#METABOLOMICS WORKBENCH Asaelr_20250311_151041 DATATRACK_ID:5719 STUDY_ID:ST003790 ANALYSIS_ID:AN006231 PROJECT_ID:PR002366
VERSION             	1
CREATED_ON             	March 11, 2025, 3:28 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                   	Fecal 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           	-	blank1	Sample source:blank | Diet:blank | Treatment:blank	RAW_FILE_NAME=blank1.MZXML
SUBJECT_SAMPLE_FACTORS           	-	blank2	Sample source:blank | Diet:blank | Treatment:blank	RAW_FILE_NAME=blank2.MZXML
SUBJECT_SAMPLE_FACTORS           	-	51	Sample source:Feces | Diet:Chow | Treatment:isotype control	RAW_FILE_NAME=51.MZXML
SUBJECT_SAMPLE_FACTORS           	-	52	Sample source:Feces | Diet:Chow | Treatment:isotype control	RAW_FILE_NAME=52.MZXML
SUBJECT_SAMPLE_FACTORS           	-	53	Sample source:Feces | Diet:Chow | Treatment:isotype control	RAW_FILE_NAME=53.MZXML
SUBJECT_SAMPLE_FACTORS           	-	54	Sample source:Feces | Diet:Chow | Treatment:isotype control	RAW_FILE_NAME=54.MZXML
SUBJECT_SAMPLE_FACTORS           	-	55	Sample source:Feces | Diet:Chow | Treatment:isotype control	RAW_FILE_NAME=55.MZXML
SUBJECT_SAMPLE_FACTORS           	-	56	Sample source:Feces | Diet:Chow | Treatment:isotype control	RAW_FILE_NAME=56.MZXML
SUBJECT_SAMPLE_FACTORS           	-	59	Sample source:Feces | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=59.MZXML
SUBJECT_SAMPLE_FACTORS           	-	60	Sample source:Feces | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=60.MZXML
SUBJECT_SAMPLE_FACTORS           	-	61	Sample source:Feces | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=61.MZXML
SUBJECT_SAMPLE_FACTORS           	-	62	Sample source:Feces | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=62.MZXML
SUBJECT_SAMPLE_FACTORS           	-	63	Sample source:Feces | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=63.MZXML
SUBJECT_SAMPLE_FACTORS           	-	64	Sample source:Feces | Diet:Chow | Treatment:anti-PD-1	RAW_FILE_NAME=64.MZXML
SUBJECT_SAMPLE_FACTORS           	-	65	Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=65.MZXML
SUBJECT_SAMPLE_FACTORS           	-	66	Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=66.MZXML
SUBJECT_SAMPLE_FACTORS           	-	67	Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=67.MZXML
SUBJECT_SAMPLE_FACTORS           	-	68	Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=68.MZXML
SUBJECT_SAMPLE_FACTORS           	-	71	Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=71.MZXML
SUBJECT_SAMPLE_FACTORS           	-	72	Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=72.MZXML
SUBJECT_SAMPLE_FACTORS           	-	73	Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=73.MZXML
SUBJECT_SAMPLE_FACTORS           	-	74	Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=74.MZXML
SUBJECT_SAMPLE_FACTORS           	-	75	Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=75.MZXML
SUBJECT_SAMPLE_FACTORS           	-	76	Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=76.MZXML
SUBJECT_SAMPLE_FACTORS           	-	77	Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=77.MZXML
SUBJECT_SAMPLE_FACTORS           	-	78	Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1	RAW_FILE_NAME=78.MZXML
SUBJECT_SAMPLE_FACTORS           	-	82	Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1	RAW_FILE_NAME=82.MZXML
SUBJECT_SAMPLE_FACTORS           	-	83	Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1	RAW_FILE_NAME=83.MZXML
SUBJECT_SAMPLE_FACTORS           	-	84	Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1	RAW_FILE_NAME=84.MZXML
SUBJECT_SAMPLE_FACTORS           	-	85	Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1	RAW_FILE_NAME=85.MZXML
SUBJECT_SAMPLE_FACTORS           	-	86	Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1	RAW_FILE_NAME=86.MZXML
SUBJECT_SAMPLE_FACTORS           	-	87	Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1	RAW_FILE_NAME=87.MZXML
SUBJECT_SAMPLE_FACTORS           	-	89	Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=89.MZXML
SUBJECT_SAMPLE_FACTORS           	-	90	Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=90.MZXML
SUBJECT_SAMPLE_FACTORS           	-	92	Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=92.MZXML
SUBJECT_SAMPLE_FACTORS           	-	93	Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=93.MZXML
SUBJECT_SAMPLE_FACTORS           	-	94	Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=94.MZXML
SUBJECT_SAMPLE_FACTORS           	-	95	Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1	RAW_FILE_NAME=95.MZXML
#COLLECTION
CO:COLLECTION_SUMMARY            	Feces were collected from ad lib fed mice around 9am, the day after the sixth
CO:COLLECTION_SUMMARY            	dose of anti-PD-1 or isotype control. Samples were stored at -80°C until
CO:COLLECTION_SUMMARY            	further processing.
CO:SAMPLE_TYPE                   	Feces
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            	Frozen feces samples were transferred to Eppendorf tubes with ceramic beads on
SP:SAMPLEPREP_SUMMARY            	dry ice and disrupted by cryomill (Retsch). About 10 mg of homogenized powder
SP:SAMPLEPREP_SUMMARY            	was weighed and extracted by ice-cold acetonitrile: methanol: water (40:40:20,
SP:SAMPLEPREP_SUMMARY            	supplemented with 0.5 % vol formic acid). Extracts were vortexed for 10 s, kept
SP:SAMPLEPREP_SUMMARY            	on dry ice for 10 min, and neutralized by NH4HCO3 (15% in water, 8.8% vol/vol of
SP:SAMPLEPREP_SUMMARY            	extraction buffer was used). Neutralized extracts were vortexed for 10 s again,
SP:SAMPLEPREP_SUMMARY            	kept on dry ice for 1h, and centrifuged at 21, 380 g, 4°C for 20 min.
SP:SAMPLEPREP_SUMMARY            	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	blank1	blank2	51	52	53	54	55	56	59	60	61	62	63	64	65	66	67	68	71	72	73	74	75	76	77	78	82	83	84	85	86	87	89	90	92	93	94	95
Factors	Sample source:blank | Diet:blank | Treatment:blank	Sample source:blank | Diet:blank | Treatment:blank	Sample source:Feces | Diet:Chow | Treatment:isotype control	Sample source:Feces | Diet:Chow | Treatment:isotype control	Sample source:Feces | Diet:Chow | Treatment:isotype control	Sample source:Feces | Diet:Chow | Treatment:isotype control	Sample source:Feces | Diet:Chow | Treatment:isotype control	Sample source:Feces | Diet:Chow | Treatment:isotype control	Sample source:Feces | Diet:Chow | Treatment:anti-PD-1	Sample source:Feces | Diet:Chow | Treatment:anti-PD-1	Sample source:Feces | Diet:Chow | Treatment:anti-PD-1	Sample source:Feces | Diet:Chow | Treatment:anti-PD-1	Sample source:Feces | Diet:Chow | Treatment:anti-PD-1	Sample source:Feces | Diet:Chow | Treatment:anti-PD-1	Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1	Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1
(2E)-7-carboxyhept-2-enoylcarnitine	835.67	275.62	117865.94	635746.94	323634.25	469742.59	103437.38	190252.86	223560.83	534838.5	325324.78	451744.09	141724.88	168945.16	9339.72	63387.98	33349.42	15926.11	78410.27	58201.07	7392.57	6400.27	5526.43	16771.5	6716.05	38225.43	14741.96	27386.16	7492.94	11580.27	9993.75	22979.69	9711.48	15361.73	20874.66	10556.02	7257.52	10017.89
13-epi-12-oxo Phytodienoic Acid	330580.09	583577.69	4923027	4167020	4377240.5	7773651.5	6792367.5	6215724	6936927.5	7667662.5	4658143.5	8643129	5170666.5	8021728	949633.75	1553313	1555773.88	1072565	1807621.12	1200450	44055840	1583469.5	1596537.62	1077793.12	1512270.62	990016	1235631.12	1009963.69	1940716.38	1304441.5	3092984.75	1996922	1398919.38	800965.5	1186984.38	905284	3225248.75	1924499.5
13-OxoODE isomer 2	1179091.88	2167723.25	6759198.5	5029705.5	5740532.5	10365168	6622814.5	8448517	9182141	12071664	4456824.5	12589855	5408498	7660715.5	2002820.5	2805797.25	2718988.25	2055202.88	2559208	2126348.75	32437518	2666086.25	2763836	2860119.25	2905737.25	2391728.75	2676031	2482024	3254909.75	2627708.75	3515223.25	3197158	2697570	1715892.38	2254421.75	2011390.88	3511193.25	2924304.25
15beta-Hydroxydesogestrel isomer	4658.95	6422.44	1452984.5	959612.06	1291224.38	1720011.88	918009.75	848347.5	1024902.31	2122582.75	903458.69	1775209.38	774267.56	1428966.12	345089.41	302133.41	1366022.88	477566.53	487509.41	414489.22	1674357.5	438280.72	471242.38	192100.17	563273.06	217592.7	375730.72	453304.22	338132.59	445880.78	598591	1004857.31	469952.59	226485.17	337120.53	523263.66	366710.78	297334.84
15-deoxy-delta-12-14-PGJ2	5415.04	17191	843450.81	1004275.81	1027943.5	974926.69	607651.44	740012.19	713806	1101153.38	783095.5	824629.19	842566.94	737377.94	203727.33	441753	540738.5	385857.47	591473.12	569292.06	154120.72	257209	260385.45	162566.58	367545.16	374203.66	301661.34	358179.12	267530.38	260290.38	202528.61	393732.03	205831.3	221186.56	260511.38	273998.22	185739.67	263205.47
17-phenyl-trinor-PGE2 isomer	3083.82	28009.87	431317.75	414380.16	813676.5	517136.5	505504	357495.28	435062.5	402821	427419.59	451682.22	341348.09	506313.91	116661.18	179810.86	102246.51	159450.83	261084.31	182078.73	82609.49	89835.71	183295.05	68611.13	143641.95	242663.45	142423.98	185426.88	130054.23	82846.53	93496.43	269916.84	142363.19	119058.63	175862.08	218309.33	114950.66	236025.83
1-hydroxy-2-acetamidofluorene isomer	0	176.67	286022.09	198901.86	289247.59	578565.94	277789.53	288863	340911.72	457123.84	297471.88	471485.28	192045.45	425651.66	351538.59	570820.81	793788.19	736285.31	1067209.12	714603.19	320645.72	392989.03	413263.09	215639.36	365383.5	736203.75	318565.25	465051.78	345749.06	363949.25	340077.34	1325280.38	675783.56	414232.28	710916.69	739406.94	269293.88	517481.16
1-Methyladenosine	375.59	340.42	521191.59	577554	469221.72	525231.88	245009.86	506366.75	316330.53	447828.41	483132.09	336956.84	655125.94	294772.84	6948.24	35284.73	30966.42	25546.01	72553.61	52649.23	5245.73	2904.2	6096.45	3924.35	6189.16	11275.92	21191.5	11646.83	9091.95	9153.99	14022.95	23890.64	13605.61	6217.29	7573.06	46039.37	9127.84	19166
1-Methylguanine	0	0	594214.44	146131.89	573574.88	1733342.38	408806.84	190985.7	290580.47	5170829.5	421142.84	1167497.62	447860.66	965732.06	129339.01	10348416	7585524	3627117.75	361925.75	4544060	4716977.5	462502.78	1360836.5	9074649	179922.33	7527734	2775455.75	1054599.88	9887925	14227257	8628559	27866330	20794290	19203934	34916756	25009174	8476576	25970910
2-Aminooctanoic acid	791.32	1384.56	3747456.25	4447000.5	3564663.75	3344192	1712863	3799426.75	2615439	2308968.75	3826574	2844688.75	4562338	2466583.5	1928149.38	8805588	7244110.5	5406142	13556899	9036101	1232596.38	1562070.38	1563036.38	1167524	1838056.38	2610514.25	2305644.25	2442080.25	1624227.62	1836067.62	1818062.38	3240187.25	2383168.25	1890413.5	3496881.25	3456917.25	1451147.38	2976261
2-Phenylbutyric acid	49380.91	1513651.5	19068938	15595003	22953446	16566816	13183593	13675531	18743402	22281422	13540741	18583098	14444368	15499341	18826942	26931806	34889668	43296264	45400820	44522544	16542481	27889200	30394342	12416927	19979346	28779098	28477746	27698254	26710974	21683704	26955894	28551120	28892320	20053486	26109136	25198592	16867138	20431984
3-Acetylacetanilide isomer	1039.47	911.26	356085.62	354046.91	291884.09	340608.53	181393.98	329722.97	225375.11	286934.03	257717.61	218206.8	407286.91	174795.64	7727.72	30999.48	23213.02	133737.73	62907.38	31033.95	6640.67	6392.68	7458.84	4727.19	8677.46	29527.69	11760.31	13799.97	8441.92	9456.77	9480.72	13708.8	7864.04	6187.57	19340.8	16888.59	5268.2	11973.07
3-Hydroxyhexadecanoylcarnitine	1977.69	0	119930.71	106762.73	125591.82	219591.38	126807.48	70336.18	176714.17	0	109004.51	109543.16	93243.84	292243.03	70269.88	188640.73	281256.38	166448.44	139553.41	52317.62	39656.54	42717.58	52847.21	69416.23	0	15170.88	20194.1	16324.99	30545.56	297263.62	458061	225462.31	485758.09	92708.75	599664.25	34940.21	33457.29	32308.79
3-hydroxyoctadecanoylcarnitine	7773.81	4668.43	232731	277614.28	292662.34	515573.62	359479.84	201792.89	367292.59	359992.88	201262.86	278315.19	191690.08	417658.97	215464.95	409433.25	680612.69	502759.34	557351	230051.05	132755.56	176176.08	195465.67	198489.8	159983.08	148316.02	24496.48	71248.41	38200.85	671107.94	853726.5	728047.56	694160.56	282777.91	806087.81	58610.95	31114.92	74697.22
3-hydroxyoleoylcarnitine	2513.24	4379.22	751652.81	1832908	2414939.75	2126926.75	1280329.12	630846	2464619.5	2407520.75	1328032.62	2101877.25	550851.56	1600099.62	58218.5	164498.33	336003.88	207253.75	239317.31	43543.1	59687.21	109269.52	83408.21	84233.43	40200.71	44510.79	28467.57	26449.03	25312.95	643650.19	962600.69	341209.88	544823.38	127612.85	854724.69	36846.92	19577.6	36623.49
3-hydroxypalmitoleoylcarnitine	8969.53	10965.44	307555.47	334009.84	610687.19	309448.41	251754.2	214040.33	276679.34	247756.3	341031.97	284463.03	237296.86	323851.84	45546.06	96023.84	103673.21	76057.83	74250.93	29339.99	56537.81	54458.22	58941.09	22404.19	61602.88	41005.07	34729.02	38798.77	40907.77	208384.14	393874.16	144669.78	273790.16	89453.88	289203.38	27694.61	33837.72	37918.42
