#METABOLOMICS WORKBENCH stephensondj_20230911_122824 DATATRACK_ID:4302 STUDY_ID:ST002858 ANALYSIS_ID:AN004688 PROJECT_ID:PR001789
VERSION             	1
CREATED_ON             	September 13, 2023, 3:17 pm
#PROJECT
PR:PROJECT_TITLE                 	Intracerebroventricular Transplantation of Foetal Allogeneic Neural Stem Cells
PR:PROJECT_TITLE                 	in Patients with Secondary Progressive Multiple Sclerosis (hNSC-SPMS): a phase I
PR:PROJECT_TITLE                 	dose-escalation clinical trial
PR:PROJECT_SUMMARY               	SUMMARY This is an open-label, first-in-human, dose-escalation phase I study
PR:PROJECT_SUMMARY               	(NCT03282760, EudraCT2015‐004855‐37) to determine the feasibility, safety,
PR:PROJECT_SUMMARY               	and tolerability of the transplantation of allogeneic human neural
PR:PROJECT_SUMMARY               	stem/progenitor cells (hNSCs) for the treatment of progressive multiple
PR:PROJECT_SUMMARY               	sclerosis. We report the analysis of 1 year of data from the first cohort of 15
PR:PROJECT_SUMMARY               	patients from two trial sites that received increasing numbers of allogeneic
PR:PROJECT_SUMMARY               	hNSCs delivered via intracerebroventricular injection in combination with an
PR:PROJECT_SUMMARY               	immunosuppressive regimen. No treatment-related deaths nor serious adverse
PR:PROJECT_SUMMARY               	events (AEs) were observed over the 12-month follow-up. Participants displayed
PR:PROJECT_SUMMARY               	stability of clinical and laboratory parameters, as well as lesion load and
PR:PROJECT_SUMMARY               	activity at the brain MRIs, compared to study entry. Longitudinal metabolomics
PR:PROJECT_SUMMARY               	and lipidomics analyses of cerebrospinal fluid and serum from these patients
PR:PROJECT_SUMMARY               	identified time and dose-dependent responses, with increased levels of free
PR:PROJECT_SUMMARY               	fatty acids and acylcarnitines in the CSF, especially at the highest dose of
PR:PROJECT_SUMMARY               	injected hNSCs at the one-year follow-up time point. Finally, a significant
PR:PROJECT_SUMMARY               	inverse correlation was found between the highest dose of injected hNSCs and the
PR:PROJECT_SUMMARY               	smaller parenchymal brain volume change (PBVC; Spearman’s rho= -0.7, p= 0.03),
PR:PROJECT_SUMMARY               	clinical covariates that correlated with CSF levels of free fatty acids,
PR:PROJECT_SUMMARY               	acyl-carnitines, oxylipins, conjugated bile acids and purine breakdown and
PR:PROJECT_SUMMARY               	deamination products, such as hypoxanthine. The absence of AEs and the stability
PR:PROJECT_SUMMARY               	of functional and structural outcomes is reassuring in terms of risks and
PR:PROJECT_SUMMARY               	represent a main milestone to rigorously address the challenges for the safe
PR:PROJECT_SUMMARY               	translation of key principles of stem cell biology into effective regenerative
PR:PROJECT_SUMMARY               	medicines.
PR:INSTITUTE                     	University of Colorado Anschutz Medical Campus
PR:DEPARTMENT                    	Department of Biochemistry and Molecular Genetics
PR:LAST_NAME                     	Stephenson
PR:FIRST_NAME                    	Daniel
PR:ADDRESS                       	Research 1 South L18-1303 12801 E. 17th Ave., Aurora, Colorado, 80045, USA
PR:EMAIL                         	daniel.stephenson@cuanschutz.edu
PR:PHONE                         	303-724-3339
#STUDY
ST:STUDY_TITLE                   	Intracerebroventricular Transplantation of Foetal Allogeneic Neural Stem Cells
ST:STUDY_TITLE                   	in Patients with Secondary Progressive Multiple Sclerosis (hNSC-SPMS): a phase I
ST:STUDY_TITLE                   	dose-escalation clinical trial - Metabolomics Analysis of Human Serum
ST:STUDY_SUMMARY                 	This is an open-label, first-in-human, dose-escalation phase I study
ST:STUDY_SUMMARY                 	(NCT03282760, EudraCT2015‐004855‐37) to determine the feasibility, safety,
ST:STUDY_SUMMARY                 	and tolerability of the transplantation of allogeneic human neural
ST:STUDY_SUMMARY                 	stem/progenitor cells (hNSCs) for the treatment of progressive multiple
ST:STUDY_SUMMARY                 	sclerosis. We report the analysis of 1 year of data from the first cohort of 15
ST:STUDY_SUMMARY                 	patients from two trial sites that received increasing numbers of allogeneic
ST:STUDY_SUMMARY                 	hNSCs delivered via intracerebroventricular injection in combination with an
ST:STUDY_SUMMARY                 	immunosuppressive regimen. No treatment-related deaths nor serious adverse
ST:STUDY_SUMMARY                 	events (AEs) were observed over the 12-month follow-up. Participants displayed
ST:STUDY_SUMMARY                 	stability of clinical and laboratory parameters, as well as lesion load and
ST:STUDY_SUMMARY                 	activity at the brain MRIs, compared to study entry. Longitudinal metabolomics
ST:STUDY_SUMMARY                 	and lipidomics analyses of cerebrospinal fluid and serum from these patients
ST:STUDY_SUMMARY                 	identified time and dose-dependent responses, with increased levels of free
ST:STUDY_SUMMARY                 	fatty acids and acylcarnitines in the CSF, especially at the highest dose of
ST:STUDY_SUMMARY                 	injected hNSCs at the one-year follow-up time point. Finally, a significant
ST:STUDY_SUMMARY                 	inverse correlation was found between the highest dose of injected hNSCs and the
ST:STUDY_SUMMARY                 	smaller parenchymal brain volume change (PBVC; Spearman’s rho= -0.7, p= 0.03),
ST:STUDY_SUMMARY                 	clinical covariates that correlated with CSF levels of free fatty acids,
ST:STUDY_SUMMARY                 	acyl-carnitines, oxylipins, conjugated bile acids and purine breakdown and
ST:STUDY_SUMMARY                 	deamination products, such as hypoxanthine. The absence of AEs and the stability
ST:STUDY_SUMMARY                 	of functional and structural outcomes is reassuring in terms of risks and
ST:STUDY_SUMMARY                 	represent a main milestone to rigorously address the challenges for the safe
ST:STUDY_SUMMARY                 	translation of key principles of stem cell biology into effective regenerative
ST:STUDY_SUMMARY                 	medicines.
