92	84054.43	205349.33	269010.91	151167.05	212353.67	204293.42	216155.67	281137.47	277829.12	255035.3	209456.39	258514.88	279571.66	259143.39	238814.89	321108.47	133154.36	334511.97	197945.56	239057.8	190721.08	253064.58	150895.72	225505.48	271904.72	240988.67	99502.98	206227.52	203984.88	275702.56	260745.45	230425.83	173169.42	175753.61	144424.45
PE(P-38:5)	202286.39	232129.33	241862.05	286504.72	184169.38	354214.41	185946.5	221529	177812.86	343828.28	241262.81	293213.62	159484.08	177037.88	193725.06	161594.2	180944.05	182895.3	167887.75	232621.64	106106.38	217879.3	180866.31	137207.81	148776.17	187748.75	137020.2	158410.31	213988.38	230423.56	154648.86	227220.11	168087.48	146121.14	161403.17	195511.5	192825.39	104919.8	152041.08	99770.34	186091.11	202784.69	89899.29	132888.8	141484.42	132780.2
PG(16:0/18:0)	125725.27	69683.87	79747.34	136656.38	81773.52	172791.11	72033.62	112855.46	102436.31	93254.37	117286.62	120850.16	102674.13	90124.19	105121.85	85986.08	95137.56	64793	68544.16	94945.74	27501.1	61402.36	70595.84	72718.01	103228.48	105386.85	80277.79	88470.91	101518.38	108801.63	67853.24	87997.85	82807.85	91248.62	85896.51	62913.83	81004.23	49447.53	95082.77	73099.55	66612.82	97033.09	55017.07	67251.41	67824.04	58623.56
Phenylalanine isomer	371012.91	343199.47	329517.25	305457.78	194729.05	450229.59	367417.75	386385.91	383103.91	535273.81	468319.75	420486.53	343638.22	522706.03	438399.38	107963.12	86756.88	44602.56	58898.61	63160.65	141395.2	50568.99	68329.95	78879.98	56257.66	102857.54	96840.06	120873.69	77457.82	51421.77	86332.38	70776.88	79488.06	62987	71412.73	71248.82	95042.04	48913.03	32842.78	34396.05	85861.01	86031.03	46089.11	56726.28	48530.33	37693.14
Phosphonoacetaldehyde isomer	68106.97	63469.07	93205.01	74571.41	56794.49	76912.37	74751.97	65727.65	62821.62	91504.35	86145.57	76935.72	43228.92	58223.47	103109.09	63974	110180.18	92723.54	87920.09	46477.64	116363.18	110921.91	84096.79	83094.83	103868.69	82074.23	61295.61	89721	112494.02	53044.89	83891.18	77953.9	100115.41	115902.84	45660.52	75202.95	46380.95	66124.63	61637.56	61809.75	67569.04	101828.94	41346.91	90559.1	77313.62	59881.12
pirbuterol isomer	337971.28	262238.69	233916.58	165587.45	227967.11	348160.75	219417.45	277084.44	293158.53	308874.41	180461.02	174731.48	203010.5	286469.09	319636.75	330616.41	305771.59	250889.3	282599.75	221596.69	325668.78	344903	273006.47	366545.78	229477.17	337436.09	418517.84	506781.91	371317.84	290346.91	313659.53	298708.94	259957.83	353421.22	287793.22	309610.56	333759.78	227031.98	111129.8	337349.41	314823.69	269470.88	194070.02	394102.84	260603.08	200881.3
Pro-Leu	631033.62	474811	431060.12	386272.22	364017.97	646797.69	527425.12	628227.5	534024.81	711306.19	413854.62	454012.59	410244.34	587003.44	608109.25	1038899.31	679039.62	541977.69	562385.94	515994.72	624428.25	655776.06	552376.69	818414.56	528265.69	700703.69	949772.31	1196936	706227	617805.25	761111.94	692692.31	553591.5	674237.19	713714.31	663970.81	847788.19	491233.84	246996.23	415344.41	742761.19	764146.5	427480.25	714884.81	507347.59	270010.59