3-hydroxytetradecanoylcarnitine	0	2002.32	266130.5	297193.03	606583.5	385020.84	281662.12	331649.78	401068.5	368379.53	312052.03	338722.88	364391.38	417309.91	57348.08	103818.29	104040.09	121554.84	140929.52	71699.82	72644.17	50644.35	50979.79	46138.31	46990.13	51996.21	56545.39	53017.5	53014.92	125385.79	234175.12	147618.58	298507.25	52204.03	191146.3	71302.84	42167.36	84492.57
3-ketosphingosine isomer	13015.17	29067.26	7690360.5	6195610	5513552	4609846.5	4579052.5	7022524	8541351	5131222.5	9260248	6755520	6114752	10510511	22742528	38363156	43440708	42396684	90661288	46708864	2139245.25	5694232	6462506	1700007	5624554	5058678.5	22323362	12498976	7148547.5	10369547	18456946	34603788	6181705.5	4829465	6095911.5	7575414.5	2825975.25	3422002.25
3-Methoxytyramine	1554.11	545.81	662103.25	707030	633214.31	609330.44	335848.25	665588.69	474625.25	345824	655561.69	472295.25	775105.19	353652.34	17616.54	56860.23	63676.58	50426.34	162224.64	64985.47	14839.45	19754.62	17900.16	19363.52	21295.29	56255.32	29327.2	20734.95	13394.92	19575.63	15653.46	44279.82	22682.24	23146.42	20482.2	38896.98	14593.14	53057.04
4_8 Dimethylnonanoyl carnitine	13571.78	12425.79	279987.88	343547.19	476682.75	301729.81	246438.83	247191.69	319268.72	447042.62	271038.59	294249.22	390828.97	468063.72	138269.23	170751.98	224537.38	274469.25	362141.09	325357.38	47331.39	67509.73	66936.84	62813.25	53917.82	73675.45	67640.61	70968.8	68282.91	118192.66	138762.2	89122.65	179958.05	66457.3	223004.33	35435.42	32342.86	43884.03
4-Guanidinobutanoic acid	103398.56	35582.58	838316.5	506806.09	795178.31	924158.69	617095.25	1165064.62	591370.31	8642189	435108.5	2195706.75	1776119.38	475734.62	239280.8	872967	755996.31	584468.38	626766.5	665379.69	393641.59	278711.72	243013.8	225795.95	318709.97	1033288.06	210470.17	258571.08	346975.38	327136.91	218204.58	352351.66	102320.15	394383.62	423370.25	567411.94	253879.61	937161.75
4-Hydroxyisoleucine isomer 1	23190.51	64.81	4022057	5439888	3855506	5470497.5	2747361.25	3931040	3319370.25	4696284	2842655.25	2838587.25	16049599	7822030.5	104329.22	491893.91	552824.88	426267.66	969576.75	616410.75	22692.37	116466.12	60020.36	35929.84	74737.16	276262.53	125329.35	307591.56	96813.47	343825.53	261793.02	626301.81	171214.05	113509.15	516743.84	605538.31	172008.12	392192.16
4-Hydroxyisoleucine isomer 2	21169.1	0	3986404.75	5394569.5	3827192.25	5430965.5	2727716.25	3891826	3290809.75	4663781	2806796.25	2819612	16002479	7809021.5	100085.59	474495.25	541807.5	414060.22	946873.19	603564.75	20581.84	112260.73	56256.18	32240.87	69231.94	264348.72	116220.75	296766.97	89513.4	333588.84	253433.3	614938.81	164941.25	107261.59	498994.66	592971.5	167942.64	381578.59
4-Phenoxypyrimidine isomer	12641.08	8351.1	2408413.75	3444533.25	2572284.25	3122517.75	2367043.75	2891365	2906698.25	2820943.75	4859929.5	2958184	3202892.75	4159389.75	5924621.5	9376769	6990541.5	9730517	13198971	8542319	4111414.25	6525604	16823398	7595026.5	9478271	10380905	17417862	13065016	5193660	5898217.5	7793193.5	7995956.5	7453648	9877200	7687842	9037431	4090443	8273664
5-(Benzyloxy)-2-sulfanylphenol isomer	224.41	0	32298.8	119801.24	57732.41	23813.55	82129.23	132618.67	58257.79	86547.93	104170.1	104253.29	62812.14	51390	29616.72	171943.17	91974.88	51040.65	165024.73	172044.61	21259.71	61809.72	19077.05	29323.11	28754.79	162537.61	110625.9	181001.3	130037.93	361193.59	219453.02	314795.5	904794.69	1251268.12	712291.56	453740.59	501688.41	532192.44
5-Methylcytidine	0	0	1363223.62	1335926	1136052.38	1346657	623582.56	1275865.12	674862.94	1043323.69	1002220.31	706964	1431666	647829.19	29423.66	75651.66	60076.53	46255.75	109088.32	97383.06	8721.97	20179	15049.22	7837.8	12640.78	21969.01	24777.61	21363.86	18754.46	11130.99	14679.75	18862.23	16747.84	9041.15	15446.89	19970.01	8609.55	9573.81
5-Methylcytosine	2997.7	9063.72	479133.75	246660.55	362403.66	689236.5	368668.97	156496.2	276112	943492.5	396917.03	495992.75	152238.77	338931.12	33793.83	310251.59	360466.41	185681.45	95973	74493.41	159199.12	112512.97	378858.47	593519.75	196773.11	172102.64	360846.53	323897.66	193121.69	76026.85	346810.47	243915.94	477274.03	262016.62	413128.84	352079.59	490798.25	352849.47
6beta-Hydroxytestosterone isomer	109907.66	254685.48	444720.66	367317.59	308470.78	323328.25	348061.78	345290.59	327989.28	291295.09	395373.88	356336.25	421018.5	411444.5	279390.16	445329.75	445876.03	389875.22	464079	430709.59	290792.09	301489.94	250893.48	201683.67	371445.41	338039.5	316736.88	375996.53	296104.72	270637.5	318111.78	311310.16	343002.34	202737.98	285645.75	281675.47	301516.62	243263.77
6-Keto-decanoylcarnitine	2743.42	2768.76	26937.17	37377.64	21060.28	21307.96	103193.66	26522.9	21324.22	41413.62	72305.5	20172.88	18607.12	8937.14	24947.44	14454.68	12246.89	12498.62	20305.46	17811.29	14763.71	13275.97	8344.75	12011.64	13361.31	24224.23	7925.14	9437.83	6840.64	23544	11895.21	8930.56	13015.92	14190.07	6437.2	11981.68	7946.95	15463.3
7-dehydrocholesterol	0	2343.9	3717237.25	2412037.25	5187163	4561293.5	1855757.88	2149566.75	2985791.75	3495187.25	1902218	3116098	1880107.88	3129791.25	2126358.75	1933849.5	4170985.25	2531510.25	2552234.75	2425128.25	2429493.75	2328079.25	3426080.75	2824763.75	4226630.5	2296819.25	2362060.25	2557696.75	2261233	1747016.62	2087513.12	2735279.25	2917122.75	1957145	2857663.25	2601404.75	1541797.5	1809092
7-ketocholesterol	10543.77	26107.73	2012968.5	1702857	3053939	1960756	1279868.25	1374252.62	1979922.5	2263808.25	1165712.88	2174452	1666249.12	1848494	590749	681999	1369729.5	1032386.5	1055004.88	953736.25	1603752.12	641252.69	1437122.38	795279.5	724158.81	718978.25	614380.56	615227.06	633962	612599.75	637410.75	1088524	755974.69	590526.31	673156.69	718711.44	497636.84	690782
8-Amino-7-oxononanoic acid	1118.12	912.65	923846.56	866000.44	734482.69	644470.56	425493.88	765223.06	466122.25	351802.66	1029732.56	472965.25	372288.72	181019.27	4016.54	22055.49	10640.89	62203.62	41775.86	25465	6606.23	135116.25	32574.77	30008.38	15767.52	119162.7	37210.46	43333.95	10038.83	71787.2	181916.14	417588	37786.8	78932.94	183170.86	43610.4	9296.22	12832.39
Acetyl-DL-Valine isomer	1100.91	762.99	714503	784807.75	727759.5	839384.44	432733.72	665209.06	370551.88	966485.5	831872.69	762537.69	1772392.38	599708.75	416057.12	1242904.5	1148855.12	920229	3550174	1910674.88	152974.86	414036.72	578151.38	336900.97	920378.94	878132.94	4232185	1546186.5	2936403.75	3728729	3245604	470242.41	15442984	2029394	22525074	22879248	3004124	22965190
adenosine	1392.37	1877.57	2311526.75	8352278.5	3425774.75	3520411.25	9616179	14214145	3413907.25	4716089.5	8007395.5	2526326.25	14463627	4978431	2966766	4230621.5	3528207.25	3090139	31913390	30706394	353360.03	2486331.75	1400963.38	1332825.5	2091574.5	9181494	3629936	8796083	1844797.38	4134880.75	3369117	3321192	1523861	2263883	2526058.75	6083586.5	2987937	4001350
ADP-ribose	0	0	58289.25	110022.87	21231.28	16375.76	25920.64	86385.63	18102.97	27024.41	162111.92	32574.49	113224.04	3645.31	761.37	888.73	1028.24	1938.9	38070	28166.29	0	3441.07	612	0	568.65	16405.16	15962.53	9279.6	2792.68	2548.38	1638.56	17842.65	4124.05	17936.65	32973.51	145565.92	21198.56	39873.9
alpha-curcumene	73064.73	174441.22	1454610.62	1133244.12	1927960.38	1694411.12	1123365.38	1147237.38	1147080.62	1618371.5	1114022.88	1593549.38	1162867.12	1200958.25	277512.16	346298.22	394073.34	460917.75	520645.5	395168.75	489436.62	291446.78	296322.03	242149.62	337201.69	342525.34	422377.75	408050.5	403851.62	345451.16	322133.22	480403.34	337373.75	320693.56	308413.22	362892.47	331686.12	329183.34
alpha-Linolenoyl Ethanolamide	7922.49	36271.83	682537.31	311916.28	498155	1490092.38	313018.66	468953.09	591853.31	523332.91	448094.59	636746.06	435962.16	727516	594601.75	394952.09	3332203	705771.44	1335779.38	983691.31	1549626.12	489134.66	721446.31	267974.72	302120.66	219729.17	352895.12	402615.84	552951.75	498329.09	478161.25	1139075.12	658487.81	183032.73	452291.25	729000.81	202368.17	336697
Amyrone isomer	0	0	3344451.25	2470840.75	3520723.25	3296353.25	2238396.75	2575538.75	2605356.25	3346369.25	1789960.62	3458625.75	2384255	2814210.75	1213893.5	1937370	1831376.12	3457005.25	2185854	1687327	1673101.38	1878368.38	2482844.5	1154138.5	2009250.12	2368415.25	2874985	2618349.25	2431215.25	3147060.75	1412495.62	3397261.75	1975249.5	1700999.62	1334106.88	2314647.25	1212108.88	2314611
Androstenedione	10369.38	16954.4	332265.69	439562.38	438077.47	307994.84	240781.39	285058.03	398393.53	525544.5	433022.25	374640.53	349631.25	342612.38	311149.66	416568.88	610223.5	528688.19	907143	737724.69	218218.8	344951.25	302550.09	239481.92	370271.53	330835.53	410091	508142.41	337912.56	368538.53	273575.41	435953.66	331605.53	276079.88	309190.03	370542.88	257200.92	347945.47
Anserine	39458.64	1349.51	120395.2	218749.55	71276	100589.88	77234.91	175907.95	111637.82	148240.81	181628.05	96990.38	222979.45	66818.36	34313.29	125526.85	123371.41	130305.04	469171.12	383159.75	46386.36	122851.98	76206.79	90522.47	182196.2	172121.14	114550.25	121368.31	81050.62	107958.44	62474.25	177630.69	30902.27	77016.51	66499.82	144854.36	85589.3	199346.94
arachidoyl carnitine C20:0	1888.22	370.89	31362.05	22204.82	26827.84	23864.86	22703.23	16507.2	19121.01	26809.72	13311.94	10565.49	18108.01	44393.5	591.33	52968.76	119568.73	72228.2	64163.46	100899.13	22785.26	27331.94	28828.88	24999.75	34160.3	41128.95	41179.64	43290.06	27601.89	43480.09	28038.4	80617.73	31516.71	22556.72	32515.25	36317.29	14546.49	29406.08
Arborinine isomer	0	1613.54	82255.62	390923.09	79962.06	67386.88	51133.31	296845.62	104725.12	105938.37	501387.41	78861.47	513666.22	33085.53	18556.77	76380.71	37114.46	41649.56	157970.77	123574.66	7865.61	29584.5	9147.32	25498.37	15345.22	102413.12	54895.18	93153.5	27907.37	41776.15	43809.16	95556.5	109467.06	73792.56	107807.09	306587.28	99404.82	140830.86
Arg Ala	416.17	167.96	514148.66	631500.56	16011.38	93405.66	363424.53	206267.73	57600.16	76352.41	410019.03	63591.98	718646	704641.69	45372.43	571519.25	54471.18	29256.2	76888.04	535106.81	8253.86	226603.67	28297.25	144372.25	105582.77	91299.2	271059.38	253895.44	161759.83	226587.2	282026.81	56058.58	201640.12	161108.23	35663.11	863943.75	354182.97	174699.42
Benzyl butyl phthalate	84995.87	387212.59	305381.16	819088.69	130438.72	197856.95	215024.12	265715.91	112342.84	281098.62	186103.08	1097628.5	181842.7	225594.06	166526.55	158142.95	159271.33	703136	219004.08	319502.09	215622.19	259155.05	7006273.5	251119.31	449735.25	296955.44	325359.53	195853.55	226417.67	180653.61	279442.16	264846.97	268009.34	497028.88	442176.53	205697.44	421451.28	312994.28
Butyryl-L-carnitine	12353.34	6070.61	104263.4	59458.31	135977.11	385148.25	57933.79	54242.15	90314.24	281566.78	55608.94	110562.98	130456.25	1020288.94	14551.67	54197.11	23510.07	34521.83	20196	14855.84	35137.38	23386.72	47282.66	99470.37	13046.4	130332.91	11035.36	13811.12	13162.27	107998.6	96774.96	95376.66	66111.91	96592.73	103135.06	49728.81	8426.77	36440.59
C19:4	79048.73	179486	3292651.75	1917226.88	2427439.25	2864185.25	1547672.62	2497966.25	2669356	1332220.75	2119348.75	3892442.25	2278748.25	2969951.25	487822.09	1106034.38	1205443.12	896022	791126.69	794224.69	1026851.81	416483.47	465070.59	308534.62	586790.44	670678.25	523272.38	589455.5	643686.81	399816.16	522406.62	1094143.38	406950.41	438547.12	560321.56	651629.75	362537.84	669039.69
C20:7	4174.76	8635.23	584380.69	641862.69	553380.12	574025.06	358467.66	385589.5	463088.84	788077.75	476210	599402.62	483953.53	503763.62	156466.8	345905.84	336568.66	344139.28	456187.66	374887.72	235406.11	199647.75	220327.06	194711.38	218988.27	214863.2	229670.95	295354.22	228467.94	187321.81	149481.48	270287.47	188174.36	160491.06	215102.56	225979.62	148386.83	229703.77
C21:5	31950.8	74225.94	584821.56	420922.41	450628.78	488690.91	388271.09	407340.09	475500	407758.53	472945.78	573035.31	461174.75	474461.22	258696.3	384933.78	425735.34	444262.84	507611.59	400748.41	296161.72	309470.31	365334	202065.05	343703.72	326786.47	375388.59	377141.66	411721.5	347963.84	315687.53	455461.28	391864	278964.19	374659.88	456766.75	368776.25	419370.34
C21:6	26666.91	43901.99	272309.22	229577.8	333682.91	383419.88	227749.92	242966.62	232867.62	377438.88	293598.78	372787.47	257369.25	289060.91	199691.23	264799.62	278159.44	335327.66	350603	300482.47	186382.94	244641.38	281226.78	148934.11	245562.58	283336.25	315604.16	259393.48	307034.91	347464.25	251816.25	358077.91	217165.14	188310	248784.05	268433	253069.12	291642.5
Calcitriol	23431.55	51478.79	5435658.5	4170136	6748832.5	4464758	3026490.25	3507928.25	4960375.5	5510893.5	3416910.75	4791084.5	4770313.5	4646533	2031018.88	1720093	1854473.5	2167977.75	1552453.62	1785755.88	1132019.88	1505639.5	1797801.38	782952	1714170.88	1556925.12	1868404	2266012.75	1383793.38	1197421.62	2230291	1053670.62	1269647.38	1668406.38	1026617.25	1462911.38	1056388.12	1285084.75
Canrenone	2305.84	3122.9	375972.78	430907.84	364556.62	300796.91	254537.7	284808.97	340473.34	444305	305354.72	313865.72	378898.75	246136.95	64333.37	154845.22	136025.64	109885.06	156118.12	140011.67	88593.46	92136.06	87902.41	58892.06	107985.27	75654.03	120313.2	114711.71	82751.69	82402.08	61588.08	113000.88	55601.59	56291.93	82332.34	84063.84	57201.53	68683.51