ST:INSTITUTE                     	University of Colorado Anschutz Medical Campus
ST:LAST_NAME                     	Stephenson
ST:FIRST_NAME                    	Daniel
ST:ADDRESS                       	Research 1 South L18-1303 12801 E. 17th Ave., Aurora, Colorado, 80045, USA
ST:EMAIL                         	daniel.stephenson@cuanschutz.edu
ST:PHONE                         	303-724-3339
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and female
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SUBJECT_SAMPLE_FACTORS           	1228	DS1-123-153	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-153+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1219	DS1-123-154	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-154+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1249	DS1-123-155	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-155+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1228	DS1-123-156	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-156+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_oxylipinsSerum.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	lumbar puncture for serum and CSF collection (stored at -80°C)
CO:SAMPLE_TYPE                   	Serum
#TREATMENT
TR:TREATMENT_SUMMARY             	A total of 180 candidates volunteered between September 26, 2017, and January
TR:TREATMENT_SUMMARY             	13, 2020. The study was conducted in three centers. Two Italian centers, the
TR:TREATMENT_SUMMARY             	‘IRCCS Casa Sollievo della Sofferenza’ Research Hospital (Site 1) and the
TR:TREATMENT_SUMMARY             	‘Santa Maria di Terni’ Hospital (Site 2) recruited patients and performed
TR:TREATMENT_SUMMARY             	the MRI examinations. The Multiple Sclerosis Centre of the Neurocentre of
TR:TREATMENT_SUMMARY             	Southern Switzerland (Site 3) performed the magnetic resonance imaging (MRI)
TR:TREATMENT_SUMMARY             	analysis. The ICVI of the ACT was performed at Site 2. Screening was done one
TR:TREATMENT_SUMMARY             	month prior to enrolment in the study. The run-in period started after the
TR:TREATMENT_SUMMARY             	screening examination (Run-in-START) and lasted three months (Run-in-END). After
TR:TREATMENT_SUMMARY             	screening in the two recruiting centers (as above), n= 15 subjects with active
TR:TREATMENT_SUMMARY             	and non-active SPMS suffering from progressive disability were found to be
TR:TREATMENT_SUMMARY             	eligible, consented, and were assigned a unique identification number.
TR:TREATMENT_SUMMARY             	Participants, nine females and six males, had a mean age of 50 years (range:
TR:TREATMENT_SUMMARY             	38–57), and were recruited in similar proportions by the two study sites. The
TR:TREATMENT_SUMMARY             	mean EDSS was 7.6 (range 7–8), mean disease duration was 23 years (range
TR:TREATMENT_SUMMARY             	14–30), and mean time from diagnosis to secondary progression was 10 years
TR:TREATMENT_SUMMARY             	(range: 1–20). The hNSC-SPMS study was advertised using the website of the
TR:TREATMENT_SUMMARY             	hospitals and social media (eg Facebook and Twitter). The first patient
TR:TREATMENT_SUMMARY             	selection was performed based on the documentation provided. Selected patients
TR:TREATMENT_SUMMARY             	were then summoned in Site 1 and Site 2 (as above) for a first pre-screening
TR:TREATMENT_SUMMARY             	meeting with the clinicians. Patients who agreed to participate were then
TR:TREATMENT_SUMMARY             	subjected to the screening visit for the clinical trial. Following the surgical
TR:TREATMENT_SUMMARY             	procedure, follow-up visits were performed monthly up to 12 months. Before
TR:TREATMENT_SUMMARY             	transplantation, all patients underwent the following examinations (at both
TR:TREATMENT_SUMMARY             	Run-in-START and Run-in-END): physical and neurological exams; vital signs;
TR:TREATMENT_SUMMARY             	pregnancy tests (in fertile women); haematological and urine tests; lumbar
TR:TREATMENT_SUMMARY             	puncture for serum and CSF collection (stored at -80°C);
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Extraction of metabolites and lipids from serum and cerebrospinal fluid (CSF)
SP:SAMPLEPREP_SUMMARY            	was as follows: 40 µL CSF or serum was aliquoted into 2mL deep well plates
SP:SAMPLEPREP_SUMMARY            	followed by an addition of 360 µL cold MeOH:MeCN:H2O (5:3:2, v:v:v). Plates