proline betaine	33348848	40611708	31328694	27647312	31387918	25216118	35784888	31962022	36989236	43884316	32556568	34744544	25829418	26916418	36726644	375526.34	464122.12	615454.25	470783.34	134142.88	162568.05	264241.47	227766.12	578885.19	640788.06	192383.02	820322.75	1098468.88	345423.47	682874.44	323557.12	955660.69	375895	450237.75	211529.17	306866.53	521426	271188.22	132469.92	243770.8	989196.06	347304.72	534079	466216.22	146903.62	375048.84
propenoyl carnitine isomer 1	28058.72	27096.61	27686.62	19532.03	21715.68	42301.89	38178.78	28508.53	27646.98	41526.38	33037.97	30850.95	28483.3	33233.39	33048.88	21323.06	17783.95	12767.97	16761.6	15150.93	13750.1	13859.46	11850.19	19149.26	14699.83	18903.42	18355.06	21451.54	22219.12	16949.55	22657.95	19461.68	24067.63	13739.28	16783.9	19444.83	23668.03	15585.79	10748.58	11402.44	19843.31	17382.83	10342.95	20568.37	13228.39	12886.02
Propionyl carnitine C3	1879945.5	1940085.12	2020313	1540618.12	1175103.12	4226542.5	1836745.38	2461416.25	2348302	3549839	2178744.25	1948778	1842494.38	2823945	2952908.75	1784574.5	1393732.88	641175.31	946673.19	845386.69	1013206.5	1542226.62	1576694	984266.94	974572.94	1028847	1051660.12	1990462.62	1692462.5	973327.56	1237175.38	1305979.38	1332817.62	1581288.38	1278300	1083678.12	1711172.38	1224588.5	525679	1379804.62	1375196.12	1635738.88	687141.56	1695513.62	1123459.12	1205958.12
Pro-Thr	37542.07	83024.27	37053.66	42164.22	13156.79	91766.79	193296.88	75253.2	50368.53	299561.03	211146.05	139432.34	60836.29	162818.48	134661.05	19163.66	30781.05	47098.03	121138.44	101379.73	66532.01	207635.98	126108.07	270370.47	352381.78	112021.96	448403.91	141525.84	433939.88	101427.6	173983.05	48166.94	74170.76	121679.93	95739.22	182758.3	603361.56	71938.2	13243.15	33658.26	151008.45	204368.33	53249.44	132742.48	180226.5	24932.26
PS(30:1)	11533.93	25910.92	8655.69	7154.96	5330.79	5691.9	9652.52	13885.45	6752.72	4721.9	12734.63	16736.41	7660.32	9973.75	5531.38	5841.35	9551.65	16535.74	18468.77	10232.62	23316.62	22455.25	18375.81	18442.38	17767.27	11424.97	39604.43	10878.08	10853.74	15819.64	9141.85	20313.47	18578.07	6705.96	6536.5	11829.01	14720.99	1150.68	673.85	6940.6	3343.1	5406.59	1356.13	7916.77	6457.72	1437.09
Pyridoxal	102351.22	114806.72	172774.17	146367	110017.4	226916.45	270191.09	230295.95	237896.94	306547.59	267761.72	292163.09	167053.31	213793.5	263261.25	196623.92	172946.27	119973.73	233148.3	132950.52	164714.06	226358.83	275943.84	186685.25	159468.11	180351.06	141830.19	292645.72	213559.39	195885.39	227476.17	195031.56	276757.84	224971.44	131897.59	167742.5	318282.44	170692.89	87284.4	157345.3	131280.36	172893.08	79088.92	270642.53	187815	112165.02
Pyroglutamine	714839.5	693438.56	701282.06	527154.06	624006	679235.94	834876.31	664661.94	823217.19	1106840.12	826031.31	753316.44	617861.62	852375.44	786961.19	204265.55	253178.2	329951.09	363997.53	224058	324387.91	276227.59	305461.84	543309.56	337886.34	384740.28	608588.06	373291.41	379725.03	312318.59	288930	429375.5	301114.03	307130.53	260847.73	374247.59	263754.03	186724.67	109710.29	278812.62	325565.31	367163.84	197589.92	421967.66	316504.41	174583.12