CDP-choline	0	0	59612.02	448514.5	54572.73	72790.64	55939.43	487089.78	122789.1	53356.96	646333.06	88073.18	585172.75	37794.86	8113.66	3609.55	2757.55	29666.8	181498.5	58056.7	8598.43	21515.23	13807.45	1154.11	9814.34	44479.14	40800.85	36321.18	6880.53	13996.65	23771.58	58626.25	27406.41	20311.21	34170.94	57520.28	13040.82	23738.55
ceramide(d18:1/16:0)	8144.44	41795.54	97669.19	78871.52	73762.93	111519.6	112264.29	105760.45	110372.77	89883.88	100122.31	104616.65	81517.77	111600.6	480402.22	274006.34	602688	206572.64	284441.34	303303.66	998376.19	510594.84	614729.81	227641.61	303494.53	281153.44	361255.91	251365.08	260135.23	397002.03	421847.66	239467.62	238734.61	165443.25	215876.95	241758.56	354781.88	280892.41
ceramide(d18:1/18:0)	7799.7	38304.39	28849.12	15528.67	10544.26	15960.5	36476.66	39478.5	23305.78	27169.88	41502.22	38702.96	20079.94	53836.17	243598.86	130301.79	277271.72	118454.09	256984.38	204630.55	102950.88	124193.4	151173.98	57370.31	81431.58	75064.87	131747.2	149733.55	121033.12	159455.03	171089.33	84870.48	123412.35	60769.34	32819.54	144852.27	162340.77	107273.88
ceramide-dihydro (d18:0/16:0)	1575.78	19265.69	36149.75	17676.64	29315.11	15638.81	79133.78	19385.82	75442.59	11944.87	31419.54	39293.21	45825.5	28063.7	116783.59	76148.27	174191.5	55328.59	73808.64	74635.12	148052.77	114309.16	142619.81	94762.99	119526.21	62157.37	102538.88	129584.91	98874.34	120477.16	135891.33	59565.92	140333.64	105293.54	104248.27	151574.95	192031.08	143172.98
citrulline	24239.92	3658.48	3580025.75	8849117	4373024.5	3067062.75	4139778.25	6026612.5	4178893.25	6099768	20430086	6200828.5	8788740	2365593.75	3569411.25	13117816	7759532	5839297.5	19418246	16748151	2748654.75	4609506.5	2926417	5246577.5	2338038.25	10396481	6982259.5	5501090	3938631.75	7244785.5	2982807.75	8338764	2387320	4735531.5	2961092	7073286.5	10456639	8767256
CMP	668.14	0	46270.48	129824.5	51592.19	62736.22	45989.95	293912.19	105988.09	43037.09	450484.09	82115.41	308538.59	18737.67	8628.54	7983.22	9805.29	9203.54	56337.53	11467.48	6361.62	13530.49	9734.54	2385	6795.58	38538.6	34593.72	28464.12	15791.7	14275.91	19175.27	38917.22	55396.44	87861.16	85818.68	160552.44	29819.02	86638.22
Coscinalactone isomer	474.64	0	4331997.5	3996990	9019243	3906280	3983128.75	3590400	4250545	6507360	3760846.75	4654617.5	2875630.75	6495933.5	935072.81	1189865.88	3105350	2278554.25	818034.94	1067463.38	1219107.12	692441.25	1824523.88	421155.84	1146102.88	1124964.38	793676.75	1192461.38	1079479.12	1502431.38	1037898.06	3290671.75	1161786.38	1134682.62	1208209.38	1197095.12	468034.78	812914.69
creatine	1035704.69	12583.73	2455547.25	3217691	5666376	18751930	8153804	5042579.5	13132252	69165816	2441782.75	13833363	1478750	4341618	1463428.12	2885419.25	2909572	8106298.5	2020247	2355678.75	32423352	10287192	21736728	16875186	2407523	65141932	8135839.5	9142683	13123439	33219654	3244437	6229477.5	3647826.75	29616086	7916448.5	36564876	11584953	67241080
Creatinine	22143.03	11465.73	3909843.25	2693332.25	3124898.25	4836678.5	1940452.62	2774488.75	2096561.5	133150072	2164267	18632194	4267907	2956647	924316	1024634	1600603.62	4140133.25	766959.31	1309817.12	27912376	2501314	8263336	53598944	1614093.88	21635984	1674796	3046641.25	2753874.75	2109794.75	982557.81	3036004.25	1686304.5	3118250	689368.81	11258756	1654656.12	14497405
cytosine	946.36	415.32	108510.96	566656.5	365742.09	27003.96	216799.81	118535.05	151829.92	749000.44	354952.34	316192.84	229871.36	55015.38	247428.8	594951.19	402041.09	518744.41	927417.94	1079889.88	73962.97	308432.34	127926.91	97047.96	109852.31	831493.31	298330.97	446723.75	342080.97	218376.94	169429.2	387338.09	168499.12	199447.36	221702.58	443582	310951.34	374145.34
DAG(34:3)	0	27104.78	503818.34	579449.69	872238.44	833377.31	409168.41	685154.31	740674.5	490710.03	323931.66	989654.31	436754	663663.31	621681.88	1835674.12	901291.69	1033584.81	842523.25	749734.44	641699.31	281730.94	355321.66	103483.35	870570.31	1054469.62	667497.56	509268.78	876032.06	434355.62	583472.81	1030898.81	404507.34	987736.44	934965.5	1297796.75	421976.47	1460919.38
DAG(34:4)	0	27580.97	375643.91	321092.91	410126.22	463042.91	251580.95	419925.62	434938.25	282812.88	228019.8	550817.25	352190.59	409917.28	1592887	4944168.5	2803634.75	3122989	2467415.25	2111968	1644867	665782.56	954767.69	222962.45	2252222.5	2570699	1607560.38	1257271.62	2191104.25	998997.5	1490544	2892424.25	989158.69	2195198.25	2138515.75	3039924.75	815943.81	3216746
DAG(36:4)	0	17707.66	1287426.38	1449976.62	2987034.75	3325220.25	1206329.88	1538712.38	1836526.5	1148054.5	458290.75	2906069.25	1569022.12	1477147	145790.28	169389.3	149235.02	195604.23	158893.8	222223.12	194405.69	217708	193804.55	126089.4	136923.73	142982.95	153287.86	227007.48	131696.42	101849.1	148374.33	204589.7	118638.06	162060.19	181239.3	235916.11	112310.99	216390.55
DAG(36:5)	0	6296.18	1329962	1235383.38	3150017.25	2995658	701597.81	1170908	1720951.12	1035306.06	425081.53	2648862	1362249.38	1336220.38	160716.11	162549.86	185538.81	221922.52	211162.55	234686.38	221987.92	261580.5	236255.62	141434.06	157211.12	178217.45	163472.31	272226.19	171744.73	152831.02	177891.39	319636.28	127718.15	224979.3	221128.27	287269.16	136627.95	242929.55
DAG(38:5)	1663.34	5695.33	33608.12	71942.6	29837.56	75760.43	140181.64	59484.93	33119.39	107300.56	42115.38	24212.56	82274.35	24538.93	10102.96	46536.11	10155.58	11215.78	25490.07	44801.75	13519.34	11139.01	32143.53	15725.08	12095.57	21693.52	39466.54	33666.64	22050.75	10060.39	32241.41	47631.93	18858.13	17021.27	37391.25	35590.59	15616.48	19814.81
decadienoylcarnitine	9302.68	5464.98	39645.27	46661.95	61437.27	78962.27	40879.8	31880.5	58889.03	94160.57	36779.68	91379.6	39103.04	88640	9470.24	6165.94	7010.38	9919.8	7350.44	9562.87	23644.06	21833.89	21230.92	15463.55	14479.8	33722.49	16311.17	15127.28	18514.15	21563.63	32348.31	26771.61	35970.5	20714.93	37643.88	15770.21	17616.27	9202.43
Decanoyl-L-carnitine	2285.7	2728.08	48288.35	16132.14	157868.55	153575.66	50997.28	37222.88	73498.63	127267.22	116479.75	120969.46	82582.37	701372.69	18457.21	52052.04	36729.05	43645.19	23748.6	20450.56	15905.81	23073.94	58110.83	29622.6	16203	43674.61	7043.67	20524.56	39806.98	188008.44	232683.42	165779	299190.16	78393.05	471506.28	4729.56	4456.69	7173.48
decenoylcarnitine	11484.83	2518.73	35397.95	38551.89	131188.84	132494.3	45771.94	22674.15	83959.24	205814.58	47727.37	127246.65	36898.21	233432.8	11575.42	36030.35	33939.44	23177.01	13951.4	23445.16	142434.31	30379.87	51876.44	19462.32	16930.22	145909.3	5141.24	18198.88	27312.18	189451.45	231637.55	147215.36	160376.75	64922.45	165506.38	7027.07	19598.43	6989.23
Diaminopimelic acid	1308.66	291.47	538277.75	660242.5	390895.16	356794.03	298323.03	639351.19	314917.62	447543.72	630119.25	411344.38	620485.81	445487.66	20378.99	93625.69	83158.5	76595.15	191092.38	167261.64	30337.04	25927.53	33436.27	38529.29	36412.05	44610.26	59287.3	71537.51	52630.77	38752.04	40745.06	82070.48	68038.35	47438.99	163876.03	69174.55	32458.97	83360.43
Dihydroceramide C2	9064.34	40895.25	568593.56	387417.78	291527.16	446868.41	792202.81	424524.22	644729.5	1628045	437457.09	710836.81	425444.88	873911.69	4761732.5	7946207.5	14491796	16817184	37734340	25151880	608007.19	2296761.25	1408450	1093227.88	901341.31	2991312.25	3675548.25	2774253	5909733.5	7501939.5	3878778.25	7313594.5	1476998.12	817787.19	2267766.25	4187095.75	1894216.62	2255587.25
Dimethylglycine	0	8290.02	831281.31	2341900.25	720630.19	562594.75	456209.88	2769769.5	812875.19	765555.06	4872295	776653.75	2436249.75	395774.47	78338.91	520403.28	394482.25	247999.14	391101.25	384594.41	61175.11	79924.44	109379.68	204554.98	61963.72	157337.61	205236.83	258199.31	110867.65	161584.56	156402.64	301269.91	748254.31	482012	972469	940132.44	879143.5	1544390
DL-Pipecolic acid	15839.74	21374.81	2784874	7310269.5	3123430.75	1931660.88	1390604.38	4444794.5	1216432.62	5062281	6086837.5	2229758.75	8252066.5	628146.38	224554.62	1236200.62	644438.19	514393.66	2309483.25	1706651.62	735265	607719.94	320990.25	283909.12	405059.25	2398524.25	302673.09	425825.09	429759.09	665754.56	370458.53	441868.09	148903.2	453886.91	712657	672645.19	296546.22	662337.19
dodecanoylcarnitine	2341.17	2015.11	2683626	2816637	3857852.75	2840972.25	1954598.62	2023340	2448138.5	3750570.25	1995304.38	2424975.25	2586475.25	2950657.25	88654.75	336220.28	425235.5	269671.91	159500.08	72276.03	178995.2	125961.69	233912.02	168640.95	76722.23	105918.35	65475.67	81695.48	159832.52	636892.75	789612.06	993676.56	1578057	343382.47	1375567.62	63028.46	32706.71	53880.16
dodecenoylcarnitine	4903.81	10827.67	182730.94	477170.75	996309.06	548293.06	169470.48	113273.34	672817.31	773936.69	332128.75	689870.25	228234.39	1074077.5	18198.39	93956.15	74751.26	89612.2	58095.24	26558.68	48345.66	23665.31	61566.78	36504.47	22960.32	37552.09	11634.72	36996.14	33291.78	257136.67	443311.03	262198.22	479109.62	116042.71	435150.41	19938.21	5793.65	19406.87
Dulcin	1738.3	739.66	221919.38	133433.3	69444.56	173013.12	76845.41	185345.42	143443.7	188641.75	126324.19	208443.81	177151.7	90764.12	262405.91	736968.75	1067195.12	530280.38	807520.31	1591604.62	485486.78	442691.12	374400.91	363289.84	355195.97	756653.5	386937.66	589327	533781.94	126188.56	151419.66	315340.47	166303.5	133597.14	108143.01	423203.88	505023.03	444210.88
ethyl serine isomer	5534.68	2485.93	2218754.25	2870604	1824381.62	1914982.62	2300045.25	3475746	1706362.5	1979539.5	4874475.5	1709984.12	4065830	1331214.62	294638.66	757879	353745.12	328786	1167162.38	1447285	811592.31	690981.5	1079156.88	1110215	450969.03	1647037.38	611063.31	969781.06	575086.94	1153940.62	941204	552761.44	553858.06	404363.91	1195077.75	914011.31	594370.56	1508439.62
Formimino-L-glutamic acid	3098.1	1423.36	404901.03	445632.34	905945.81	873892.69	1223372.12	495522.28	503901.66	1028423.44	749599.44	957979.94	993635	506000.47	681955.06	2442755	1130826.88	2462173.25	1018912.5	1511103	815212	3296863.25	1152805.25	2051859.12	659891.06	13303352	2146186.25	1564503.12	2523385.75	2504070.5	871238.31	4354442.5	2341523	2844778.25	1771951.62	7798496	1539158.38	8964272
Formylglutathione	0	0	1405.33	1462.69	11262.08	14867.38	5527.48	6508.22	9073.17	7245.32	5362.47	13077.04	1306.42	3220.09	3073.12	12668.56	20071.97	29946.04	28783.56	9071.71	12787.94	2352.54	3131.2	4627.38	0	4663.26	31244.33	40213.5	25571.82	33276.59	66360.8	113240.49	48520.41	35796.59	119343.68	207187.11	97232.84	219990.8
Gabaculine	4293.7	894.6	32102182	27957786	27657120	32345840	17189258	30594498	20063826	23719584	27569554	26555286	30491670	18192824	531365.62	1226362.62	905657.69	1073168	2440602.25	1194758	461690.41	820250.56	942995.69	775732.31	683301.5	1542024.38	1811862.88	1021901.31	638352.94	1068559.12	828817	1238642.75	663945.69	895450	1186971	1659270.88	562630.5	1133459.38
Galaxolide isomer	44277.11	88565.01	1128844	1644544.38	1502589.12	1618410.5	2264296.25	775431	1170700.5	3996970.75	1262373.88	1860883	687739.75	1481295.38	193421.48	278302.12	345124.69	260205.62	354668.84	318665.16	1012424.44	214753.98	255110	184176.58	239646.75	231855.27	255130.62	270101.47	213552.31	230463.42	255494.25	387151.88	233146.81	231011.83	278878.62	267391.22	248835.61	311475.53
gamma-Butyrobetaine	24640.35	18532.28	71951880	209563856	97564888	94993560	42726676	153190128	111552056	93391528	308381504	66034528	211757488	39582936	49124220	74554160	99710912	99007392	366746496	230893696	39628108	131175880	50878464	33013002	142661264	178746912	134900336	105775848	83539240	65604716	44099524	102236632	18590574	19339786	43726944	92301016	23738434	58964944
Glaucasterol isomer	528.45	5109.94	962250.19	824522	1396705.88	1575693.5	801700.94	792102.75	825332.5	719840.69	719950.75	1491819	668584.69	1793270.38	1289552.5	3277338	4532080	3747222	3153991.75	2922374.75	866824.44	820999.81	1465054	634478.62	1745586.88	1284062.5	1161678.62	1091601.5	947762.94	1420024.38	726640.69	2170622.75	1253969.62	788976.44	1220878	1497634.38	530188.06	1338427.38
Gln-Ala	501.06	0	1484812.62	1613155.38	2038458.38	1678141.88	1008226.31	1637348.12	1196386.5	1694753.88	1506769.12	1240385.38	1640586	918963.81	7391.7	19569.97	19409.54	24489.03	36455.56	27149.92	10898.44	8145.22	10474.98	3980.05	6624.24	27055.25	15256.37	12528.25	8320.48	12228.41	7594.91	13136.68	7157.58	12834.74	9402.25	21574.08	5900.96	15249.18
Gln-Glu	1120.78	0	2178565.75	2488229.75	2581935	2625207.75	2212776.75	3078957.25	2581218	2575168.5	2375700	2250804	2033411.38	1894322.38	43702.52	85287.8	83808.65	98815.34	108950.71	80720.96	34481.82	30540.89	40507.32	17277.75	32156.79	69895.4	54466.7	63458.11	22450.51	26319.55	24605.61	53961.39	30574.05	77264.82	35224.01	40043.91	18088.63	46268.83
Glu-Ala	424.42	704.68	223134.19	438470.66	198283.38	574166.5	186038.58	496120.16	175494.86	276298.75	770350.75	346927.34	286517.28	128233.96	16968.01	73847.98	34206.26	32468.67	120119.6	119682.76	13427.65	21560.62	11597.38	12086.42	11711.47	58746.67	118694.15	88883.96	38236.02	39295.23	30382.57	69404.88	54267.02	101733.74	177596.75	280381.59	144506.44	159904.23