SP:SAMPLEPREP_SUMMARY            	were then placed on a shaker at 4°C and plate shaker was set to 400 RPM for 30
SP:SAMPLEPREP_SUMMARY            	minutes. Insoluble material was pelleted by centrifugation (4000 RPM, 10 min)
SP:SAMPLEPREP_SUMMARY            	and supernatants were isolated for analysis by UHPLC-MS. All 96-well plate
SP:SAMPLEPREP_SUMMARY            	pipetting was done using Integra MINI 96 (Integra Biosciences).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Oxylipin Negative
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um)
CH:SOLVENT_A                     	20:80:0.02 ACN:Water:Formic Acid
CH:SOLVENT_B                     	20:80:0.02 ACN:IPA:Formic Acid
CH:FLOW_GRADIENT                 	0min - 0.35ml/min - 0%B, 0.5min - 0.35ml/min - 25%B, 1min - 0.35ml/min - 25%B,
CH:FLOW_GRADIENT                 	2.5min - 0.35ml/min - 40%B, 2.6min -0.35ml/min - 55%B, 4.5min - 0.35ml/min -
CH:FLOW_GRADIENT                 	70%B, 4.6min - 0.35ml/min - 100%B, 6min - 0.35ml/min - 100%B, 6.1min -
CH:FLOW_GRADIENT                 	0.35ml/min - 0%B, 7min - 0.35ml/min 0%B
CH:FLOW_RATE                     	0.35ml/min
CH:COLUMN_TEMPERATURE            	60
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	EI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Software for Feature Assignments - El-Maven
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak area
MS_METABOLITE_DATA_START
Samples	DS1-123-002	DS1-123-004	DS1-123-006	DS1-123-008	DS1-123-009	DS1-123-010	DS1-123-012	DS1-123-013	DS1-123-016	DS1-123-017	DS1-123-019	DS1-123-020	DS1-123-022	DS1-123-023	DS1-123-024	DS1-123-026	DS1-123-029	DS1-123-030	DS1-123-033	DS1-123-034	DS1-123-036	DS1-123-038	DS1-123-040	DS1-123-041	DS1-123-044	DS1-123-045	DS1-123-047	DS1-123-048	DS1-123-049	DS1-123-052	DS1-123-053	DS1-123-054	DS1-123-055	DS1-123-056	DS1-123-059	DS1-123-060	DS1-123-061	DS1-123-062	DS1-123-064	DS1-123-065	DS1-123-066	DS1-123-067	DS1-123-068	DS1-123-069	DS1-123-074	DS1-123-075	DS1-123-077	DS1-123-078	DS1-123-079	DS1-123-082	DS1-123-084	DS1-123-086	DS1-123-088	DS1-123-089	DS1-123-090	DS1-123-091	DS1-123-092	DS1-123-095	DS1-123-096	DS1-123-097	DS1-123-098	DS1-123-101	DS1-123-104	DS1-123-107	DS1-123-108	DS1-123-110	DS1-123-112	DS1-123-113	DS1-123-115	DS1-123-118	DS1-123-119	DS1-123-120	DS1-123-121	DS1-123-122	DS1-123-126	DS1-123-128	DS1-123-129	DS1-123-132	DS1-123-135	DS1-123-137	DS1-123-138	DS1-123-140	DS1-123-141	DS1-123-143	DS1-123-144	DS1-123-147	DS1-123-149	DS1-123-150	DS1-123-151	DS1-123-152	DS1-123-153	DS1-123-154	DS1-123-155	DS1-123-156
Factors	TIMEPOINT:START	TIMEPOINT:START	TIMEPOINT:FU1	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:FU6	TIMEPOINT:FU3	TIMEPOINT:START	TIMEPOINT:START	TIMEPOINT:FU6	TIMEPOINT:REND	TIMEPOINT:FU9	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:START	TIMEPOINT:FU12	TIMEPOINT:REND	TIMEPOINT:FU12	TIMEPOINT:FU6	TIMEPOINT:FU1	TIMEPOINT:FU6	TIMEPOINT:START	TIMEPOINT:START	TIMEPOINT:REND	TIMEPOINT:FU6	TIMEPOINT:FU12	TIMEPOINT:FU1	TIMEPOINT:FU12	TIMEPOINT:REND	TIMEPOINT:START	TIMEPOINT:FU3	TIMEPOINT:FU1	TIMEPOINT:FU9	TIMEPOINT:FU1	TIMEPOINT:FU12	TIMEPOINT:FU9	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU12	TIMEPOINT:FU6	TIMEPOINT:FU9	TIMEPOINT:START	TIMEPOINT:FU6	TIMEPOINT:FU1	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:REND	TIMEPOINT:FU3	TIMEPOINT:REND	TIMEPOINT:START	TIMEPOINT:FU6	TIMEPOINT:FU12	TIMEPOINT:FU3	TIMEPOINT:START	TIMEPOINT:FU12	TIMEPOINT:FU1	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU3	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:START	TIMEPOINT:FU6	TIMEPOINT:REND	TIMEPOINT:FU9	TIMEPOINT:FU12	TIMEPOINT:START	TIMEPOINT:START	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU6	TIMEPOINT:REND	TIMEPOINT:FU9	TIMEPOINT:FU6	TIMEPOINT:FU3	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:FU12	TIMEPOINT:FU3	TIMEPOINT:FU1	TIMEPOINT:START	TIMEPOINT:FU3	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:FU12	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU3	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU3	TIMEPOINT:FU9
12(13)-DiHOME	53094.96	82547.93	174836.83	92728.73	111575.84	80008.46	125325.5	75116.18	129186.29	143107.98	66350.7	97663.85	200561.75	88842.22	87265.79	98172.75	261680.44	283628.12	98368.81	143824.31	225608.33	165948.7	128943.5	121971.56	100796.59	22640.62	172166.77	119817.87	95327.46	70576.51	216411.5	145468.91	358574	181613.5	82280.09	99776.53	83063.16	187147.92	146084.62	82840.66	97784.23	66168.15	78910.27	83798.89	75563.66	166851.23	91343.97	94450.55	126252.76	100100.93	183046.17	62821	142940.02	81924.55	109552.12	117368.32	257667.45	300018.5	66638.82	115763.88	112486.23	95793.7	157763.48	128334.63	106178.12	112791.23	78414.47	95551.44	85448.76	197749.73	97618.47	112803.84	113231.87	91945.94	220498.8	149488.25	216096.38	112775.53	88643.66	127678.98	189915.11	71850.12	135191.16	201770.73	86207.78	85290.15	116607.48	199075.3	94331.13	111108.45	100699.23	109320.73	100339.73	85828.54