riboflavin	11330.56	8374.94	13588.56	12378.21	6429.64	17540.05	25440.81	23670.38	21880.6	54447.4	33466.32	29022.47	16301.92	22798.15	22877.62	10111.83	6124.52	13390.03	10704.43	11279.09	13502.24	13227.49	12492.39	19173.42	7912.65	14942	10619.32	21285.73	21196.85	8515.84	9803.29	16003.18	17010.54	13040.95	7934.55	16712.95	18752.56	7652.96	3604.84	5274.67	18546.72	14955.43	6846.23	13306.82	7176.83	1939.24
Ribothymidine	33609.88	28225.6	29465.24	24477.31	19732.69	32302.9	27762.88	39268.77	38981.06	56147.64	32149.24	35404.59	20222.67	39522.35	63080.58	15037.34	31180.99	14961.9	19529.78	10239.73	14253.55	13048.02	22548.37	17857.07	8978.56	18461.9	25928.69	57682.04	18681.84	14006.96	19112.94	29244.06	21320.4	19747.39	10198.06	14234.72	22187.63	14257.98	3742.18	10323.5	13825.02	16749.96	5661.59	26893.71	10297.17	5792.94
Saringosterol isomer	12305468	10606421	11659813	5730076.5	5746293.5	15194619	14081817	14126787	10560235	8779423	6615068	7259869.5	13014380	14947725	15267361	6938750	6397678.5	17633874	17865258	14487509	9711435	7969713.5	7611380.5	5468978	11471339	6382740	8484351	19637976	12095365	7044281.5	5691756	6162840	5623421.5	8277584.5	5119736.5	5567870.5	7277393.5	1882228.38	2833739	3623455.25	5569510.5	3017582.75	3021099.75	6274004	6348517.5	3829030.75
SM(d18:1/14:0)	203204.45	193330.05	185347.81	165790.84	252271.58	364878.53	85047.98	231537.27	323817.03	321639.75	39259.33	37777.82	185001.5	141545.08	219498.33	520303.91	372874.41	417247.34	573429.19	598469.06	72353.4	346451.53	372092.66	329361.38	327529.75	453262.53	336491.06	1148389	591562.88	570165.06	383745.25	332683.84	384189.75	595755.38	137361.78	18465.19	357693.72	193737.83	104940.63	278453	355070.22	405490.22	110975.35	418340.59	327711	241084.08
SM(d18:1/16:0)	15330449	10974676	12696384	12351640	17551106	37987548	14866885	25678670	22899138	22169966	9353901	12621777	16438772	22461626	21297838	27907648	26005178	22441368	21447394	28018430	31198544	24991288	28707386	19389200	20119342	21553880	24528206	38524028	28693366	23170918	28095710	22763472	20784302	33191504	27915970	17350694	16618005	3821417.25	6092470	21125178	23201514	16111603	11171305	29844718	19781606	10783659
SM(d18:1/22:0)	64610.95	59279.54	88558.77	67745.81	34246.7	109017.6	144300.48	104049.06	83573.28	111741.56	110011.9	129592.95	91731.9	185850.67	117015.31	46578.39	108957.32	57318.38	192545.48	116074.53	90499.73	101355.13	152237.33	40612.68	78125.81	31821.37	111054.29	104166.69	118158.77	27980.05	97172.29	77073.3	75616.15	64031.03	127857.26	64096.91	104185.47	16972.88	44701.19	55531.12	137083.14	41319.22	55260.23	81261.04	78389.55	42259.55
SM(d18:1/24:0)	108798.23	46090.77	50580.08	124521.34	103608.29	212225	118820.59	82185.53	103120.63	134138.06	107437.05	94412.4	119132.79	37782.16	103852.95	192801.12	73053.84	105911.4	161638.52	152549.77	106297.13	145896.7	103097.25	21891.1	70810.73	54270.33	164474.83	108824	172067.44	42422.11	32964.56	117331.44	54377.45	132676.05	167419.56	131527.73	97952.48	41158.58	56162.46	105118.05	208652.42	101299.31	65267.32	58301.61	108960.65	48858.42