Glutarylcarnitine	1852.95	747.74	1089426.88	2556212.25	3181892	2100395.75	1106565.5	919936.31	1606388.62	2598768.75	862186.25	2784751.25	2231671.75	1166718.25	637072.06	5040676	1675420.62	3236099.75	480379.16	495145.47	899319.19	1140898.5	609235.94	1477337.38	917918.94	7200284	85914.23	715574.94	325772.41	3208850.25	2294629.75	1834585	328938.03	835906.31	3346358.75	85819.63	71441.82	154842.53
Glycerophosphocholine	8806.11	2348.72	5294947	1148810	3196649.25	12860845	3184561.75	1127991.5	4280941.5	8860984	4985700	7818030.5	2195222.5	1533826.38	1344748.25	3955968	5860697.5	4140672.25	4824926.5	2646217.5	2864202	818775.31	1313711.12	1579263.62	748119.31	3191306.75	5114754.5	7816551.5	4310322	6348908.5	9376679	17009996	15640383	10668722	25014024	38462628	22567976	44201236
glycolithocholic acid	725810.5	137715.64	156605.17	164694.73	181936.39	192591.58	228843.89	221794.58	281076.03	261612.89	188330.64	202736.3	143366.73	103219.46	1682387.5	1054805.88	806623.06	1658394.12	1499844.38	1010790.56	1739587	3957438	3513221	1168903.5	2575276.25	2552239.75	3294193.25	2737862.75	2643836.25	445010.5	1039592.5	653306.31	309704.97	740829.06	283094.38	1473641.5	1031117	1268167.12
Glycyl-L-tyrosine	0	442.42	337241.66	310685.62	370549.62	291491.62	150592.8	307586.09	237610.75	278200.53	259882.08	209028.62	279033.25	170896.69	17501.08	50792.02	58671.65	57503.16	77018.27	71598.7	21715.85	33172	21909.28	19463.41	28437.26	24996.43	51635.86	29777.3	33043.61	34758.5	30483.08	49486.42	27520.16	12291.05	42729.17	45802.42	9044.21	40948.08
Glycylproline	4913.21	3176.51	558955	665729.19	774111.25	740292.31	522107.91	738171.75	638281.31	754584.44	591579.69	570224.69	678652.75	471951.53	50741.37	203439.08	166923.67	228186.55	458013.88	185262.75	47195.02	49260.54	58310.94	25067.83	61908.78	223455.7	98638.45	88112.23	50856.84	55848.4	71543.01	164190.17	65389.99	52236.72	89304.71	101483.9	30440.52	106276.15
Heptadecanoyl carnitine	606.26	533.82	38404.84	37098.88	75322.78	72541.28	31282.76	24782.68	38957.44	30260.47	17443.25	31524.51	13649.01	126710.56	0	1303279.62	4835768	624701.56	347209.59	357937.25	29268.23	106719.96	128527.75	74050.7	43998.11	88554.66	38417.47	54285.61	79745.73	258278.81	113877.53	428054.75	117922.91	138437.28	125383.07	70710.52	31195.56	51592.51
Heptaethylene glycol isomer	270.11	0	1022469.56	1369073.62	1025177.94	948348.94	1068007	861074.94	1002237.94	1500696.88	864547.5	766178.94	1085297.25	534170	133609.73	231681.8	350943.41	524229	430354.97	314113.59	350309.25	164676.42	273905.47	143158.86	230485.75	782818.69	161896.92	194861.27	211228.95	176987.02	281765.88	426941.59	168175.02	217621.8	361287.25	428554.22	147317.23	342948.34
Heptyl p-hydroxybenzoate	674753.81	1333242.62	583208.94	510374.09	425572.16	539154.44	669935.19	621826.31	589992.44	443680.25	646505.31	424876.41	563132.56	520726.38	529131.88	844756.94	668692.88	607494.62	594320.5	817581.75	758844.5	982115.19	709547.31	1012635.31	1191382.12	723052	975410	889754.94	863756.81	833482.25	932788.06	695902.56	1216720.38	762805.69	731074.75	729243.75	1188565.38	700460.06
hexadecadienoyl carnitine C16:2 isomer 2	0	1029.46	101938.56	44610.12	222287.08	396626.5	96806.09	38625.14	125215.38	191209.45	90556.38	166323.33	41449.69	491711.12	44180.79	168531.75	288716.09	194007.88	177122.11	28167.12	27526.33	21171.85	76125.21	67118.62	14071.36	63826.97	16548.72	25374.75	30643.42	370870.5	185238.77	474149.16	460246.75	61957.73	396854.03	7491.35	5762.97	8870.42
Hexaethylene glycol	2467.87	0	524164.66	1288595.88	1238417.38	517762.12	1266916	516475.78	966917.19	1408435	598424.31	811648.75	381914.16	412881.03	347950.31	441182.28	831995.5	1301226.62	1178575.5	524926.44	474744.09	408096.34	758860.69	331225.34	535246.5	1737944.12	270898.12	356034.34	539651.44	335817.84	842258.06	850718.94	408015.75	595418.94	890148.81	830139.44	309798.16	675841.56
hexanoyl carnitine	4975.47	15702.68	30057.61	24214.41	96874.78	49693.03	21683.19	30323.01	43724.41	235523.2	48991.36	155235.12	38334.08	531951.25	11558.23	42025.19	19392.98	20520.83	25162.94	35157	18977	27131.79	26921.45	56725.88	13575.27	66852.41	16149.36	24898.35	34433	154990.31	48266.31	145274.8	67312.73	32310.97	108768.21	23079.15	18534.17	16826.61
hippuric acid isomer	7979.05	12962.41	273976.22	237389.05	276400.09	279568.72	180074.83	235575.12	157180.59	578649.06	203540.62	213018.3	311688.91	166849.55	41929.5	104955.94	51630.98	96842.12	37255.42	40637.05	36626.87	52509.11	65511.98	36096.32	58611	77121.32	32932.19	42784.75	43520.82	58569.23	78546.79	33115.54	89428.55	61587.84	91584.13	75619.21	59755.66	82095.59
histidine	475.42	383.39	1376237.5	1517599.5	198113.69	554020.5	475969.38	874264.44	123124.38	685473.25	1141042.12	294515.38	730426.19	707363.81	43727.17	241289.69	65500.86	55261.16	161611	448041.38	13852.81	42261.93	13434.5	114689.73	23006.58	28367.67	75146.16	47709.75	26177.21	28237.34	21215.63	28873.5	37741.02	7399.73	4900.57	23601.08	39791.64	8007.03
Homocitrulline	2876.83	348.24	571489.69	774722.69	1103661.38	1710759.12	488106.66	849523.06	573286.06	1004906.06	683610.5	1050622.75	1090580.38	484207.91	175744.92	722734.5	589980.38	738976.5	1262101.38	695076.19	645185.19	295870.59	198364.2	3127953.75	570284.31	1428259.62	1009748.81	891666.31	339703.03	200642.23	178247.23	293462.75	113358.12	207513.02	129181.31	540620	181624.55	331045.91
Homomethionine isomer	0	0	173786.27	252656.36	63935.91	283903.97	96678.6	340355.94	166112.2	205153.25	317811.47	238042.88	382316.66	174048.7	65650.43	243789.38	173716.98	44791.77	239641.33	250186.31	29880.87	43292.24	46596.06	157249.2	29472.42	72493.71	110636.98	165427.55	93186.55	67750.24	103380.18	116274.59	163392.75	356849.41	251530.12	876123	499017.41	1071800.88
Homostachydrine	2436.94	1429.56	7029873.5	2409382.25	13243236	6381939.5	2319650.25	2920588.25	1554730.88	77968416	758891.69	10669069	7285530	3177539	16345.71	31362.29	341157.41	55318.04	101573.69	51095.07	82539.98	24823.35	39264.71	13022.48	41588.39	340830.28	21958.49	21099.09	25807.9	12381.82	20769.39	54230.23	9408.88	21512.15	19467.19	27278.28	12854.54	31887.4
Hydroxyaspergillic acid isomer	3835.86	2902.95	208450.75	224371.61	200313.33	690854.06	194756.17	171435.42	163695	1157409	190398.7	218644.38	140693.11	101655.04	7670101.5	148597.2	4300799.5	18124202	460373.47	305991.75	956167.44	170899.98	604826.69	2260690.75	59259.67	851390.5	68306.16	48117.08	224570.42	527583.38	46517.61	224691.62	1013022.19	248210.61	415147.75	11213477	2765910.75	5659898
hypoxanthine	0	189.17	958536.06	8291152.5	3973898.25	261369.12	625820.94	891913.81	1450621	5113162	5111781.5	3289198.25	1242342	84388.95	2301053.75	9858515	3292233.75	5569998	2059145.38	2589851	1102319.75	2630811.5	866603.75	374089.84	1127916.88	7827494.5	3366136.75	2977062.75	3249012.25	5646152.5	1738713.12	3879724.25	1472304.5	2429489.25	3289419.25	5128984	2324915.25	2968192
Imidazoleacetic acid	38771.32	882.33	144968.59	115192.15	107343.09	164273.44	66331.87	85589.59	27943.44	760777	383092.34	163748.92	212212.73	45462.28	14664.61	44330.57	27738.74	15609.32	24380.83	24474.06	78357.7	46493.72	11628.08	65725.84	34724.66	335366.75	28103.88	39733.75	63055.04	36114.56	14513.95	27028.59	15335.25	22603.48	67908.03	28270.25	25475.51	51411.86
Indole-3-acetaldoxime N-oxide	5197.25	6297.43	73012.41	86819.12	82247.75	66781.57	72109.11	176458.7	151741.42	51417.39	48550.85	84804.12	96909.72	140252.48	1050376.25	2706888.25	3384206.75	1219689.88	1628891.38	1810343.62	1654162.38	1059278.12	1803242.38	6005678.5	1097500.12	1435005.62	1588547.62	1872309.38	2694799.75	1453954.12	1157954.5	1196475.88	1298746.38	1610847.62	3110828.75	2527119	4512493.5	5154825
Indole-3-acetamide	4075.47	6480.51	105318.9	99288.22	60377.27	72696.59	98856.52	124616.68	106019.34	70501.96	116033.66	81651.05	111396.88	127927.88	631422.56	776988.44	939778.94	514487.25	330590.94	680941.31	960804	480816.72	647289.56	2082507.38	785784.44	381336.88	564916.12	832431.19	757381.31	626640.44	660605.44	720061.94	642201.56	1019104.69	1216310.12	994589.56	1678062.38	2009762
Isobutyryl carnitine	12419.58	5207.46	104638.59	58352.37	135022.98	387313.41	57366.53	53020.32	89444.85	280202.41	55879.23	109787.13	126951.84	1020152.44	13891.48	51756.22	21432.9	32375.62	17852.94	11439.28	34137.04	21266.26	45857.76	97489.69	11594.37	126923.81	9422.74	11894.65	11310.2	106181.06	95950.53	92509.96	65029.27	95514.44	101492.09	48127.34	7169.98	34965
kynurenine	477.26	1555.99	124879.41	70506.18	95213.12	90002.21	45529.11	66587.63	74683.25	96738.88	84898.78	51105.78	92086.26	77840.77	77198.46	124590.88	97490.97	96286.34	60214.25	97475.27	89218.59	145107.98	140243.27	92341.52	130770.05	178746.05	143316.55	124780.45	123776.35	81917.27	94272.06	110373.41	52159.62	30181.21	72314.21	95572.97	58309	82021.76
Lactose	8712.61	0	156714.3	305969.22	74227.97	70508.26	40306.01	274670.41	85405.99	114616.18	244190.2	59438.23	473165.53	28879.86	71275.12	715357.31	409567.25	180529.62	1008444.5	866062	79680.9	82053	51488.94	40286.61	43425.12	219109	129180.5	93716.91	62742.26	99844.25	58841.58	130221.03	69402.63	60504.91	101193.35	61230.78	31531.15	68564.21
L-Aspartyl-L-phenylalanine	571.16	0	194110.05	215918.56	176227.8	227285.45	156186.45	230458.38	149384.23	192331.86	217624.81	181340.62	215312.14	179694.62	23605.33	89384.8	70399.16	78691.11	72910.89	79102.26	26129.76	17339.99	34648.99	22080.14	31923.53	53325.21	60808.64	46329.92	40482.84	38636.42	51911.7	79122.32	34916.07	28100.37	57757.46	51125.99	25221.7	53906.8
L-Carnitine	236244.06	86065.78	13129755	22028590	17534470	16651045	9735124	15947363	24258630	61307756	30837738	18222242	29461584	16605137	3483866.75	7116516.5	8002598.5	7823280.5	17122926	7323724.5	11858928	12717581	8472207	9866514	6981177.5	35965996	4758996.5	5798335.5	5218228	11510884	7022801.5	8864104	3154724.75	5201602.5	7098571.5	9530561	2333506.25	12368853
Leu-Ala	3144.55	956.21	5998966	5914093.5	8619124	8690577	3831980	5966171.5	5673950.5	7539965.5	4287531	7472010	8947822	4765014	702134.06	4629736.5	3739590	2403245	1059400.5	3080406.25	1545726.88	2119509.25	2092851.5	2794374.25	2356309.25	7731794.5	3254762.75	4442020	3130164	2374794.25	2134220.25	3377989.25	3775200	5559559.5	5097647.5	7156000.5	2931294.75	5728293.5
Leu-Leu	4246.13	825.2	155041.25	161383.77	245212.75	1052838	180894.05	595426.94	148904.84	985892.44	711624.44	412313.91	482720.22	304707.34	38150.98	185099.92	335254.47	107451.29	824540.31	339368.47	16210.46	10900.5	16929.25	12107.42	23183.27	73316.91	26820.28	29259.93	24325.08	75485.04	27318.54	83013.18	17549.39	25143.7	81982.41	86275.35	19562.81	191306.2
Leu-Thr isomer	1227.12	376.69	242278.12	234724.56	285044.72	382558.38	151565.86	231268.11	192371.12	564111.81	211728.88	237831.88	725646	409074	335358.62	2061365.5	1424638.12	325132.88	1119276.25	2367535	304035.28	396969.75	417993.09	422544.12	532600	1140197.62	951258.5	1130594.38	445869.34	334099.28	358063.72	509687.59	558921.75	472573.66	1328991	1004410.25	366567.88	886546.81
Leu-Val	1269.29	1221.46	167142.61	549640.25	150966.5	76438.52	104462.97	436045.12	111779.51	140828.89	544172.44	110649.3	455520	40990.49	512179	2928812.25	1683300.38	1801840.62	5257672.5	3122659.25	312856.97	1014440	323671.72	244249.08	602595.5	1859587.12	378804.75	576688.12	624876.75	726486.19	581080.19	819910.25	230722.3	602811.19	1523276	1269905.88	586918.44	1551464.12
Linderanolide isomer	643418.06	1082972.75	20856962	19693446	40665932	31296496	11377597	13258264	22310658	22042626	9131139	29688728	12164160	19175694	1289229	1240608	798374.31	771238.81	1162711.12	1409897	1078771.88	1134688.12	691629.94	860003.19	1052352.25	931955.06	1250106.62	1220389.38	1226950.88	1030127	1120763.38	723791.19	1474143	804826.19	1576569	1989439.62	2406828.25	2368865.25
linolenylcarnitine	586.12	434.34	77851.9	35402.39	113137.16	209457.08	59481.14	27127.55	90021.88	93794.48	48541.17	82461.52	31916.43	251298.2	40232.4	274760.97	695974.31	356128.91	526194.56	66141.52	21938.52	21587.47	102396.9	39053.5	18092.29	50784.78	29508.42	37363.64	39729.38	431429.97	312566.12	749482.5	238045.48	31632.88	225160.3	10787.88	4377.07	8087.91
Linoleoyl carnitine C18:2	735.96	1197.4	428105.84	287398.59	671549.62	930280.94	374657.25	89130.43	386907.25	487582.38	184864	443966.09	122379.77	1178899.62	2317.9	1261919.5	4545998	942408	1444183.38	331351.06	145311.67	123207.54	465770.91	239802.94	74544.02	143808.02	122252.55	160673.39	169617.06	1294935.38	589320.31	2063979.12	966970.81	225957.86	772715.69	113232.1	58712.29	106500.62
linoleoyl carnitine C18:2 isomer	1052.35	2433.67	206260.08	196266.95	312301.69	472918.41	337869.19	111335.5	294513.22	328252.22	195988.02	288742.03	100766.74	422800.47	194374.42	469356.38	1040447.25	223255.98	375522.09	163265.55	259356.67	138871.36	327492.44	157174.47	93948.95	77886.13	83625.71	100856.5	104584.02	513250.41	347001.94	462001.5	1062488.25	247799.7	747110.31	71064.19	85334.66	108325.66
L-Pipecolic acid	21916.5	10197.82	708936.81	1558040.62	657590.44	874628.06	336082.16	1496938.38	639915.88	731772.94	2925270	552265.06	3541979.25	360759.38	200716.33	628013.69	653582.56	308148.22	1287985	1224527.38	140093.31	164140.19	168436.42	199564.52	220603.88	307810.72	566690.94	445135.34	427156.75	394326.97	350873.53	742168.31	552880.56	302490.41	455737.28	1008821.25	223728.05	475644.38