12(S)-HETE	1532997.12	293299.84	318151	1572566.38	156221.69	2132392	299193.53	2136367	1500540.62	214908.86	963360.69	105983.09	172175.41	1393806.88	101052.78	586033.25	135815.42	94877.82	668352.31	45495.56	229974.75	170959.3	1373084.38	197775.58	48423.97	0	61309.98	51947.45	18816.38	855395.44	174083.05	83837.21	23810.47	536677	83654.14	485728	1418991	144918.98	419757.28	109407.68	287904.41	1061857.38	852474.31	2733160.75	2689071.75	44956.45	952477.31	246527.5	79611.69	3140816.25	760945.69	6269872	1180802.38	615202.88	154488.89	2034304	678831.25	2509443	2223902.25	4647949	2058190	1478165	2078787.62	35163.22	584812.81	2497004	1451707.62	1512516	3128231.75	1389738.5	364008.25	1987669	199688.45	1754114	215535.75	1008013.75	239210.45	658983.69	10495953	10110801	1328819.12	671078.06	2314841.25	451376.84	995266.19	2378393.5	2798901	205257.3	207177.31	1055414.12	120117.05	1574524	52905.68	393071.25
13(S)-HODE	94498.69	167712.25	308153.69	251623.56	284124.44	188042.3	251419.38	402391.5	205592.55	137953.88	212920	146155.53	360457.91	283997.03	197731.05	157090.83	353948.09	258925.02	287403.31	255198.89	392507	202662.55	179867.73	166631.86	192865.38	23061.68	302181.5	167777.67	168567.39	111305.79	295822.25	211311.02	213699.77	229242.27	174987.2	129617.48	128264.98	74783.47	208239.42	86721.49	132840.62	128691.44	157580.95	113750.59	119696.77	198704.58	158168.67	138568.95	194949.31	161456.2	196444.12	152203.56	245185.08	82822.74	191725.55	192100.75	368271.5	176745	92681.34	213834.17	194824.27	179080.05	249982.25	204799.05	271540.31	160384.67	99596.71	237467.02	176934.27	350433.91	142370.03	87787.1	139230.3	91101.66	328002.53	217750.62	150413.92	125056.93	255306.81	409976.78	147965.89	83571.6	138069.94	177386.2	86058.83	188277.38	204673.14	380335.59	199074.14	405072.34	53458.06	223164.95	167707.31	129359.93
13-14-dihydro-15-keto Prostaglandin D2	18363.75	8476.87	9166.95	8221.42	4347.42	13830.68	4725.47	14055.27	8643.34	3387.84	9623.07	5665.8	2424.08	6991.56	1762.09	11377.02	3963.01	5020.2	8678.57	4151.1	2400.81	4837.51	22419.78	10398.41	3084.68	1245.12	5214.73	2362.23	3935.4	4975.83	6378.17	2458.2	4094.63	5316.12	2121.45	8201.48	9676.09	5508.73	8616.21	3574.42	6411.67	8515.04	7956.16	12361.83	20700.43	1476.21	6160.48	4857.46	2870.53	12704.07	8400.39	43079.29	6933.37	14135.23	4826.23	14611.68	7157.33	12257.7	15032.35	20018.37	9047.77	8942.97	8853.38	4898.76	1846.19	18335.41	11589.27	10862.09	15214.44	8852.84	4210.14	20052.33	3698.6	21950.72	5766.08	7429.67	8096.45	9034.49	39586.96	37406.42	12169.57	11610.6	22376.65	7877.28	13434.28	23929.39	27372.77	7384.39	3811.11	6167.32	1579.61	10890.5	4113.22	3572.63
13-OxoODE	85329.38	121574.47	111429.51	105920.09	169103.45	93942.29	234683.86	90852.48	58719.36	199582.02	75652.45	47197.57	111090.72	85976.16	62392.91	55585.25	140277.38	105959.71	68967.43	42453.41	65352.33	99613.38	21651.72	58980.02	63506.92	7773.73	77430.41	77870.75	24994.06	43620.2	52536.82	42052.36	106922.1	82415.05	56595.84	60875.27	42529.04	10899.5	38484.8	46562.86	33125.52	39421.19	26693.08	54392.16	49039.21	38675.56	19255.3	38886.02	54185.99	42973.8	46882.37	30689.61	54888.36	51522.46	38015.15	60967.61	45274.28	19221.89	35659.83	40256.89	36371.09	32424.57	33620.67	41630.32	55175.68	28524.9	21888.54	21134.13	32601.13	71758.95	32891.5	31948.66	35268.25	29312.06	60573.75	64198.11	48169.62	50369.86	30076.85	64151.12	24274.65	28542.25	41501.36	48294.3	23649.96	28963.59	31240.14	111142.97	83889.96	71944.02	25987.4	60477	42464.71	53269.06
15(S)-HEPE	13606.18	6343.19	12746.34	23850.94	3941.74	22706.28	7399.97	22711.97	29107.58	4558.24	19410.96	3967.44	18926.02	12999.29	6498.46	4779.28	4522.18	8876.86	25833.45	2988.43	11652.92	14665.77	136034.62	11295.05	5598.21	2674.69	13426.61	7584.13	19807.73	9904.34	9261.9	14237.32	6644.83	10890.06	6976.24	9102.66	13861.96	9539.34	10441.24	6951.67	7093.42	51364.51	15068.3	43174.01	23241.8	18146.86	20947.25	25983.22	26831.68	61565.08	16897.72	128363.94	64736.78	11506.93	9246.58	35635.48	12311.04	59078.5	30970.12	63953.64	46129.14	23220.42	81742.16	8069.3	20375.74	41176.66	25760.08	33891.44	44617.98	21129.58	7744.45	20105.53	8279.43	41732.68	13795.04	19086.51	4250.24	14895.68	231073.06	507741.34	15239.87	8679.58	24459.34	7121.74	10977.85	54550.27	42127.73	8061	7415.06	13816.97	4220.22	17368.83	5347.57	10994.83