SM(d18:1/24:1)	420723.16	534831.94	574228.88	517077.84	367248.38	925615	931246.94	1019986.81	726646.5	1000696	631342.69	823934.56	567192.19	1366577.5	969225.94	696018.31	1016030.75	595726.19	1358660.38	943241.75	758126.25	983877.75	1168819.38	427930.25	597317.94	463045.72	793831.94	641688.75	1009370.69	495916.03	1322886.88	589343.81	668321.94	782932.75	1028973.19	637021.44	928562.06	135983.3	378870.62	580432.31	972285.56	420950.28	412574.97	559448.38	678254.19	324503.97
Sphingosine	117982.59	162208.39	132692.81	91255.51	93921.44	70306.4	93621.48	91463.59	84095.38	112637.15	83554.8	112577.9	109143.84	84756.49	125314.79	110721.62	119386.95	122799.68	80467.05	134829.16	78707.84	111349.49	107814.41	133211.17	145081.88	84971.52	234754.58	117302.51	153444.11	121546.15	138378.41	88973.41	83246.88	116253.01	98860.77	128071.1	165370.05	52104.08	79889.79	67882.73	122432.21	87277.59	61537.53	131318.08	85423.68	117419.37
Targinine	50492.12	35113.85	42082.36	35623.25	37771.8	81718.04	72624.57	87359.31	73205.03	117782.96	96065.05	65349.11	56790.56	80454.82	86386.98	61212.24	55417.26	36743.89	42413.93	30920.42	36372.36	38060.82	45606.57	56611.36	31982.85	52511.93	44739.48	100635.77	41516.15	40314.86	65723.05	44746.04	48829.25	48602.93	38953.57	36261.26	68233.73	29052.11	11404.41	28193.04	28459.29	34052.04	14759.13	49089.95	32063.16	18775.3
Taurocyamine	19228.57	16636.02	13990.25	16068.55	12031.25	39850.03	23125.66	24409.62	36587.18	33969.1	22922.08	15633.03	23695.96	24861.54	29479.2	28482.26	23769.54	22808.24	21862.86	20712.58	37473.3	30912.88	18252.64	44278.35	28121.21	39088.66	51575.3	40270.14	36266.13	33325.79	44511.58	26605.29	35364.11	50565.86	24865.84	40029.99	35267.93	29430.92	12821.59	25348.48	22403.66	26240.81	21471.88	27570.7	24531.7	13272.25
tetradecadienoylcarnitine isomer 2	315544.47	365119.12	237568.17	210794.61	252471.88	144666.58	278832.75	235176.98	218633.88	291688.75	76372.63	182036.31	283264.06	237997.62	204448.5	286514.31	195643.52	159473.31	196887.77	281410.19	153277.33	386353.25	179816.23	193842.75	272195.66	287200.84	189306.3	133051.61	464672.03	339231.31	236408.77	134292.3	89237.34	158408.86	217790.33	330225.78	241609.42	290582.66	97486.99	316834.22	374583.53	239771.95	318304.09	390244.25	192892.19	402163.5
thymine	759279.06	590672.19	647808.56	502895.59	645307.69	1310681	627028.62	1123553.38	1112883.62	1196960.75	611637.44	652729.19	754460	712206.81	924226	637288.5	795594.44	898018.5	746226.69	980345.31	808819.19	648325.69	760191.69	990782.25	629433.5	1070782.88	911050.25	1302388.88	647549.94	909290.56	1216424.88	693698.94	1040359.94	1243499.75	942612.31	673817.69	881035	628821.25	454790.78	701347.56	463002	562248.56	382491.59	1163950.12	410278.91	499457.16
Triethanolamine	422758.47	659571.06	527583.62	324323.12	139741.64	109108.23	349453.06	428903.12	527894.69	286135.59	200477.14	374667.97	110855.15	150602.73	440751.28	146941.56	405552.78	152031.52	423545.41	267795.28	69561.59	104480.91	177985.81	158295.64	130924.62	73645.52	239671.92	211883.23	154115.23	60016.04	134811	38159.34	158027.14	96864.71	298472.22	57962.68	597876.56	202796.08	70661.87	97332.94	119844.6	62736.11	83150.34	41057.14	113713.54	193887.39