Lyso-PAF C-18	0	0	350068	174138.25	267970.62	391479.91	258919.39	114758.75	219441.88	346121.5	72892.74	173916.2	57464.66	244387.89	132080.27	86989.21	280372.66	91166.52	39769.61	84941.97	572037.69	283546.81	461226.59	183020.73	251498.92	100885.4	102202.51	139571.75	206184.73	61464.88	117885.16	198338.86	84050.71	75207.4	123858.97	79816.06	58795.27	87785.96
LysoPC(14:0)	0	365.17	542376.44	216331.08	369280.34	370268.75	285775.53	117287.87	222170.25	389703.72	98713.46	265410.69	68175.93	288382.66	75411.18	146187.69	239403.45	117615.49	156467.88	72387.53	819221.56	365680.97	533816.81	253877.05	277876.22	470772.38	304499.34	269412.66	574544.56	215012.62	199859.92	481578.25	238487.81	345967.22	354499.09	391266.84	324794.62	707410.19
LysoPC(16:0)	10078.5	4851.24	3139633.25	3619435	5772662.5	4755217.5	4531156.5	1223476.38	4160493	4617354.5	2321882	4527024.5	1495274	2867048.75	1194346.62	1680008.38	2811693	1554280.38	2933224.75	715635.5	12739880	3262410	6669980	3345295.25	3178796.75	5209605.5	2113025	2524777.5	5442887.5	1512091.62	1418479.38	5082689	2509155	2356483.25	3829633	5008041	3759463.75	6800744.5
LysoPC(18:0)	3284.99	723.63	1258694.88	592889.44	2486574.25	2866829.25	2040938	690566.88	1731898.88	1484016	546779.44	1423762	483442.5	1128536.38	1420391.88	1223695.62	2618049.25	1135146.12	2561639.5	505255.09	19254398	3548210.75	7532756.5	3065206	2888916.25	3193618	1529158.62	2133442.75	4263510.5	837995.19	1577452.12	5857576	2207507.25	1143609.12	1194272.38	3016760.75	1366579.38	2444629.25
LysoPC(18:1)	2044.53	0	17628822	21595090	21051614	19759534	14609635	4868911.5	12812000	17861144	7475974	17621916	4672525.5	14034235	630924.81	1269104.75	2599574	1238815.12	2667732.25	430869.62	5599384	2661434.5	4820052	1756011.5	1380301.88	3558377.25	1369183.5	2047193.62	3516481.25	883366.56	985726.81	4811807.5	1560764.12	998330.44	1542291.5	2572272.75	1387627.88	3320228
LysoPC(20:0)	0	3242.26	248453.17	118808.96	158510.69	264515.88	187734.83	78237.6	228460.08	269692.75	74413.74	240104.8	48089.18	246283.2	144545.73	107642.52	373638.12	148818.67	124853.31	98680.6	1075721.88	427601.91	655990.94	256440.75	316720.75	197683.75	96237.49	233879.88	350370.5	124331.24	164598.52	399919.75	121006	80848.73	86547.43	176504.2	83170.1	140080.5
LysoPC(20:1)	1136.38	0	65810.15	79608.83	104875.85	104176.63	78567.65	39365.52	93028	101339.93	57565.02	92632.23	49968	51128.18	39987.39	28090.72	48124.38	25108.29	104240.09	0	340138.97	94914.94	187844.61	97106.95	61736.86	75947.35	26135.96	35893.01	88523.88	14717.43	47592.55	158186	40960.61	26627.01	17372.66	67881	20585.72	40398.51
LysoPC(20:2)	0	0	132268.17	87859.69	114238.34	190243.95	80977.09	25918.45	107303.52	141227.11	56356.18	133625.58	39124.18	88271.56	9068.12	46133.99	121876.06	25759.44	156331.8	13034.7	233184.55	107994.74	222939.55	90477.06	51215.34	129041.79	58700.56	96406.23	196151.94	40068.81	53941.91	210291.33	61737.94	34697.97	34309.41	99388.01	33121.86	81134.74
LysoPC(20:3)	0	0	173557.08	250705.61	529148.75	328426.03	497804.84	482883.5	478597.5	346768.03	434561.28	551213.25	317725	221938.31	604339.31	392985.75	889779.31	428539.09	452711.91	391395.91	1785724	1463644.38	1480141.5	1238026.12	799516	1843510.38	1069147.38	1380131.25	1013496.75	1481718	1098255.62	986292.56	775349.19	1446197.62	1287820.88	1481308.12	1301880.62	2963674
LysoPC(20:4)	0	0	36320.58	26533.7	61342.47	46592.06	31168.18	11269.48	19078.38	39026.62	19323.91	38035.28	6868.92	18901.79	21355.9	81148.69	35408.28	15150.16	60274.75	10765.42	240551	152179.08	115730.26	46489.05	19789.77	301634.78	9537.82	32902.52	92192.77	43109.12	28468.93	125847.09	62379.76	56909.14	69451.82	88677.53	84751.61	167559.95
LysoPC(20:5)	0	0	104266.44	155264.7	322777.59	190027.19	106299.63	43015.09	90353.78	257506.73	72505.47	161736.23	28791.86	178075.2	0	5189.47	0	0	0	0	23450.67	15212.52	7985.59	0	0	52438.71	9125.81	0	5216.75	0	0	19862.93	6312.58	0	0	6631.31	5395.38	12950.34
LysoPC(22:0)	556.84	609.45	188405.45	165996.52	175124.75	139252.33	201905.2	97539.31	209777.77	175005.42	88168.63	173122.36	58823.47	180994.73	175157.94	129834.06	189741.06	143840.55	119251.78	216451.95	317089.28	354634.41	279338.69	174035.56	202538.83	209665.98	151870.3	253140.33	319209.12	156853.38	195045.12	176705.88	75707.59	67161.73	118674.23	120390.5	59144.91	100114.84
LysoPC(22:1)	0	9933.3	89788.26	46943	91824.56	106460.84	60830.97	48192.97	71197.38	88839.71	31875.67	88989.73	30477.06	68342.41	117210.69	44773.27	181616.42	79178.91	105426.31	56500.57	252054.45	197500.05	329092.84	163058.73	128640.41	152051.31	84464.5	132465.67	195386.11	92428.41	85956.74	248596.45	70867.57	39617.39	47565.14	95471.35	29199.26	82024.7
LysoPC(22:6) isomer 2	0	0	463578.78	248709.12	942603.75	458677.78	222360.33	121417.19	202017.56	973363.69	154694.02	386770.66	85100.62	454558.53	0	8623.15	11111.41	8980.49	4875.74	0	90098.6	62631.47	77672	9637.88	20271.31	107283.96	7379.7	30691.69	35686.73	10317.99	0	110519.96	28347.3	26410.23	33802.07	76642.51	30106.96	132409.33
LysoPC(24:0)	0	0	179499.31	123144.37	109470.97	129974.94	208629.95	85211.88	195687.08	214655.14	133503.36	161347.14	71843.11	150418.81	173631.03	140235.34	113527.46	116532.28	98968.5	221379.77	262530.78	340748.84	333207.47	179058.73	185437.45	207324.17	127026.09	233398.44	232208.7	156456.2	193388.44	113107.03	67901.15	72340.51	139234.92	98378.02	67226.98	88137.34
LysoPC(P-16:0)	0	0	783628.75	400922.66	1645026	6640668.5	650104.81	290638.41	849830.81	1036589.19	329457.78	616413.31	290282.53	868674.69	294660.91	571134.44	1504342.5	580825	2090759	257637.36	2276542.25	982438.94	2058895.12	721797.56	823875.5	964538.31	841503.19	802667.5	2272715.25	610863.06	424010.25	6107497.5	1044607.56	395844.09	470992.91	779621.81	314092.5	685820
LysoPC(P-18:0)	648.35	0	508749.22	184502.05	812047.19	1797341.12	370061.22	131090.95	360883.22	554855.94	123351.24	316724.62	104114.59	398794.78	91839.21	117503.88	283174.84	131937.08	208017.12	73632.43	700672.81	329506.28	722907.5	281046.47	252970.2	288715.66	157447.55	245985.95	583132.94	94028.71	147838.88	500799.25	321498.81	153031.7	141428.69	220709.86	88591.45	190502.27
LysoPC(P-18:1)	0	1598.79	161287.05	80753.84	267866.19	1289927.12	145623.25	53526.14	188295.7	167363.45	88120.31	132264.36	85438.07	141789.77	72982.45	156342.28	354863.66	116422.09	667381.69	7926.23	617567.56	273531.81	358923.53	242558.55	175767.14	277443.97	246922.55	173271.06	528338.69	147958.61	117141.81	1623523.62	254304.23	73524.27	73051.62	182716.61	59959.3	98708.04
LysoPE(18:1)	22261.99	0	218390.33	319596.47	239068.92	279879	422466.34	123819	229151.23	207137.11	131877.36	225073.83	77347.16	188116.36	37726.57	80049.38	87290.27	25484.27	59613.17	0	235235.08	52028.33	70730.05	96668.66	39822.47	128868.27	15037.98	8256.26	94580.84	52702.57	37472.67	171364.61	72560.09	52960.89	72022.16	49351.45	18283.02	63694.12
LysoPE(18:2)	0	0	2089874.5	3265649	2343578.25	2480197.25	1536041.38	834540.56	1380588.38	2172489	1006826.5	2427475.25	560162.94	1385097	29823.41	118240.68	59118.25	64460.92	36588.09	35244.67	193719.64	118192.34	98926.41	39236.51	45525.18	141901.27	51065.94	53608.44	97869.12	40407.6	34559.74	169315.42	94252.19	56385.89	69772.82	94627.46	88290.23	117150.62
LysoPE(20:0)	0	0	632390.88	399790.47	889209.5	1001201.44	521809.47	154029.92	514168.16	559556	193102.8	490821.66	199056.95	581688.44	240633.58	301289.72	807127	381816.09	878621.75	149638.89	3150390.75	637665.19	1715299	485119.97	594951.19	646210.81	316757.09	553901.69	1024853.25	267600.53	332416.12	2008239	397702.09	217264.45	328793.72	669514	325229.41	534397.5
LysoPE(22:1)	0	465.15	128329.46	85779.24	126932.75	120747.23	126960.98	38190.61	78706.55	93014.12	47484.23	109297.12	34328.12	107753.84	32302.84	39457.61	72804.63	29431.69	72249.89	40513.73	261547	93953.91	137955.16	83342.01	54250.66	63379.23	40456.36	66988.53	112231.2	29671.73	38455.86	149971.7	44772.33	25236.12	39555.24	78286.08	20609.62	56181.68
LysoPE(22:6)	1726.68	0	41369.23	29899.28	68837.61	39701.23	40338.41	36211.39	38027.38	70263.86	30456.71	45573.09	30710.74	34188.59	24849.73	22946.23	51423.75	24836.39	26831.39	32337.38	24423.31	0	8690.77	10349.68	2063.79	15118.88	0	6702.17	21514.07	12946.71	13939.08	32966.93	12018.17	25207.44	32492.63	33137.91	23589.37	23701.86
LysoPE(24:0)	0	0	20754.81	14741.58	10844.31	31430.26	37664.5	16038.92	22436.19	46686.36	8847.87	34733.52	9315.09	43712.61	29583.51	28399.65	45972.42	31246.58	18244.23	19489.68	99134.79	62844.78	75640.45	44166.83	38644.29	31023.74	18305.07	51803.38	43267.43	32968.13	18817.16	33188.74	18786.61	0	9720.44	28366.97	13635.3	22235.26
LysoPE(P-16:0)	0	0	497617.12	191851.92	920824.81	3309448.75	721111.44	198800.08	780795.25	699347.25	211037.7	609932.81	211362.08	701204.94	513829.03	557963.31	961464.25	576615	927941.69	263887.78	4917622.5	1425362.62	3472657	1119916.75	1244186.5	1371959.12	861528.5	1094324	2393073.75	593565.75	797673.31	2633270.75	1465798.38	1059500.25	946722.94	1332195.38	642337.12	1271175.12
Malonylcarnitine	392.31	500.48	467766.47	598534.69	971350.69	1018328.19	417381.88	608797.19	416778.53	930518.19	565063.25	682180.88	451359.5	227322.02	120602.29	497233.12	239819.92	358525.41	324538.38	275325.44	305476.03	258486.88	230250.44	221565.19	274737.66	1451205.38	242003.5	328368.25	112984.74	378203.59	189462.42	574842.88	103640.28	370548.12	623715.5	299357.72	69800.93	226895.73
Messagenin isomer	8605.03	42328.79	20387178	16658103	18286790	16462085	16129261	15720253	17873082	17452290	11670459	16453948	15435464	17764528	17848454	28181992	28073624	39752732	28365632	27137056	19822220	35211620	32788214	15886803	25124506	28773002	29856088	34288648	32817702	22921850	24948842	31441248	22905522	18670410	20114690	30850432	21223842	22082104
Metalaxyl isomer	6069.77	7917.35	59899.53	83907.45	45525.75	78002.09	32123.53	62039.88	56732.07	62239.02	49224.41	46221.39	52757.59	49902.66	16739.59	9698.83	13488.4	14725.13	15988.36	25887.55	23142.13	9003.22	17386.57	9551.05	11180.66	19445.85	24105.46	8686.37	13652.31	23500.93	21680.91	30030.86	18153.74	23103.08	14975.46	28675.39	14085.86	23964.58
methacholine	28398.36	24237.76	77529536	185393072	129291680	310031488	116215896	380271328	135522256	90145688	709448640	125326120	79607496	58775328	89725352	196128512	216723824	140899552	715142784	316078656	49712500	91163168	91224328	26261864	156700688	185648080	111821568	152587504	70400040	87369240	100707720	227104400	71097336	86122352	80499984	103272616	14202775	147754320
Methionine sulfoxide	0	0	983285.06	1694202	1391284.5	1087824.62	552917	1347311.62	767842.25	1359615.5	1502996.5	989190.19	1941313.12	817063.69	219932.58	1156650.5	1031409.94	828582.94	1438919.5	929893.31	380074.34	316839.72	383183.16	335858.47	206024.95	893685	753784.5	493134.12	470478.91	405323.28	272432.5	853349.44	300650.16	702240.56	1412550	1401184	1029352.81	1938185.5
Methylimidazoleacetic acid	2684.91	1277.65	3823031	4718348	4771790.5	5298981	1767412.12	3486070	2127237	8448745	2928483.75	4008879.25	5278024	1089878.88	4415918.5	34050816	8516249	15482587	6180112.5	16820018	8161206	1143136.62	941550.06	21451198	951897.5	42198652	1562254.38	1822277.62	464840.28	3399724.25	670529.5	3446323.25	7359141.5	25062856	25637136	2867612	5919392.5	5870202.5
Metronidazole isomer	828.74	0	121845.21	114573.85	149225.19	109586.84	90627.37	139957.69	132922.47	148196.31	118671.72	122188.44	110565.46	95342.88	15922.05	77926.69	81478.05	80769.33	67443.14	77474.37	24837.98	34347.88	12453.98	97925.6	14013.27	30184.63	45651.22	38048.16	60838.09	28290.39	33117.19	40788.42	41926.28	16081.29	78580.84	44171.92	25825.21	65984.58
Militarinone A	0	43173.41	66972.88	52503.23	151052.83	39013.64	60983.44	78478.88	105061.43	81023.74	62398.71	132696.05	51968.32	95748.95	215394.69	155260.36	193022.8	236690.06	64722.76	85335.73	521496.38	267301.12	140406.95	353926.75	123146.68	393743.03	121686.34	256233.92	464914.25	207314.08	124657.27	245745.55	174191.44	536106.81	313435	403205.03	392264.34	464103
Myristoylcarnitine C14:0 isomer 1	163558.19	487386.34	27046210	18393698	18499126	38845920	9540601	19239570	31865898	29961466	8158662.5	42302456	17190254	25541280	280760.88	319183.66	399597.16	278824.97	366365.25	345756.84	324265.72	431724.22	230085.08	342826.09	211230.67	278707.78	317456.66	347464.03	374818.22	255368.8	305780.78	354898.53	351401.22	308591.84	223902.8	371614.16	640790.06	697711.25
Myristoylcarnitine C14:0 isomer 2	0	805.08	195578.55	61699.99	215134.8	327071.12	113865.48	48536.61	195331.94	238262.25	113078.53	205632.98	44051.04	583689.25	165859.08	639022.06	1557302.38	305064.53	294654.06	136729.33	121423.77	130036.31	259582.8	183439.62	67127.93	146178.62	58644.06	80313.51	117211.23	768930.19	202937.95	850506.81	610791.19	118588.73	522309.53	35781.83	32618.9	45568.5
N1-Methyl-4-pyridone-3-carboxamide	1428.48	1874.1	1071148.88	132258.47	922451.69	1363263.12	891778.81	312057.03	244435.94	9542872	1126308.25	1849762.12	307413.16	836744	199552.12	393289.41	382885.78	332716.22	129623.1	97253.93	2502239.25	251488.61	625139.25	690419.75	1255680.12	1065899.25	337300.78	378617.53	449097.28	1017204.44	850528.31	1124999.25	692156	1023770.44	1728557.62	1358649.88	547842	994225