15(S)-HETE	70847.09	18792.8	45439.93	59492.04	26301.88	70848.25	28196.22	68188.02	38059.55	10070.46	39737.27	22867.91	22099.99	58338.75	13831.28	34963.56	11254.79	13637.2	34792.54	9856.54	22569.29	17736.13	77999.59	24070.41	14103.12	0	11835.99	10421.81	2062.63	33726.16	17225.38	10455.86	9381.47	12886.65	9889.1	19114.89	49136.95	12259.25	31955.14	16103.48	20720.96	26452.59	44227.03	73813.45	86688.56	12995.3	27692.29	12155.62	16129.62	78031.44	30826.65	250283.75	53578.75	24601.88	16002.73	53020.78	19491.59	72318.29	53969.65	152123.81	18501.53	42333.73	63153.21	17028.91	19325.24	85696.63	42526.66	49870.64	67617.89	42252.62	18374.16	52542.61	11151.34	59948.06	20954.75	36889.12	13853.73	33179.67	197297.88	242648.33	35869.27	29662.67	65673.23	14401.91	31397.12	90832.62	100444.91	29251.91	18902.99	37235.6	7125.12	51096.09	15018.69	22089.95
17(S)-HDHA	21006.47	2137.7	9546.87	68951.7	4415.1	71119.51	15388.11	52285.08	38308.8	1729.76	58313.3	1615.79	4963.55	17718.75	4183.61	1897.36	5336.65	1542.09	4581.71	1840.75	2466.6	12835.25	123253.84	2688.52	2798.59	0	2462.56	4371.68	3631.58	3116.03	0	11666.74	1130.32	6292.79	0	5281.97	12576.51	0	9273.19	2071.77	2252.54	151423.05	25058.86	109722.41	105279.12	2060.89	19864.47	12220.62	9132.85	145934.83	50319.14	534907.5	466375.84	29928.08	6343.64	90035.38	0	259461.48	36715.02	200409.31	97105.13	68886.06	374513.22	4370.66	60903.41	90067.73	75280.6	122131.29	109855.07	12114.46	1658.38	0	22384.24	121419.85	23014.54	49515.71	0	70988.09	395825.66	927936.25	35396.39	7257.33	55925.33	0	6409.17	181006.25	82379.37	3188.56	9927.5	40444.44	2022.42	61537.11	0	11177.3
5(S)-HETE	29813.55	4230.31	31881.67	11216.69	13301.92	30024.67	12635.79	6820.44	7929.35	1883.03	6533.45	16521.61	9788.55	5582.18	2419	10054.4	1869.74	5160.75	7000.47	2216.52	14403.59	6216.09	7673.41	14190.21	2103.29	594.89	4593.78	3078.22	0	3475.24	10441.9	3312.33	0	5327.8	1925.1	3775.18	11433.42	0	13528.95	2729.01	0	13273.48	8221.52	16464.47	23662.35	1972.2	14043.57	4994.58	5249.19	6359.75	13910.61	19914.94	19029.04	15771.77	8800.71	8438.71	3496.36	16897.52	8548.66	13809.25	56075.09	10485.85	18927.73	4402.52	46810.23	5531.29	11215.14	15237.46	13259.88	7120.07	3622.38	5812.15	12832.93	11274.37	6217.18	6183.94	0	9419.71	19419.86	68247.54	19179.91	6691.99	10178.73	0	6551.27	18219.45	10352.23	14193.2	2625.46	2042.25	0	4009.14	0	3579.47
9(10)-DiHOME	29278.01	62997.62	126273.65	81866.43	89743.9	48897.68	98029.91	75823.91	91328.43	148833.08	54060.75	109285.03	164909.52	100605.79	58059.36	60036.61	146073.09	367165.25	126434.03	118178.43	174311.23	85465.71	85396.15	71488.48	72586.4	14684.47	209588.2	81499.16	107502.02	64441.36	181031.45	142990.45	253611.45	234319.39	65103.79	86146.84	91353.04	121625.04	118631.85	64835.29	100157.72	59856.22	70893.47	65091.14	60473.67	119905.12	71428.82	81324.32	81710.7	85125.43	102657.75	59740.24	129948.81	44196.57	122162.27	126540.19	303080.03	284058.84	74368.12	100569.41	130447.51	88131.74	129332.88	141803.05	90140.16	70645.09	46606.07	157229.45	76311.81	782327.44	105777.32	89014.79	103992.81	72091.55	178768.62	118571.96	136212.06	126695.41	77066.1	107363.78	259016.88	64581.76	78154.91	155705.67	68500.54	92779.16	104612.98	136234.81	75915.21	243989.88	50529.56	100511.84	71879.35	52581.11
9(S)-HODE	88608.76	122151.93	221720.86	206761.67	250762.06	168142.12	217413.17	362478.16	160143.02	137701.08	185450.67	117118.01	315558.75	285982.03	123143.37	129844.19	351908.47	244808.23	190506.05	151019.8	299689.16	172691.58	151763.7	135644.67	137727.25	15319.26	224906.94	133568.25	158583.47	107085.84	231714.88	156232.12	216522.58	227184.3	112604.41	110678.7	115843.66	62970.86	157751.98	72099.24	96297.31	96346.01	150390.67	135632.89	112695.79	130448.12	119374.47	106409.59	116814.37	127707.85	152847.12	175196.98	202149.7	68415.53	157961.16	180805.8	360837.03	103226.09	85451.29	246161.67	153532.97	155245.27	171989.7	164628.08	178781.05	196835.81	96221.99	156650.77	153687.48	291512.88	102439.76	60826.81	93382.72	48600.75	343398.12	169454.56	116777.55	113647.82	315929.88	347330.72	105973.98	62473.68	105427.27	136574.39	66488.84	183933.14	195685.62	417789.28	137206.88	271237.78	29084.23	167947.08	115596.3	121307.48