Trimethylamine N-oxide	4552716.5	4678439.5	7254289.5	4766152	4805269.5	6394796	3687038.75	7128648	8159865.5	9922468	7408735.5	7686092	4510646.5	9579380	12786984	3434702.75	15896440	9108189	14316720	7986674.5	7166989.5	32386928	16680628	6635196.5	22282046	29425650	8897635	7909443.5	18862250	12699389	4256130.5	21084696	13174861	26701424	23474542	29470946	14367500	10825319	6373403.5	6944963.5	5961576	11798016	4346941.5	12496585	8798814	4012096.75
Trimethyllysine	131471.8	132835.2	112727.04	91395.76	100596.62	280421.66	104878.59	139916.17	146717.17	143644.45	111263.82	116767.16	114714.32	146611.2	170042.69	182589.83	138400.31	134044.38	136106.5	109121.8	171362.08	191966.39	127344.52	202299.44	130045.6	155517.23	273391.97	228608.44	149871.14	173571.62	145278.84	156148.77	138487.09	152303.67	134936.52	193780.88	157655.92	90788.59	42225.53	151108.56	128261.72	119431.96	69189.49	156270.38	120518.9	79931.98
Val-Val isomer	71035.01	58527.36	44058.26	54614.39	55872.84	81893.27	64079.94	76428.25	73900.9	75531.48	72982.77	57195.81	53613.44	57011.94	77578.57	48536.07	40487.71	32772.11	40323.18	32747.71	37469.37	38317.57	38667.53	43887.16	34447.61	37051.74	69389.66	49957.21	42953.4	34534.45	37878.77	36374.72	36559.25	37477.35	50589.27	38556.36	52859.27	39148.41	10563.73	34530.27	40436.33	49149.25	23939.18	38103.44	35230.72	22377.45
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
(R)-(+)-2-Pyrrolidone-5-carboxylic acid
1-hydroxy-2-acetamidofluorene isomer
1-Methylguanine
1-Methylnicotinamide
2_3-Butanediol glucoside isomer
2-Methylbutyroylcarnitine
3-Hydroxyanthranilic acid
3-Hydroxyhexadecanoylcarnitine
3-hydroxyoctadecanoylcarnitine
3-hydroxyoleoylcarnitine
3-hydroxypalmitoleoylcarnitine
3-hydroxytetradecanoylcarnitine
3-Methoxytyramine
4-(Trimethylammonio)but-2-enoate
4-Guanidinobutanoic acid
4-Hydroxyindole
4-Phenoxypyrimidine isomer
5-Methylcytidine
5-Methylcytosine
5-methylthioadenosine (degradation product?)
7-ketocholesterol
acetyl carnitine
Acetylcholine
Acetyl-DL-Valine isomer
adenosine
alanine
alpha-Linolenoyl Ethanolamide
Arg Ala
Butyryl-L-carnitine
Carnosine
ceramide (d18:1/22:0)
ceramide (d18:1/24:1)
citrulline
creatine
Creatine phosphate
Creatinine
cytosine
DAG(36:3)
DAG(36:4)
DAG(36:5)
DAG(38:5)
DAG(38:6)
DAG(40:7)
DAG(40:8)
decadienoylcarnitine
Decanoyl-L-carnitine
decenoylcarnitine
Deoxycytidine
Diaminopimelic acid
Dimethylglycine
DL-Pipecolic acid
dodecanoylcarnitine
dodecenoylcarnitine
Ecgonine isomer
ethyl serine isomer
Formimino-L-glutamic acid
Formylglutathione
Fructoselysine
gamma-Butyrobetaine
Gln-Glu
Glu-Ala
glutamine isomer
Glutarylcarnitine
Glutaurine
Glycerophosphocholine
Guanidinosuccinic acid
Heptadecanoyl carnitine
Heptaethylene glycol isomer
hexadecadienoyl carnitine C16:2 isomer 2
Hexaethylene glycol
hexanoyl carnitine
Homocarnosine
Homocitrulline
Hydroxyaspergillic acid isomer
Hydroxybutyrylcarnitine