N5-(4-Methoxybenzyl)glutamine	814.79	138.28	13814225	4909713	12621264	40776084	2747480.25	1469071.5	3505298.75	31668554	646497.31	21015750	29979488	20207002	15614.74	405534.5	64131.76	77887.35	30152.58	16467.08	318713.66	649962.44	205181.58	1245899.12	406390.5	2751079.25	201899.83	522363.16	198782.38	59760.25	65619.82	97068.77	244870.75	149888.11	25142.04	225361.52	71606.05	122095.79
n5-Iminoethyl-l-ornithine	860.67	569.71	72899296	64997908	81481792	63046736	48609580	108831336	37061036	66328416	126429928	61931892	22534486	7605142	1932922.62	7777469.5	2885269.25	7789893.5	7910060	5320306	3344240.75	10016975	3266979	7699486.5	4465533.5	23963162	6146705.5	6286892	1757283	4180593	8917065	21997522	1529728.5	4317356.5	9070372	3219497.25	1131916.62	2011804.38
N-Acetylhistamine	638.5	1248.08	77081968	67997112	50555476	50544316	25529760	61765884	39002404	53196320	70128720	38270784	82726144	26689478	3850246.25	9155007	4699785.5	8105160	15003995	11230351	3663132.75	4194042	4466865	1770208.5	4819715	6397729.5	5809574	5218888.5	2897066.75	3589287.25	3829078.75	4191605.25	6958002.5	5347952	10054753	4965314	2278043.5	1875644
N-acetyl-histidine	0	0	1453844.12	2364629.75	1772719.62	857979	556412.69	1189028.62	750087.69	2594006.25	2398053	1492128.62	1241410.12	557539.31	588458.44	579138	510408.41	976539	946072.31	880938.81	1028675.44	406043.16	466300.88	1794361.12	408641.5	835154.5	593823	670969.06	567652.38	604466.31	406317.84	1088209.38	479314.41	521500.16	1172792.5	1726368.5	710486.69	1846492.62
N-Acetyl-L-arginine	13266.4	6171.57	2875585	5267390	3446636.75	2024820.88	1842942	3408354.75	2990739	6567815.5	9559449	5591530	4463383.5	1788017	4692475	3963511.25	3721385.25	12026184	6824018.5	4884300	4087747	4820942	1436250	1035820.06	2947381.75	3882213	10344363	7710200	9898117	8928708	7615529.5	11282165	3702470.75	5422898.5	13420895	20113084	6177154.5	16587397
N-acetyl-ornithine	7405.04	2080.96	2261280.5	1530300	2110082.75	1990337	1619611.5	4054064.75	2532851.75	3361061	2745799	2649398.5	4483172	1875406	312049.22	1222050.5	1754755.38	1110174.62	1236873.5	882952.5	2096435	1267279.88	1558783.62	1350411.62	1265096.38	2459393.75	2415713	2150956.25	1542525.88	1172775.5	1409589.62	3686609.25	1750060.5	1507676.12	1987462.38	2879484.75	1460444	1663331.88
NAD	0	0	2213172.75	11848320	3026006.75	3416974.75	2543631.25	12508195	3359654.75	2358408.75	23735034	3521874.75	11589223	1596249.12	874027.31	2688333.25	1979728.88	1701779.62	5407840	5531712.5	527144.69	1385161.88	628875.44	276526.88	959179.81	3048246	3457392.75	3287310.75	2002763.38	2525520.25	2532386.5	4429938.5	2876572	3645600.75	6801484	6308398.5	2725244.5	7136344.5
N-Alpha-acetyllysine	16393.45	5601.51	6015685.5	11719023	4560856.5	4490162	4272981.5	11441611	6858147.5	9236763	13879884	17475448	16618683	6496910	3419494	11439207	10387583	11023801	15838524	10863389	2089678.62	3455134.25	1349133.38	985724	3030403.25	5042138.5	16820120	13872491	11731349	8664933	12638809	21355832	21296026	15096153	34440816	45100660	19394606	26803600
Neocnidilide isomer	1691964.12	2839812.25	1480899.62	1222950.62	1001333.25	1548069.62	1682142	1587272	1712174.88	1850023.88	1721604.62	1640059.62	1381681	1681878.62	1150246	1746571.38	1285121.88	1382933.88	1271616.38	1545310.38	3846044.25	1930306.12	1796708.12	2337871	2151310.25	1659495	1963503.62	1810509.38	1943376	1677363.62	2034744.88	1526497	2299359.75	1668587	1658334.88	1685503.62	2497466.75	1725612
n-ethyl-d-serine isomer	5889.46	2796.62	2220473	2875057.75	1826488.62	1916310.88	2302257	3478691.25	1708172.62	1982323.62	4881104.5	1710837.12	4070336.75	1332132	295424.22	759375.56	354817.88	330131.94	1168336.88	1449674.5	812948.31	691925.5	1080214.62	1110947.88	451405	1647943.88	611774.25	970537.69	576021.44	1154844.38	942247	553796	554998.19	405296.53	1196897.5	914615.94	595545.38	1509763.88
Netilmicin isomer	0	17175.04	12018189	14815589	12460801	12400469	5790790.5	9143148	6762988	12540345	10004051	6494707.5	11532403	7631018.5	1335648.88	3133284.25	4183770.75	3280476	7589360.5	5503841.5	1385793.38	1042325.19	1222202.38	1088989	1309199.5	3084698	1657111.5	1885489	1346866.12	1682789.38	1072568.12	3843138.25	1448040.12	1124304.88	2007476.12	3876813.25	1367188.88	2894869
nicotinamide	27348.63	37557.06	135750.45	253713.88	300177.09	172123.33	351673.62	308767.38	213041	304162.62	518383.03	388931.41	1325702.75	161060.55	720192.5	626123.31	947460.94	1202467.5	1207535.38	595101.75	536691.94	600492.19	601268.44	205803	622262.12	1188453.5	968008.69	1024727.69	847759	1503573.38	812544.31	1207356.25	387180.41	675355.25	572012.06	1932916.12	403170.97	888055.44
NN-dimethylarginine	2106.84	453.47	1310398.12	3211021.75	1382394.88	1507294.62	695017.19	2054954.5	1027397.56	3646089	4237329.5	897026.69	2874515.25	818148.75	398706.5	2190429	1911325.88	670269.94	2746824	2309707.25	703109.69	333862.38	469537.03	315137.88	352938.91	1070401.12	434774.47	381126.72	580177.5	539419.75	618981.94	682914.75	674753.19	466496.22	724833.56	892388.94	457064.66	608264.44
N-N-N-Trimethyl-Histidine	9519.69	2044.94	148428.78	165814.48	265653.47	159480.14	135404.17	142508.33	141088.88	262274.34	164760.17	154238.89	139414.11	138969.3	52504.7	126376.88	122192.18	132225.86	163011.42	132397.75	43878.92	26632.3	30929.44	70625.48	36656.42	48482.04	27259.78	32773.75	24715.16	43452.9	66031.07	121657.16	48212.23	27601.99	50446.31	32400.1	23876.71	85776.79
N-Oleoyl Glycine isomer	41404.37	204224.92	204221.38	1170152.38	203825.7	278889.22	2159042.5	258578.64	431354.84	3061129	757834.19	723909.31	217690.12	879359.25	72318.73	82193.52	169674.53	97022.3	104687.84	134926.11	1426063	126354.71	94847.72	90468.16	116027.97	98769.29	104746.95	133446.2	164562.92	97370.3	60671.93	122825.12	142426.72	93676.96	80998.23	127899.75	207240.8	159405.98
N-Palmitoyl tyrosine	1562.52	7765.15	3964924	2883085.75	3399806.25	6541084	1820279	1892354	4199445	6294918.5	1296403.62	5497530	2167979.25	3636734	103759.52	131379.17	344663.81	102460.29	131678.95	103795.93	78688.6	145308.3	120718.12	73698.05	98902.09	121270	99270.07	132931.23	109807.49	41445.69	61284.86	116541.6	57154.32	189134.25	182572	274774.28	205928.56	240102.8
O-(hydroxytetradecadienoyl)-L-carnitine	5849.65	1916.01	99382.23	177665.11	271773.22	156631.86	83807.65	66769.57	214346.89	215685.95	254516.62	313782.66	69959.12	175958.06	119218.88	108403.09	106230.51	148677.31	126015.23	173438.73	59970.66	55232.38	102443.48	72215.45	85136.07	89454.41	72630.16	103194.23	90348.56	167877.64	297924.84	244863.88	249780	90097.66	254185.08	55954.89	154247.14	144015.27
O-adipoyl-L-carnitine	1759.96	593.14	137995.75	878559.5	906783.25	664587.19	227794.69	244156.69	620699.81	1567366.12	316176.41	1348054.5	433021.16	251974.64	26127.23	401373.59	94025.04	224515.38	26230.16	19739.73	88615.51	144845.45	89362.98	190076.39	45870.41	1098782.12	14372.34	41378.68	24937.36	703019	427590.47	197888.89	51342.56	86557.8	392903.09	12537.91	10611.21	19705.41
Octanoylcarnitine	9105.77	6177.81	13509.78	18071.29	75200.59	45614.21	19919.08	11975.33	44466.55	121165.66	61356.49	119443.71	28325.26	290535.19	13173.53	42353.42	20309.3	15557.15	17553.77	25234.19	19125.44	15207.76	33701.73	48915.36	12009.01	19099.38	5697.03	4750.63	18428.8	123679.49	78181.59	101758.2	73223.84	33261.13	123169.6	8106.26	6905.88	5484.01
Oleamide	32512.71	48280.02	45812212	34995004	30104602	33497450	32169134	40636436	57874460	32094090	43209424	37029856	31931246	77677288	781266624	1602482560	1750258048	1461147136	2659554048	1755581440	92646200	165135760	241673472	52862368	176052752	137596080	683158528	508130464	317770144	434326880	787462976	1078248576	193969744	111724544	110616904	173719792	96564632	92935720
Oleoyl Ethanolamide	24286.22	44522.05	23060416	16247107	19250854	19634666	11129317	8347010	13285108	26130288	37073264	23599610	11566693	16725263	1894054.88	8805099	22477302	3220852.75	1772188.62	2291383	499560.66	1685002.62	1684400.12	726759.44	733179.19	602646.94	665941.69	803813.94	1141305.12	1611530.62	685556	2333562.5	5020230.5	2207648.75	1001725.5	1771121.38	760597.75	1003239.81
Oleoyl Ethyl Amide isomer	59678.1	0	2135604	1360823.25	896440.56	1699090.38	2279381.75	1919964	2901056.75	1010962.56	1036812.19	1028804.5	1809668.62	5863736	21694672	42737780	68513056	34339584	51172624	42751288	11349628	8698842	19701062	6593634.5	26619274	4127940.75	25298630	24865120	10771441	18661162	37576932	34726028	17640154	10089137	7288622	7314530.5	6879498	5667499.5
Oleoylcarnitine	2597.16	646.52	647961.44	644142.06	1230248.38	1272340.5	387208.75	236188.88	676730.25	547187.69	348783.41	572256.44	208937.86	1653459.62	1435146.5	6143371.5	19014922	2311377.75	1904205.62	1204855.5	276596.84	626373.75	855418.06	463632.91	287099	454280.78	229335.14	377770.59	448058.75	2360668.75	531602.25	1995267.38	1190642	923891.81	851957.56	456317.03	276371.62	399876.66
Oleoylcarnitine isomer 1	1818.97	1810.32	268625.47	296232.47	486097.91	601338.44	355926.28	166772.06	399485.16	315099.22	251330	314766.28	143995.36	650067.25	1057370.12	3452143.25	9196608	1001152.19	697168.94	562039.31	381623.09	595248.19	776087.31	373317.72	261083.33	261984.17	212020.42	291051.34	414226.66	1382168.38	528916.12	840244.31	1275407.38	1001861	789225.69	156335.48	247526.38	217680.95
ornithine	2006.5	2499.6	454830.53	72631.16	903915.25	1978091.5	335256.28	148233.02	114838.59	435024.25	193674.05	350358.72	246919.62	444359.38	39680.75	98558.68	164883.56	65490.04	109280.79	115108.19	587360.38	115325.98	839374.75	1414508.88	111094.26	216874.19	152811.23	135685.94	167459.08	138880.14	187781.19	512391.12	442077.47	106424.34	114528.96	251493.86	74626.23	183329.45
O-succinylcarnitine	951.16	627.62	1409036.12	2021892.62	2360705.25	1932819.12	1339252.88	1580489.12	1605682.62	1970833	1223146.88	2390078.25	2627031.25	1307200.62	713508.75	3523645.75	2271353.25	2786824.75	1032224.69	1426608.5	792062.69	1002832.69	762055	621226.56	893704.56	3772757.75	379455.84	943143	487791.97	1917897	1273798.38	1745478.88	244228.45	656116.75	1488948.88	362559.75	208339.36	435620.75
Oxiracetam isomer	23407.05	5085.05	2210641.25	5464553.5	2803947	1890154.62	2573174.25	3675077	2473336.25	3667367	12780211	3724118	5375980	1418607.62	2107620.75	7812444.5	4536195.5	3449276.25	11447568	9768607	1535424.5	2652742.25	1732122	1497778.12	1361062.5	6311691.5	4347061.5	3088182.75	2295362.25	4265690.5	1780831	4959382.5	1295448	2533818.75	1644546.62	3886972.25	4018392.25	4145486.75
Palmitic amide	46602.92	5430.71	147088.61	191172.17	181950.42	126877.55	120526.29	64736.82	118115.91	212857.83	138289.17	161290.39	103374.79	144059.8	57549.87	79200.42	105077.54	114905.79	359610.91	224767.62	79760.12	88839.66	118537.81	42792.07	94226.48	100641.6	477788.09	333628.78	144277.33	288306.28	296506.19	515402.84	2433504	1994285.38	928703.94	1797184.88	582832.25	708903.06
palmitoleoylcarnitine C16:1 isomer 1	2459.66	6792.77	110111.57	120873.77	214600.75	338177.12	234156.73	87080.54	231875.64	219059.64	136039.3	233910.17	94696.1	366569.25	150254.11	307640.06	752572.81	194503.67	243844.05	72943.07	146986.98	96388.34	218737.33	121046.18	45703.79	88591.16	59243.39	74033.13	68777.95	545864	428382.41	390983.78	1121862.88	236874.56	1016339.69	56690.99	54704.5	65481.45
palmitoyl carnitine C16:0 isomer 1	6336.62	17632.02	142956.66	265840.53	417472.84	400518.5	262956.16	143622.34	244238.56	208198.5	140858.77	222477.88	66930.3	438033.59	1249111.5	4432726.5	11064532	1091033.75	598449.94	570344.94	390272.25	968828.81	909693	488398.59	440818.25	385587.72	288013.97	348724.59	573498.62	1156098.75	522320.12	818193.19	1373117.38	1339431.12	1020679.81	319190.91	314319.72	298273.56
Palmitoyl Serinol	3281.12	61028.22	207409.56	131255.27	84531.57	170682.77	151209.2	230863.31	168501.45	166580.05	283848.84	207774.62	161757.86	281524.88	463696.5	971805.5	2060892.88	1830054.5	5385227	2511007.25	119497.37	200909.7	340217.62	161222.27	232210.2	543226.94	425679.41	398226.41	509495.34	1352327.5	340515.59	1463604	493889.22	587078.31	244112.7	558698.69	274695.25	350210.5
Pargyline	454.95	252.38	73509.69	105508.65	34322.62	33635.15	57824.93	55059.58	39839.23	82851.53	89540.12	51636.08	101397.85	28847.58	26292.02	161168.06	20324.23	61362.93	144868.69	76504.88	26201.95	19408.13	23651.21	17274.56	17766.82	115056.4	16820.63	35158.28	52645.1	37526.55	24086.16	30486.22	9686.72	35495.29	60761.2	78047.98	42718.55	73816.21
PC(16:0/14:0)	0	0	0	3364.85	0	0	10728.24	0	1921.23	7025.67	0	7868.94	0	0	28135.67	21267.61	41128.96	45557.77	64697.13	75783.6	159970.7	109388.3	69078.48	154456.33	200040.75	250512.17	58924.87	105671.96	86560.23	152343.39	57245.75	102627.16	31724.19	24862.43	19332.66	188761.12	52066.03	73495.59
PC(16:0/15:0)	0	0	0	0	0	0	3200.2	0	0	0	0	0	0	0	4660.58	3497.86	16464	8304.62	17314.26	16609.56	56010.32	28048.48	16102.68	31684.24	30517.79	48385.7	8377.75	19785.21	22529.56	34941.36	14677.99	52258.62	5238.94	1778.84	4855.9	38481.81	11924.44	11354.06