9-OxoODE	12321	18202.53	42319.05	26014.35	32877.56	34184.41	36396.51	46460.72	15011.82	20158.44	24252.98	22753.95	40097.86	26496.33	10279.92	13234.58	35680.67	30184.09	19943.33	13571.16	19617.85	21062.97	9046.89	10573.63	19527.11	2954.07	29748.69	14949.62	12599.84	22188.23	19445.48	14192.98	28684.5	25851.63	14759.22	12025.7	15710.73	11680.61	16471.35	12202.36	11444.23	14571.2	17040.72	17680.81	12659.34	12735.05	12234.89	38695.28	20588.75	11883.56	13149.89	10513.3	19251.57	16920.99	20669.7	13773.07	17603.21	9253.29	12370.36	11304.34	17705.69	21162.7	19707.55	19403.04	51045.19	18209.86	11856.2	12925.65	16483.38	27970.06	14736.88	12296.37	15658.81	17322.97	28338.42	18867.76	23550.75	20733.72	15706.63	13292.03	12609.22	8574.53	14036.56	18651.4	11977.96	12091.78	14684.32	30001.51	12378.3	22819.13	11421.18	12931.56	15285.3	16442.62
a-Linolenic Acid	456868.78	1339789	1425376.38	2087681.5	3425082	1183031.38	2380795.75	2922505	2546607.25	886030.06	1700893.88	710491.25	6217196	2248626	2064477.38	802977.5	1170202.38	462240.09	1574472.88	2268651.75	3853461	3700805.75	1055698.88	1898461.62	1718001.12	4410.29	2971648.25	1806910.62	124860.18	761937.31	1880021	1106698.5	382560.34	2122814.75	1372184.12	1358652.5	924926.5	149634.39	2075114.5	625492.19	580588.44	1655517	1419755.38	1344283.88	534911.88	947367.81	1502491	379156.66	1841147.5	948077.56	2250249.5	888348.44	1633386.88	320500.34	1452139	1782146.38	154183	135976.06	266532.72	1872220.38	2574161	1954584	1277052.12	2448086.25	1247242.38	1591422.62	1065188.38	920208.19	1350334.38	1713696.38	985984.19	159378.3	969375.56	298648.28	977975.06	1617153.12	260823.3	767596.69	1294044	2279789.75	727605.94	336237.22	241875.45	311362.41	366747.16	1566068.88	1375796.62	1094352.12	2149990.75	2178037.25	98377.13	1276269.12	1104417.25	2361682
Arachidic Acid	17193.57	4190.47	6982.88	7756.27	2682.89	0	4416.56	9553.53	18054.75	1128.57	6363.61	10240.12	12242.31	6991.38	8330.96	8041.18	1780.58	2431.85	17445.29	7199.98	8939.84	14344.64	6047.3	12324.51	22838.24	8335.57	14272.4	6699.83	1861.15	15234.49	15664.28	3985.61	7749.58	6458.06	12934.55	8170.88	14631.79	0	10078.06	10482.14	8607.14	15511.47	5111.47	11092.52	13098.01	13497.44	23111.07	8504.39	5238.26	4492.61	8987.5	2763.09	10183.68	8047	10301.52	6798.71	5275.08	6545.44	2780.7	6110.19	4823.64	4950.24	8066.18	5387.26	7815.49	4919.18	2370.97	10407.25	4752.83	2399.16	1795.35	1924.48	5510.71	4114.61	2089.65	9338.15	1180.53	8240.88	8346.61	14703.14	13672.59	1061.48	5853.67	4361.77	17347.11	11384.09	12798.79	6265.12	10816.67	16388.29	1983.22	5711.46	17196.42	9680.83
Arachidonic Acid	28190542	23809582	36015420	29066338	31419232	39042396	21551666	35445588	35626220	23314774	39686880	13291120	39554100	29647402	30316008	21884612	13984153	10172268	33288838	18232186	35818752	29177520	34772820	24934198	16302293	63174.86	24142440	19837750	11849951	18396012	24436698	15066197	11658960	29508090	20665376	23362632	21102174	9448655	31206600	19456336	16494005	20517536	23864064	32085290	27986208	3730471.25	20769368	11565808	16705951	36948628	26626088	39870972	17740430	12227576	31895914	26934098	10048745	11995227	14603843	47608268	33113806	38168688	59765392	16930144	23636346	20415034	16816286	26928280	34526028	38636348	31184054	18675042	13444755	20167282	12801952	42365760	11284749	16533065	19328898	38363804	31496762	15986051	25244368	11971000	15768432	23622544	30762302	21167226	18643194	32971074	7034533.5	33373994	15775048	55732724
Chenodeoxycholic acid	71154.62	100562.66	367926.88	649661.81	385117.25	140173	100862.59	123908.38	25003.82	670474.88	179815.36	574312.62	37699.4	78355.23	428947.16	440062	219360.08	3902580	316703.97	618505.19	58580.75	454896.84	204075.25	358832.59	1131724.5	0	2318584	47662.45	212586.02	335363.5	182063.86	1380435.75	100798.41	39996.51	97335.4	131979	153633.39	407922	607660.62	194606.75	1446686.12	2422710.25	50199.11	622813.81	781458.75	1332153.5	325165.16	69803.63	488317.03	253061.08	187762.45	629901.81	1125130.62	2532363.75	31179.61	356402.59	199016.88	901497.69	139093.39	305447.66	298243.66	118380.2	260789.94	1688268.12	247815.58	152810.81	369212.47	209630.55	244248.62	160542.77	256695.36	62951.07	648059.44	2423445.75	1209378.12	257069.11	5938146	285784.16	416978.91	160869.58	1907665.38	1335569.12	3225890.25	6190702	613797.44	469216.91	404807.12	149597.23	1171756.12	115817.37	244785.52	192815.67	503864.59	44333.91