Hydroxygaleon isomer
hypoxanthine
Imidazole propionate
Imidazoleacetic acid
Indole-3-acetaldoxime N-oxide
Indole-3-acetamide
Indoleacetaldehyde isomer
Isobutyryl carnitine
L-Carnitine
Leu-Ala isomer
Leu-Gly
linolenylcarnitine
Linoleoyl carnitine C18:2
linoleoyl carnitine C18:2 isomer
LPE(22:6) isomer
L-Pipecolic acid
Lys-Gly
Lyso-PAF C-18
LysoPC(14:0)
LysoPC(16:0)
LysoPC(16:1)
LysoPC(18:0)
LysoPC(18:1)
LysoPC(18:2)
LysoPC(20:0)
LysoPC(20:1)
LysoPC(20:2)
LysoPC(20:3)
LysoPC(20:4)
LysoPC(22:0)
LysoPC(22:1)
LysoPC(22:4)
LysoPC(22:5)
LysoPC(22:6) isomer 1
LysoPC(22:6) isomer 2
LysoPC(24:0)
LysoPC(P-16:0)
LysoPC(P-18:0)
LysoPC(P-18:1)
lysoPE(16:0)
LysoPE(18:0)
LysoPE(18:1)
LysoPE(18:2)
LysoPE(18:3)
LysoPE(20:0)
LysoPE(20:4)
LysoPE(22:0)
LysoPE(22:1)
LysoPE(22:5)
LysoPE(22:6)
LysoPE(24:0)
LysoPE(P-16:0)
Malonylcarnitine
Messagenin isomer
Metalaxyl isomer
methacholine
Methionine sulfoxide
Methyl-Histidine
Methylimidazoleacetic acid
Myristoylcarnitine C14:0 isomer 2
N1-Methyl-4-pyridone-3-carboxamide
N5-(4-Methoxybenzyl)glutamine
n5-Iminoethyl-l-ornithine
N-Acetylhistamine
N-acetyl-histidine
N-Acetyl-L-arginine
N-Alpha-acetyllysine
N-carbamoylsarcosine
Neosolaspigenin isomer
Netilmicin isomer
nicotinamide
N-Methyl-L-isoleucine
NN-dimethylarginine
N-N-N-Trimethyl-Histidine
N-Palmitoyl tyrosine
N-Propionylglycine
O-(hydroxytetradecadienoyl)-L-carnitine
O-adipoyl-L-carnitine
O-Benzyl-L-serine isomer
Oleoyl Ethanolamide
Oleoylcarnitine isomer 2
Oleoylcarnitine isomer 3
ornithine
O-succinylcarnitine
Oxiracetam isomer
palmitoleoylcarnitine C16:1 isomer 2
Palmitoyl carnitine C16
PC (30:0)
PC(14:0/18:2)
PC(15:0/22:5)
PC(16:0/14:0)
PC(16:0/15:0)
PC(16:0/16:0)
PC(16:0/16:1)
PC(16:0/18:2)
PC(16:0/19:1)
PC(16:0/20:3)
PC(16:0/20:4)
PC(16:0/22:6)
PC(16:1/18:2)
PC(16:1/20:5)
PC(17:0/18:2)
PC(17:0/22:6)
PC(17:1/16:0)
PC(18:0/18:2)
PC(18:0/20:2)
PC(18:1/20:4)
PC(18:1/22:6)
PC(18:2/15:0)
PC(18:2/16:0)
PC(18:2/17:1)
PC(18:2/19:0)
PC(18:2/22:6)
PC(18:3/16:1)
PC(20:0/22:6)
PC(20:1/22:6)
PC(20:4/16:0)
PC(20:4/18:0)
PC(20:4/20:0)
PC(20:4/22:6)
PC(20:5/16:0)
PC(21:3/16:0)
PC(22:6/16:1)
PC(22:6/18:0)
PC(22:6/19:0)
PC(22:6/20:2)
PC(22:6/20:3)
PC(28:0)
PC(30:1)
PC(36:5)
PC(39:4)
PC(P-34:2)
PC(P-36:2)
PC(P-36:3)
PC(P-38:3)
PC(P-38:4)
PC(P-38:6)
PC(P-40:6)
PE(16:0/20:4)
PE(16:0/20:5)
PE(16:0/22:6)
PE(18:0/18:0)
PE(18:0/22:6)
PE(18:1/22:6)
PE(18:2/18:1)
PE(18:2/22:2)
PE(20:4/18:0)
PE(20:4/18:1)
PE(20:4/19:0)
PE(22:6/P-18:0)
PE(34:1)
PE(36:3)
PE(38:6)
PE(42:7)
PE(O-18:0/22:6)
PE(P-16:0/20:4)
PE(P-16:0/22:6)
PE(P-18:0/20:4)
PE(P-18:1/22:6)
PE(P-19:1/18:0)
PE(P-35:0)
PE(P-38:5)
PG(16:0/18:0)
Phenylalanine isomer
Phosphonoacetaldehyde isomer
pirbuterol isomer
Pro-Leu
proline betaine
propenoyl carnitine isomer 1
Propionyl carnitine C3
Pro-Thr
PS(30:1)
Pyridoxal
Pyroglutamine
riboflavin
Ribothymidine
Saringosterol isomer
SM(d18:1/14:0)
SM(d18:1/16:0)
SM(d18:1/22:0)
SM(d18:1/24:0)
SM(d18:1/24:1)
Sphingosine
Targinine
Taurocyamine
tetradecadienoylcarnitine isomer 2
thymine
Triethanolamine
Trimethylamine N-oxide
Trimethyllysine
Val-Val isomer
METABOLITES_END
#END