PC(16:0/16:1)	0	0	7444.31	63164.62	24853.75	53281.22	74821.11	4872.39	25053.27	51707.45	5065.5	57797.32	0	7587.62	44590.81	86026.66	126889.3	78663.3	153064.44	105830.76	486726.59	190562.31	271337.53	236907	306942.12	673500	94004.4	172018.27	159101.14	221473.31	177832.98	352611.88	96146.74	126856.25	68209.91	255700.17	108353.88	98387.88
PC(16:0/22:6)	0	0	0	14373.31	0	3925.32	15739.51	0	0	15980.21	0	15352.67	0	6689.7	229145.75	238883.61	509329.25	367432	275606.97	241044.17	83736.66	44438.47	77745.28	30508.31	22886.27	137628.14	145839.27	277461.03	184547.56	224225.88	241828.83	683787.69	37002.6	72186.04	19333.32	39516.97	40069.67	8888.93
PC(18:0/18:2)	0	0	9570.51	116739.44	49317.06	105716.57	327837.62	15854.97	49246.85	172298.92	4392.08	173508.08	0	12807.42	570460.31	614243.31	1698488.38	544555.31	59241.59	0	1718138	308734.25	429703.84	325550.31	715613.5	1561068.38	206998.86	398538.97	548874.5	67748.45	409275.84	1579541.5	160267.88	413485.28	119239.44	243229.73	230495.52	76583.04
PC(18:1/18:2)	0	0	16639.15	426049.47	107565.34	191858.88	420524.5	31105.8	78056.86	392104.88	8848.53	385116.12	0	11111.88	150975.19	816134.69	631470.25	456317.84	371873.22	499480.41	823121.19	204865.89	348272.72	305737.28	75352.45	1496106.88	276129.16	311066.31	374909.72	349287.09	489966.28	963701	122465.79	327269.12	91105.66	220177.25	177343.38	73601.96
PC(18:2/15:0)	0	0	0	53598.44	8636.68	21779.67	57935.16	5031.14	10681.04	31369.39	0	22971.76	0	7751.77	246248.95	384474.41	87890.01	114459.5	97272.7	197819.05	309430.88	589528.44	450843.66	54461.95	108477.28	209099.23	292715.44	217021.83	298495.62	201044.98	338543.16	369957.66	212174.58	101619.62	86486.97	237790.95	97117.22	34478.19
PC(18:2/16:0)	0	0	65055.84	536291.69	360153	578589.06	860476.69	71417.09	224621.2	785784	34404.63	796128.94	2445.05	79571.85	235647.89	778300	1119900	640840.31	949131.69	565881.81	4702422.5	870294.56	1265291.88	1046853.81	646054.75	3909356	403451.16	662611.88	1339399.62	653505.75	681000.31	1586912.5	470626	1312718.38	725389.06	1169011.62	1023989.81	551577.19
PC(20:4/18:0)	0	0	0	6312.63	0	5298.61	13255.73	0	0	6879.81	2019.62	6323.45	0	0	335677	1143159.75	749117	807906.5	692135.44	547478.31	433990.16	224626.19	294712.53	114155.16	20721.35	690350.06	486933.75	688105.06	1150130.12	725628.69	923642.44	1696543.88	85777.72	128301.48	30486.41	68093.4	75761.93	17649.83
PC(28:0)	0	0	113587.5	751550.31	144294.88	196476.39	1153055.62	362299.47	203056.92	464399.25	160603.89	429588.66	15136.03	308989.09	1373306.62	1851963.62	505203.62	1224828.12	1107003.12	1566417	648311.81	1686023	876936	284435.88	840797.5	1066672.38	6942352	4522814.5	3484420.75	3477628	3837963	2207999	6968865.5	4956530.5	3797717	7095284.5	6388186.5	2828977
PC(30:1)	0	0	7955.77	268170.28	12022.97	13348.65	120087.62	32329.93	31724.12	53909.18	11607.59	56149.89	2344.27	41812.42	131005.94	401117.66	67324.34	238688.02	178313.12	180570.75	29297.63	243298.02	65012.88	13800.61	12150.31	199451.06	443787.5	288627.03	292439.34	240436.17	289045.59	189185.44	522279.16	348928.78	115914.55	353606.75	117750.73	91885.02
PE(16:0/18:2)	0	0	5601.28	479415.25	60797.49	34129.44	180690.56	45614.38	26537.81	60709.22	11116.78	56562.19	0	141095.86	482041.53	1228630.88	186198.5	610298.94	254607.64	550263.81	161502.72	371455.88	215403.75	13991.63	112087.69	181722.5	808814.06	372224	902152.44	489866.84	461422.34	84345.21	893962.44	309073.62	199256.88	636718.19	442586.16	187778.42
PE(16:0/22:6)	0	0	2229.39	0	8149.69	0	0	0	0	1784.46	0	0	0	0	75439.34	0	37656.5	0	0	16830.79	26284.31	116837.15	87278.16	5212.92	27851.3	67927.97	145767.56	158270.7	102543.84	96052.48	156849.92	36925.75	85853.96	76563.75	48665.43	274095.12	34617.04	6777.52
PE(17:1/18:2)	0	0	0	17911.5	3431.39	0	16729.22	0	0	4434.73	0	5728.75	0	13736.19	18030.72	37517.23	3327.6	35960.7	0	89879.5	11231.93	60487.33	49235.16	3768.05	10238.33	94488.55	325520.25	325809.75	153191.06	14627.62	77038.04	50672.98	1809624.88	619666.19	22117.05	234221.12	89255.88	147299.69
PE(18:1/16:0)	0	0	3485.56	129351.98	13032.04	8513.12	57555.19	12989.91	14099.37	35266.67	9730.22	22728.39	1541.89	19759.76	206249.86	417810.41	184629.45	223414.2	96343.2	264319.69	116533.68	469746.88	207706.48	42831.1	75233.18	146984.7	241084.3	151455.66	190238.2	236642.2	297875.47	230179.7	210825.94	99616.06	90266.38	162515.39	57851.92	30118.91
PE(20:4/16:0)	0	0	0	256107.38	101311.26	14334.54	32350.98	6094.95	2249.34	7483.74	0	13203.72	0	85034.38	789295.69	1093076.38	301838.53	607154.75	109308.24	808578.56	122382.5	604809	293344.84	9683.93	149428.19	222828.25	1192265	983018.69	1160193	699096.81	735237.69	451166.75	654071.69	623547.44	350925	1725222.38	615231.25	266360.06
PE(20:4/18:0)	0	0	0	4371.68	7368.25	0	8685.69	0	0	3455.02	2686.48	0	0	8028.19	341487.16	271191.28	120796	156628.81	70094.63	142132.08	237255.48	1068136.75	811428.44	33563.27	168969.41	405819.78	464913.12	415020.25	800147.56	503122.75	651444.31	600643.25	315584.72	96295.25	89050.16	340287.69	94812.54	28535.43
PE(20:4/19:0)	0	0	30464.97	562127.31	165749.73	241619.81	462318.34	47448.1	105569.44	489672.34	14070.96	488969.59	2325.68	19453.89	940435	2235329.5	1916440	1772991.62	1610677.12	1424663.5	1314128.75	334004.91	590046	414009.53	128630.71	2269462.75	1007952.94	1432901.38	2005216.62	1498136.62	1884596.62	3366203.25	333273.97	532005.88	221892.83	347828.69	433380.84	148651.89
PE(P-16:0/20:4)	0	0	0	25637.47	30152.89	12722.39	8629.2	0	2675.79	3475.03	1831.87	4168.39	0	59171.98	640145.06	785162.31	150252.8	472324.09	360615.97	284395.09	636495.19	1549540	1593578.5	134522.08	454056.25	1007841.5	1234832	1066953.38	1822070	1016071.81	1763638.62	1237132.38	782478.19	418191.97	378563.41	860268.06	236725.8	163829.17
PE(P-16:0/22:6)	0	0	0	0	16881.43	8682.58	0	0	0	0	0	0	0	17691.85	237391.55	275941.44	55998.39	100736.75	25993.63	91448.8	122883.25	372170.22	484050.41	27731.62	161466.33	220218.12	454256.16	570137.31	396893.41	322822	579367.06	170734.48	232481.2	109960.88	79767.25	188538	47791.75	24145.89
PE(P-18:0/20:4)	0	1829.76	0	6932.94	12692.25	0	4992.83	0	0	0	0	0	0	0	244886.06	281308.62	52567.41	232668.45	140916.48	134494.56	275616.78	1077612.12	1058196.38	42446.5	228564.55	463357.25	774625.44	716264.25	1175333.75	564444.44	1146227.12	581081.75	595133.19	302504.41	293549.78	401280.47	172603.25	75090.64
PE(P-18:1/20:4)	0	0	0	10567.23	33151.33	7819.71	3340.39	0	0	0	0	1453.81	0	25672.3	430301.34	333558.06	101185.27	490817.78	154008.08	213189.45	276881.84	1081672.25	1087036.12	65939.81	310932.81	596848.44	803704.69	736831	1334293.12	735687.19	801251.81	788935.5	532243.25	254230.31	175203.7	468850.25	130525.94	74559.26
PE(P-18:1/22:6)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	81243.75	56454.33	0	79709.89	0	51586.31	39604.77	135801.98	132481.95	0	46491.02	64098.54	98133.68	130249.43	122343.54	125913.63	152734.75	48387.51	49948.33	21562.16	25457.08	60487.29	5633.34	0
PE(P-19:1/18:0)	0	0	0	5651.71	16826.55	40074	60202.13	1999.17	14118.65	27926.46	0	38211.38	0	0	16052	65564.18	135723.23	85827.07	156418.55	71108.84	294458.03	109882.49	173491.95	126916.62	79331.04	459271.28	102319.04	101662.91	197872.45	123496.7	97026.96	405856.78	85144.13	104885.56	52715.23	89427.82	56757.81	33701.27
PE(P-35:0)	0	0	0	6149.03	0	4506.13	12361.88	0	0	3655.82	0	0	0	0	5718.61	9937.21	12359.66	10693.13	34070.75	16325.28	100313.15	42435.77	50708.11	50949.92	29272.29	94124.91	18947.95	27587.48	27734.44	46821.35	14948.5	66197.41	5681.11	2127.31	2644.73	41346.44	2472.99	8967.48
pemoline isomer	1558.05	648.6	44833.41	53133.45	24883.63	43031.87	47155.88	68797.99	48359.48	29948.78	58651.67	11206.57	31527.35	8873.94	39476.73	16046.89	58173.69	32924.37	93426.84	10102.53	47783	153328.11	86815.5	154167.86	104061.15	123387.02	13336.16	45226.16	44272.3	31473.01	25543.45	20917.13	40541.49	30009.31	22695.42	45853.83	37533.23	23132.72
PG (34:1)	0	0	0	0	0	0	2423.67	0	0	0	0	0	0	14198.93	129179.43	44900.45	62258.11	54069.98	0	93194.9	51211.11	182419.25	229181.56	9596.17	69207.77	124622.69	202546.8	235998.75	186092.75	188262.02	238994.48	198693.52	76062.68	58876.28	35567.2	90884.19	20834.88	15332.44
PG(16:0/18:0)	0	0	1653.28	0	11183.15	6361.83	0	0	2254.15	1744.29	0	0	2091.82	25209.19	230304.81	270025.84	62891.86	27853.52	67857.73	147425.45	121181.55	505690.75	524824.5	28007.18	126941	313413.78	359182.38	466558.09	615556.81	382399.28	578814.19	457252.59	232745.95	106418.85	85680.8	248282.3	52651.12	30829.37
Phenylalanine isomer	2505.39	1859.13	1121073.5	1030529	687044.31	946876.56	502103.09	950778	512938	647441.94	760185.81	575774.56	1499905.38	492800	7689.23	80363.66	39642.52	54041.73	105172.07	105957.88	18917.83	17110.7	36872.12	9879.92	8121.41	105896.07	40365.32	59829.86	28352.84	37937.29	17196.73	87932.41	18781.85	38962.18	87779.4	107971.31	17260.08	71039.02
Phosphorylcholine	316.48	0	26312.24	7652.49	12954.66	85740.7	19811.86	7572.3	30134.34	61620.05	31320.64	41186.1	18681.44	25262.27	4050.32	32291.7	45683.17	29592.64	16082.27	13367.63	13523.83	2772.29	6059.7	7431.3	4090.45	18704.55	32505.15	57068.14	24066.19	43069.36	73935.74	108907.24	107048.02	83528.81	203527.42	258255.75	168877.05	327599.12
pirbuterol isomer	5441.6	3101.14	624366.31	640414.25	400694.38	1880527.62	486369.25	349794.5	293401.91	2560118.75	504913.53	584145.31	429008.53	257912.67	10126097	172312.73	4972754	26388594	575852.81	369572.47	920616.5	152093.19	559532.5	2284400.25	39938.01	958226.06	39528.39	24316.28	223069.58	548482.44	32877.01	225711.88	1229702.88	360171.16	594919.19	16446301	3645293	7616834
Pivaloylacetonitrile isomer	1804.35	1883.02	223726.77	328881.03	267976.09	158459.97	200965.39	357032.88	210211.64	110203.94	413620.25	206087.08	77332.28	39518.42	13745.22	31636.12	18404.1	35830.89	47303.54	32091.19	6498.3	30976.79	5714.33	14594.5	11274	20213.21	32516.38	17317.92	19589.67	17000.54	30851.9	77995.85	27440.7	35888.18	59160.59	63236.56	26047.82	49019.27
Pro-Ile	1940.23	611.76	4749765	2244756.25	2977883.25	20458186	4135742.75	1563830.38	997951.19	12905473	1817388	2165718	1093701.62	1447594.62	27025770	457316.72	8980823	54685552	1613762.12	542712.62	3615486	1098648.75	1515410.62	20080530	318306.97	17543864	77659.22	137696.11	341620.09	752077.5	106561.79	310059.91	1149345.25	487187.34	740714.56	31515622	8894209	13885840
Pro-Leu	2033.58	1306.13	2112510	1252542.12	2025341.12	8757731	2761438.75	878270.69	743479.56	6021597.5	1084863.88	1362924.38	724610.44	885703.94	22163758	1340274.5	6528426.5	44376724	1923389.38	889592.69	3479124.25	1350213.88	1317787.62	13231609	443026.88	11186588	143284.08	192512.39	454115.25	929915.69	169958.64	302294.22	1023086.19	506054.28	895369.75	18704240	6094692	9302856
proline betaine	2688.89	1443.63	5119638	3542887	10904264	3853757.25	3099032	2936982.25	2309697.25	87143160	1777623.88	19782152	3792236	1802444	795799.31	4525324.5	4680260.5	1887472	1676378.12	1304019.88	3258670.75	6662764.5	3482681.75	2808753.75	2764015.75	13705973	820137.94	7195422	6681342	5411409.5	1798310.88	2242037.25	534118.19	2815166	4766891.5	1810062.38	1539706.38	2436268.75
propenoyl carnitine isomer 1	2799.86	757.37	742634.5	922790.5	1335046.88	803212.19	406405.16	746251.19	459322.78	558031.25	955145	533351.38	496976.16	255628.38	1566.12	31605.55	12132.63	9691.18	17074.08	31471.29	0	2722.92	2099.74	3502.28	2380.01	7564.3	5057.48	6418.14	2751.3	0	12984.76	10376.03	12641.34	7726.3	10695.42	14607.43	2426.27	25679.17
Propionyl-L-carnitine isomer 2	2270.35	1052.96	2495206.75	2815166.25	3206335.25	2559795.25	2481443.75	3331421	2894715.25	1146612.62	3067516	2586899	573843.5	397627.78	108406.93	359718.72	505375.25	264487.91	640668.75	352859.62	81795.06	142344.48	125370.38	164616.52	202433.2	467057.66	500145.25	240285.45	157412.33	193914.39	192773.3	469174.66	133057.17	118096.16	254936.86	188769.58	77159.59	156710.38
Pro-Thr	1163.3	499.95	174729.36	130884.62	149870.44	174452.38	75386.19	136248.59	77696.3	128762.23	140971.88	82451.38	159040.3	81483.53	37444.89	116332.06	91051.16	71403.45	173238.11	117653.12	50213.61	50689.33	65100.25	57345.11	56292.47	60201.72	72474.07	76985.93	59536.74	57029.89	60156.48	96555.27	72508.55	47681.7	97794.73	63937.04	52431.8	40880.4
Pro-Val	3434.15	2627.29	2871873	3390599.25	3207894	2398994.25	2313014.75	2981504	2575707.75	1750815.88	3379430.25	2334063.75	1258848.88	723120.25	1152339.12	6618998.5	4551710.5	4330748.5	5251225.5	4141422.75	622723.31	3008684.25	749836.19	681249.81	1807448.88	3798253.25	807020.94	1289778.62	1767718.5	1723614.38	1447731.12	1301897.12	671978.31	1618707.38	3418708.75	2185552.25	858238.69	2835649.25
Pyroglutamine	9385.05	2935.06	412853.12	848229.69	448026.53	251894.11	480332.72	702670.5	367536.66	1743027.62	679850	681383.75	790707.19	194266.39	100904.62	596681.5	401699.72	472545.09	987949.56	588935.75	452459.53	2965134.75	803123.69	366871.22	916071.94	1672093.88	282505.28	389147	414262.03	544311.44	308521.72	358012.38	79834.18	354797.22	744408.69	667180.5	323401.75	1012214
Retinaldehyde isomer	22020.84	51247.4	1158237.62	784035	1362494.88	1652663	697681.94	630936.62	1018099.31	1258917.62	492592.59	1322081.88	635858.44	967363.69	143901.75	160715.14	279372.59	173774.92	278368.69	280547.88	438061.09	125076.66	175299.23	97763.38	168761.89	158650.36	174937.83	155784.45	166371.17	155649.28	163934.2	283244	195072.2	152465.17	271352.78	232238.3	142393.05	306128.38