Cholic acid	302106.22	81293.27	2696509.75	1045167.19	805870.25	184433.56	172889.19	319357.97	77245.72	948123	415090.5	1549958.62	82525.99	234851.33	443963.84	507084.16	682211.56	3733266	376493.25	1851660.62	138432.23	691734.19	109386.2	736354.75	1995558.62	0	5290958.5	128498.82	195512.17	294920.62	91669.79	1883241.88	554185	126118.6	222567.5	128205.62	276057.66	258387.17	939922.19	245861.2	2301072.25	5163411.5	40554.08	192664	1073742.5	1537703	360980.09	121835.78	316977.41	106725.05	136901.64	276670.53	184999.31	9137565	62367.78	115214.57	311577.56	1278387.75	102996.97	46309.43	357251.97	65597.98	892758.69	555718.31	245997.58	95645.23	134899.06	482378.22	91217.95	58689.46	38666.92	210401.17	121533.66	1740603.5	767053.44	120867.84	12087339	198092.05	236503.7	32261.33	571125.44	2251864.25	1717848	12679308	263045.12	287675.47	150398.36	294008.22	793270.19	235359.33	314794.84	274422.91	1555003.88	271936.66
Decanoic Acid	577119.94	1174420.38	439651.91	2053252.12	741071.69	491440.59	753805.81	263393.34	317153.5	1042605	357653	575889.56	408587.75	225247.98	1315711.5	669977.19	943634.19	447856.84	442079.03	287804.22	444977.66	303616.28	343353.09	544511.75	1491532.5	5600.73	229556.56	490671.91	172661.34	795902.44	301635.34	398697.34	743917.19	557422.19	677027.94	125108.6	308881.53	134339.95	297333.28	1327052.12	632500.69	120636.16	674229.31	155550.86	638189.12	104696.68	75405.7	484345.03	227480.95	563964.19	324581.25	191803.23	213960.75	229247.31	1058078.12	185998.64	46722.4	60371.89	99165.97	305357	113309.93	1281853.62	438561.75	419303.09	123573.74	219789.69	221650.58	97966.1	708284	139672.44	841992	580009.06	368983.16	187894.42	183725	542034.94	84374.12	1352161.5	241293.39	360875.16	1011637.19	99189.57	730646.56	95676.91	972624.69	312978.53	1167581.38	421136.59	641805.06	212264.55	78817.41	202337.02	438334.09	222669.42
Deoxycholic acid	1668127.62	2728492.75	1304686.88	2151525.75	1883953.88	868954.81	1283240.75	1680957.12	1495443.38	2351384	2047270.88	3085417	1277835.62	1699677.12	2464201.75	3267500	1208335.5	6833290.5	2413944.25	3598828	3174009.75	3880375	11583048	4903620.5	2480024.25	40881.35	7215917.5	1726897.12	7107473.5	1238944.38	1150223.25	3284032	170160.25	1506786.62	388391.41	2915840.75	1628133.12	859498.5	4268556.5	3594641.75	4307298.5	2319078.75	2348867	6023380.5	3991746	5883380	1449829.5	2566389.25	3762109.75	852744.44	3308970.75	7211916	2727753	5352804	2383442.25	2814765.25	1897484	2984586.75	3126863	2264997.25	339332.88	3693911.25	2539518.75	7118853.5	955801.31	2689790.75	6808927.5	1362669.12	4577901.5	3144920.75	5595399.5	2214674.75	2390842.25	8226492	3804341.25	3154671	8159655.5	1676971.38	4872059.5	4486945.5	7134112	2528846.75	6812520.5	9134700	3150818	5603985.5	4292990	1449214.5	5451321.5	831176.31	3845684.75	2302673	494401.78	2180170.75
Dihomo-y-Linolenic Acid	135495.38	187164.44	244641.5	257362.55	213272.12	175007.95	157707.31	174817.38	216101.5	90205.4	205480.75	146318.27	434612	175384.38	259775.98	143916.2	94585.66	78919.6	153777.98	190791.17	241862.75	131962.86	115481.88	97940.81	170223.92	0	124806.53	185678.23	27138.8	113916.16	94457.88	126051.21	51257.38	202000.33	176622.58	116330.66	141594.14	25392.31	110835.3	111761.87	104206.05	103382.74	169646.88	129329.04	103168.21	59834.04	137245.42	59128.81	130616.96	145417.62	165374.42	137488.77	108647.02	66062.81	197554.98	271158.62	22765.11	45608.76	59125.75	255973.55	154621.56	201789.02	203285.19	130711.34	151966.22	138724.67	93910.66	113890.77	173924.42	236087.12	196293.39	49253.92	73852.97	60556.56	47026	260585.58	45145.38	141600.61	121829.29	232375.88	106587.37	59430.59	50776.5	48617.88	70928.55	143950.02	172551.89	125046.4	173388.19	216299.33	73732.34	182347.73	119302.32	428890.34
Docosahexaenoic Acid	4180257	4875487.5	7765594.5	5805080	8533594	5649854.5	6681140	8273577.5	10132147	4577312.5	6700530.5	5142605.5	15125989	8682353	10063519	5059302.5	3949667.25	3236741	7546640.5	8801459	14356512	14875937	21969042	10168372	9179377	71918.92	9594272	8120574.5	6032054	5163605.5	9266728	13874653	3520679.25	5810703.5	6856344	7315141.5	3968076.25	3463551	8140894.5	4470678.5	3804980	7207218	6968236.5	6475652.5	4779727.5	5542711.5	6337000	3636942.25	11340469	6054752	12996440	4921631.5	11133581	4152670	9398617	8162396	1388922.5	1771837	2623917.75	8536727	8347232	12618824	10701852	10616103	7490046	8211010	6955624.5	6200852	9421955	8630094	8955253	2498663.75	6437581.5	3061730	4760279.5	11064885	1266179.5	5013488.5	8332856.5	11775379	7031352	3085711.25	3579775.25	2404119.75	4802928.5	8977806	10511049	4904974	6708942.5	6709911.5	1488457.12	7496741.5	5416466.5	13484735