Retinoic Acid	42073.43	76748.62	937549.31	615278.44	897249	1213849.5	785170.06	786041.75	764621.19	1366669.62	639472	1037344.56	635141.12	839321.44	433643.22	438198.5	991675.75	726338.69	775036.5	683416.19	3743552	751952.06	659695.25	327730.56	655050.69	522149	612747.94	584783.19	756887.31	509118.72	756912.75	1149006.12	713786.19	415879.03	556204.56	663749.56	606942.38	599132.69
riboflavin	0	0	141493.81	219498.05	120396.25	138969.05	59624.6	200770.05	120680.07	582602.31	326290.09	97549.28	312851.41	60518.05	88071.09	167766.3	176749.12	184576.95	1199282.62	389574.16	88949.69	56185.88	85545.27	25509.36	89728.73	225470.12	295840.62	134055.59	132522.16	95949.8	78081.59	316107.41	254191.81	161252.62	151647.17	212441.62	62364.48	140367.33
Saccharopine	613.51	311.88	445075.22	546954.88	401706.28	455488.47	297964.25	475408.34	329438.69	361177.12	445772.03	337611.78	776859.25	315096.16	11590.4	186993.5	60099.27	76030.59	151905.14	153794.19	39167.49	55327.35	52433.83	20867.31	25826.98	177525.5	103942.22	70647.38	71610.34	56690.86	55363.71	82544.4	32487.34	42080.89	95636.65	113262.75	51219.06	82261.75
Saringosterol isomer	2860.5	12371.34	315910656	226819632	118779480	205303104	171333296	181610064	190528128	164135760	187846848	193012432	235699280	266599312	67520472	125500744	100246552	143116528	108614144	92673184	61682192	50852892	78052704	46044148	74645424	70699120	74545336	86792272	75324808	70108920	57001428	118367072	65833824	64878060	69990424	103110400	49927052	71486280
Ser-Leu isomer	2254.33	662.33	371875.38	476812.75	327802.88	483182.38	416842.59	729018.75	370103	401081.12	1069738.62	402251.5	405586.84	204387.58	1229928	9287408	5284397.5	628201.75	8485960	12340048	495153.16	918222.56	216617.55	842509.56	446316.12	863322.94	313011.38	976403.5	538645.69	824568.69	616256.88	805778	807798.25	477031.88	3425254.75	562299	282034.81	723334
SM(d18:1/14:0)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10077.93	24978.27	6430.21	0	28394.06	63189.48	34292.19	30775.62	10024.46	40828.38	15096.47	24224.35	17468.6	30245.11	15930.26	9221.2	1284.35	6070.23	13349.86	7452.31	7521.06	19856.45	7778.78
SM(d18:1/16:0)	0	0	8555.33	0	5888.63	6691.95	18830.55	0	17247.51	0	0	13992.72	0	8668.54	72910.99	65921.72	108512.34	71570.53	43473.11	105513.5	244353.36	280011.53	154158.67	86134.93	119238.02	74270.61	113195.28	108929.66	127691.65	77973.32	117335.99	49623.49	52814.08	49372.17	61195.97	35829.23	95273.31	57994.64
Sphinganine	0	1228.6	2911132.25	2590896.75	2072573.62	2138455.75	2766342.25	1963394.88	3053647.25	2929503.25	2175391	1926395	2616565.75	4995636.5	30849576	60281680	57456896	59516028	104466176	76690312	3706318	8835736	8407601	3269239.25	7817646.5	7923194.5	17760888	22177688	11633224	19938240	27896682	35087944	13088213	10558655	6044209.5	28043754	13481499	15680748
Sphingosine	40031.2	17756.26	32467982	26170062	18818944	22407242	24067862	29218358	41731220	21581974	30200304	25890904	19963410	64660036	694364480	1390281600	1515226752	1247618816	2157041408	1480678400	75429888	141580080	204556080	45229004	144469504	111819640	599054272	450956800	282918304	371997472	710503936	911951168	173320656	96353640	92955208	147760400	82952648	77932840
sphingosine(d20:1)	62890.62	22689.97	1847341.5	1275277.62	635279.75	1301015.62	2062914.88	1606047.62	2560619.25	763968.75	818833.5	829827.19	1285639.25	6040102.5	24744118	46729580	74057824	37724428	52770828	47405868	11645761	9202155	21431854	6836462	27494048	4348344.5	29556474	28771862	12098375	20359998	41882912	38002044	19735770	10914787	7789321.5	7391803.5	7522238	5848566
Stearamide	38946.09	87119.3	5349416	3641542	3005582.75	4645367.5	9175710	4176971	4638948.5	6480190.5	3150883.25	4169629.25	4531782.5	4693203.5	1011832.81	1557380.5	1286790	1171866.12	1582764	2755842	980954.69	1900370.62	1376993	461259.84	1357869.88	1046058.94	17371184	10965254	6528314	4770987.5	5622768	5886490.5	33389986	29985712	13840372	20601120	9764207	11218671
stearoylcarnitine isomer	9919.63	20309.9	100572.56	150120.38	152570.58	204896	236398.83	105772.66	163062.19	131842.64	96150.62	120913.41	72126.73	250290.86	992160.44	2008122.62	4407564	672428.62	549286.62	736675.31	429210.97	571461.25	655885.69	381209.34	507752.75	581004.19	183888.02	337977.06	413698.88	749098.56	646878.56	667724.38	710751.81	688995.62	618274	222185.11	166329.98	232287.86
Taurocyamine	0	0	429954.75	496819.97	283754.66	229033.06	168215.2	228050.55	150857.81	480896	139343.08	315491.84	233845.8	55566.89	33746.97	217421.64	110836.43	96937.09	95375.31	132600.12	269099.56	235280.81	151948.11	153268.95	106719.34	979469.75	159991.42	186033.7	399244.91	206910.58	51220.89	168616.14	28909.78	189445.73	165512.86	256524.42	218254	513058.25
tetradecadienoylcarnitine isomer 2	5282.32	2100.05	151498.08	259758.86	540782.94	456062.41	158000.86	92721.51	307392	406012.12	268288.06	394299.09	105689.09	1051328.5	25636.31	143033.03	126567.66	138870.8	80659.23	43664.1	54484.71	27287.13	100971.94	61238.04	22163.54	63686.08	19233.88	34691.27	57142.33	313758.28	449120.91	423523.78	909481.31	147648.81	793341.31	18340.6	7385.9	30558.27
thymine	614.74	1286.73	183791.86	1466056.5	618979.75	72083.09	366995.91	264245.59	217692.92	1355305.5	929178	639718.56	321391.53	98825.5	620515	1327622.88	671355.38	682103.5	1263259.12	1017203.81	281639.22	526476	140406.06	160096.94	178150.92	1168772.12	475047.53	542188.44	678079.06	880277	295078.62	539154.19	310452.09	603518.69	635541.81	864024.5	455539.5	703279.5
Tiglylcarnitine	5181.02	8025.29	459508.75	348886.78	334150.03	485017.72	350270.28	383529.38	293402.16	301941.94	374167.59	323417.31	369826.75	244736.81	26184.24	34392.63	27689.96	30767.33	54493.82	38001.88	30753.23	21756.88	27951.45	16167.83	31734.35	52955.91	19425.09	15458.66	25671.87	21692.13	29548.06	11749.27	24939.17	19804.12	42304.79	25932.9	19167.18	29495.74
trans-Dehydroandrosterone isomer	74890.82	156739.05	791903.5	575759	615675.94	638396.69	570665.69	619349.06	706470.69	731359.5	554232.94	643003.69	651912.69	673786.81	431634.09	479583.91	484665.25	651136.75	535288.25	563330.06	461719.41	556122.94	558105.75	375346.16	583209.81	582145.31	674101.69	693099.25	608353	520267.09	488859.59	577638.19	519581.75	413111.25	457157.22	533273.94	502824.47	516694.25
Tridecanoyl carnitine	4575.45	2470.24	148982.5	127305.01	268019.25	198231.81	133152.39	105368.41	158806.98	226554.94	163681.94	152997.86	85776.09	399788.5	35053.66	89806.03	107122.47	103692.98	94463.45	70348.19	55748.36	51191.67	83782.12	30398.38	45367.91	50304.98	39282.62	48920.11	49908.47	169965.17	182430.27	208184.73	310544.59	95922.31	316170.97	43538	37069.22	48817.35
Triethanolamine	782.25	9381.52	844395.31	65919.02	54550.74	59875.77	47054.4	36498.18	38687.58	78688.75	77785.8	75444.23	53739.52	195948.92	15416.32	25842.15	35471.86	279171.41	50927.69	146172.61	26829.27	263268.66	54812.37	20825.57	24066.06	66385.95	27593.94	19648.9	34451.04	24320.92	40737.23	85436.18	42516.08	1108527.12	281893.53	34920.98	138614.42	86436.26
Trimethyllysine	497.96	483.2	5707156	4199963	4289905.5	3416925.75	1630743	3503811	1792954.12	3456108.75	3965769.75	2584486	4054018.75	2342636	344014.91	2197385	817203.31	622860.44	877804	1451677	294766.5	233351.55	390840.16	149098.52	463576.03	390905.53	1240381.62	823478.94	888479	310703.28	502381.12	269123.25	806861.06	1505238.62	1972437.38	1568093.38	1692756.38	1995737.12
VaL-Tyr	1017.56	347.33	1391732.12	1883697.5	1891465.12	1566754.62	1369530.5	2238333.25	1591585.62	763633.19	2016210.62	1545653	454106.59	331498.47	12929.23	96190.59	57287.12	54580.76	100530.02	77792.2	20054.36	17887.29	19845.82	10995.42	22162.31	82141.48	32863.15	27354.62	24538.96	18025.32	14430.05	26864.79	18741.91	25079.8	37696.69	58394.29	20362.19	44227.64
Val-Val isomer	1537.58	233.02	415496.53	600863.31	573598.94	1587924.62	229483.25	625114.38	240391.83	2482823.5	688064.31	479690.41	1797706.5	860159.44	334239.47	983977.69	1685437.38	189736.95	1529534	1601452	1162787.12	1244819.88	1451834.38	1946614.5	2758004.75	4750507.5	2660381	3195511.75	936461	1024137.06	999430	1235477.62	1742450	1526561.12	1879907.12	2571086.75	846518.69	2221204.25
Xanthurenic acid	1082.6	0	374029.97	101484.38	333303.5	750968.69	115394.28	146100.98	102007.01	464310.66	176972.2	264734.94	3040760	444117.25	5321.06	178251.05	169699.06	173020.2	751352.19	154809.34	50573.97	163277.14	57320.5	186104.55	186954.89	531847.69	145938.2	188455.83	63252.99	114275.62	47954.26	53762.14	18580.39	52674.81	16461.21	43262.03	28283.69	39961.52
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
(2E)-7-carboxyhept-2-enoylcarnitine
13-epi-12-oxo Phytodienoic Acid
13-OxoODE isomer 2
15beta-Hydroxydesogestrel isomer
15-deoxy-delta-12-14-PGJ2
17-phenyl-trinor-PGE2 isomer
1-hydroxy-2-acetamidofluorene isomer
1-Methyladenosine
1-Methylguanine
2-Aminooctanoic acid
2-Phenylbutyric acid
3-Acetylacetanilide isomer
3-Hydroxyhexadecanoylcarnitine
3-hydroxyoctadecanoylcarnitine
3-hydroxyoleoylcarnitine
3-hydroxypalmitoleoylcarnitine
3-hydroxytetradecanoylcarnitine
3-ketosphingosine isomer
3-Methoxytyramine
4_8 Dimethylnonanoyl carnitine
4-Guanidinobutanoic acid
4-Hydroxyisoleucine isomer 1
4-Hydroxyisoleucine isomer 2
4-Phenoxypyrimidine isomer
5-(Benzyloxy)-2-sulfanylphenol isomer
5-Methylcytidine
5-Methylcytosine
6beta-Hydroxytestosterone isomer
6-Keto-decanoylcarnitine
7-dehydrocholesterol
7-ketocholesterol
8-Amino-7-oxononanoic acid
Acetyl-DL-Valine isomer
adenosine
ADP-ribose
alpha-curcumene
alpha-Linolenoyl Ethanolamide
Amyrone isomer
Androstenedione
Anserine
arachidoyl carnitine C20:0
Arborinine isomer
Arg Ala
Benzyl butyl phthalate
Butyryl-L-carnitine
C19:4
C20:7
C21:5
C21:6
Calcitriol
Canrenone
CDP-choline
ceramide(d18:1/16:0)
ceramide(d18:1/18:0)
ceramide-dihydro (d18:0/16:0)
citrulline
CMP
Coscinalactone isomer
creatine
Creatinine
cytosine
DAG(34:3)
DAG(34:4)
DAG(36:4)
DAG(36:5)
DAG(38:5)
decadienoylcarnitine
Decanoyl-L-carnitine
decenoylcarnitine
Diaminopimelic acid
Dihydroceramide C2
Dimethylglycine
DL-Pipecolic acid
dodecanoylcarnitine
dodecenoylcarnitine
Dulcin
ethyl serine isomer
Formimino-L-glutamic acid
Formylglutathione
Gabaculine
Galaxolide isomer
gamma-Butyrobetaine
Glaucasterol isomer
Gln-Ala
Gln-Glu
Glu-Ala
Glutarylcarnitine
Glycerophosphocholine
glycolithocholic acid
Glycyl-L-tyrosine
Glycylproline
Heptadecanoyl carnitine
Heptaethylene glycol isomer
Heptyl p-hydroxybenzoate
hexadecadienoyl carnitine C16:2 isomer 2
Hexaethylene glycol
hexanoyl carnitine
hippuric acid isomer
histidine
Homocitrulline
Homomethionine isomer
Homostachydrine
Hydroxyaspergillic acid isomer
hypoxanthine
Imidazoleacetic acid
Indole-3-acetaldoxime N-oxide
Indole-3-acetamide
Isobutyryl carnitine
kynurenine
Lactose
L-Aspartyl-L-phenylalanine
L-Carnitine
Leu-Ala
Leu-Leu
Leu-Thr isomer
Leu-Val
Linderanolide isomer
linolenylcarnitine
Linoleoyl carnitine C18:2
linoleoyl carnitine C18:2 isomer
L-Pipecolic acid
Lyso-PAF C-18
LysoPC(14:0)
LysoPC(16:0)
LysoPC(18:0)
LysoPC(18:1)
LysoPC(20:0)
LysoPC(20:1)
LysoPC(20:2)
LysoPC(20:3)
LysoPC(20:4)
LysoPC(20:5)
LysoPC(22:0)
LysoPC(22:1)
LysoPC(22:6) isomer 2
LysoPC(24:0)
LysoPC(P-16:0)
LysoPC(P-18:0)
LysoPC(P-18:1)
LysoPE(18:1)
LysoPE(18:2)
LysoPE(20:0)
LysoPE(22:1)
LysoPE(22:6)
LysoPE(24:0)
LysoPE(P-16:0)
Malonylcarnitine
Messagenin isomer
Metalaxyl isomer
methacholine
Methionine sulfoxide
Methylimidazoleacetic acid
Metronidazole isomer
Militarinone A
Myristoylcarnitine C14:0 isomer 1
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-acetyl-ornithine
NAD
N-Alpha-acetyllysine
Neocnidilide isomer
n-ethyl-d-serine isomer
Netilmicin isomer
nicotinamide
NN-dimethylarginine
N-N-N-Trimethyl-Histidine
N-Oleoyl Glycine isomer
N-Palmitoyl tyrosine
O-(hydroxytetradecadienoyl)-L-carnitine
O-adipoyl-L-carnitine
Octanoylcarnitine
Oleamide
Oleoyl Ethanolamide
Oleoyl Ethyl Amide isomer
Oleoylcarnitine
Oleoylcarnitine isomer 1
ornithine
O-succinylcarnitine
Oxiracetam isomer
Palmitic amide
palmitoleoylcarnitine C16:1 isomer 1
palmitoyl carnitine C16:0 isomer 1
Palmitoyl Serinol
Pargyline
PC(16:0/14:0)
PC(16:0/15:0)
PC(16:0/16:1)
PC(16:0/22:6)
PC(18:0/18:2)
PC(18:1/18:2)
PC(18:2/15:0)
PC(18:2/16:0)
PC(20:4/18:0)
PC(28:0)
PC(30:1)
PE(16:0/18:2)
PE(16:0/22:6)
PE(17:1/18:2)
PE(18:1/16:0)
PE(20:4/16:0)
PE(20:4/18:0)
PE(20:4/19:0)
PE(P-16:0/20:4)
PE(P-16:0/22:6)
PE(P-18:0/20:4)
PE(P-18:1/20:4)
PE(P-18:1/22:6)
PE(P-19:1/18:0)
PE(P-35:0)
pemoline isomer
PG (34:1)
PG(16:0/18:0)
Phenylalanine isomer
Phosphorylcholine
pirbuterol isomer
Pivaloylacetonitrile isomer
Pro-Ile
Pro-Leu
proline betaine
propenoyl carnitine isomer 1
Propionyl-L-carnitine isomer 2
Pro-Thr
Pro-Val
Pyroglutamine
Retinaldehyde isomer
Retinoic Acid
riboflavin
Saccharopine
Saringosterol isomer
Ser-Leu isomer
SM(d18:1/14:0)
SM(d18:1/16:0)
Sphinganine
Sphingosine
sphingosine(d20:1)
Stearamide
stearoylcarnitine isomer
Taurocyamine
tetradecadienoylcarnitine isomer 2
thymine
Tiglylcarnitine
trans-Dehydroandrosterone isomer
Tridecanoyl carnitine
Triethanolamine
Trimethyllysine
VaL-Tyr
Val-Val isomer
Xanthurenic acid
METABOLITES_END
#END