Docosapentaenoic Acid	388113.75	687520.69	1087333.38	686243.62	1420929.62	762065.56	885826.5	1559022	1688489.38	432222.41	1569908	547914.75	3272518.25	1559251.12	1201705	393758.97	280997.84	170315.61	1021891.81	1116144.62	1893878.38	1162923.5	2223716.25	1078694	884113.19	0	1027922.69	1059911.25	156679.19	366248.97	644937.25	1475181.88	116620.53	1056304.25	1009777	638759.12	435344.91	99453.03	827067.81	442184.97	330209.56	464248.22	872987.81	714234.94	321225.31	206919.62	482428.5	186315.3	1021514.75	705192.25	1458844.38	665252.44	968884.06	217330.25	1201503.88	1278535.5	45360.39	96263.23	139126.17	1188149.88	1147263.5	1279609.88	1271205	1510717.88	947619	953790.19	488575.38	548237.31	737403	1343613.25	806062.44	160499.61	468939.16	159717.11	340614.59	1534866.12	211116.36	465666.28	707824	1666245.62	587811	155197.39	125578.98	175209.27	248924.77	1065172.12	1169667.88	581564.44	847675	1554067.88	131696.14	1189167.38	460423	3160346.25
Eicosapentaenoic Acid	346416.09	431872.38	1043244.19	632081.94	864050.94	569501.12	630229.88	1064120.12	1184228	317861.5	589823.94	309761.34	2453302.25	845105.5	836342.19	499756.72	253489.39	240808.86	581706.62	604584.25	1485320.38	1276111.5	6026287.5	849492.5	560623.38	4077.48	1116328.38	729618.31	1345626.5	472373.88	898903.25	2546949.5	179202.05	812869.69	588749.06	626752.56	379461.84	347819.91	973328.69	326241.66	388587.5	955366.06	1133134.12	892196.44	401963.91	466890.5	838867.5	373371.12	914635.69	774860.69	1219453.88	675441.12	979418	386633.41	977516.5	1003817.19	174293.36	279860.72	382271.59	855663.25	868255.75	1080691.88	1227200.62	957106.94	666635.31	878433.5	690655.69	793223.19	1009209.69	974185.06	517126.72	200265.06	632778.69	453502.5	615875.19	1112340.88	148090.02	533418.12	897085.56	3227518	538936.75	394593.47	357647.72	196541.83	318222.5	1026838.81	1106036.38	537046.31	557323.94	757793.69	182532.06	711388	412408.59	1285164.25
Glycochenodeoxycholic acid	13705729	6066379.5	4115779.25	14354000	4430389	23736114	28347232	17156902	946026.81	27131206	25292818	10251171	6531390.5	6213406	4845479.5	8728391	17361290	30978042	25056186	5654900	1184923	16583733	7003400	8207703.5	9469900	10274.2	14446897	1379230.12	4325841.5	6075780.5	9695789	5014519.5	22193878	2989876.25	2749397.25	11892477	10851763	8564209	7918594.5	24105200	8071165.5	13431153	922709.81	12806416	6020008	12183205	4504342.5	7018033.5	19888496	1793370.38	4419732.5	4050397.75	13376175	6426160	1620711.88	1985897.62	61861676	75584344	19465930	3908852.75	8885845	2932723.75	1900044.38	17238222	12271357	3344820.75	5181702	11670029	1746798.62	8427329	1996420.62	3864492.75	20586784	15931180	31557178	4648404.5	18060438	4352244	1897390.38	1348240	7939042.5	5348312	19557210	20825320	10542301	2214947.75	2356995.75	13271361	10026026	6819078.5	10411533	8751459	10722407	2246415.75
Glycocholic acid	1989524.88	1077057.62	738957.44	2842435.25	238648.36	3260293.75	3954028.25	2978098.25	414180.53	3293682	4061546.75	2406927.25	1702942.62	1012186.25	675273.44	875235.69	3865089.75	3787332.25	3651219.25	1650816.62	336033.41	1392542.88	650043.44	809838.69	1925547	12712	2728180.25	923160.31	483800.16	511094.97	850384.69	374507.38	5286236.5	764831.94	753663.19	1959578.88	1855107.62	716714.31	958990.06	3452255.25	781388.56	1473265.38	596677.44	1410883.38	262481.19	3149286	803468.19	1915814	2751003.75	166355.48	722870.5	396704.75	1325776.38	2315276.25	231410.58	232883.75	13326024	17039674	2337392.25	378394.72	1589457.12	430919.16	874827.5	4998876.5	729675.5	852422.25	539837.44	772766.5	509642.5	1035605	181181.39	450540.78	2754376	3849237.25	3675138.75	380523.5	3555668.75	250907.06	171436.11	245253.52	632375.5	1532830.5	2718597.75	3696150.75	1016497.75	228418.45	183607.95	1578642	1367000.5	648579.56	3109242.25	1787543.5	2918179.75	2200327.5
Glycodeoxycholic acid	2932380	1736105.38	1348902	2031538.38	992919.5	6851444	10355237	8016722	795705.56	8367493.5	20853436	3884057.25	1941218.5	3086037.75	2355728	5434945	4203758.5	10254185	15252456	5446817	1203512.62	11021268	9424881	8356466.5	3957482.25	7215.23	8583583	1091648.38	3837522	1762102.88	3075122	1470640	1928785.12	1053039.88	526709.56	9644673	3175272	1090493.12	5610612.5	17467420	3332205.75	2278637	534453.81	8123216	2338852.25	9464001	1108331.75	5784232	9249849	341474.66	3870334.25	5425520.5	4246223.5	2668785	1542868.62	1080987.75	19515458	21473686	13671743	1630818.5	993639	1993392	1412379	13799989	2403551.5	3277085	7235610.5	2462055.75	2108764.5	7978175.5	1631630.38	3255593.75	6860679.5	5386268.5	12436300	1513292.88	6355145.5	1338444	1622273.12	1106442.5	2553304.75	2843732	8815691	6863176	3426208.25	1743996.62	1486948.38	4148668.25	2979657.25	2591388	7448562	6615584	1105441.38	1911776.88
Glycolithocholic acid	363287.34	127055.21	28907.86	126520.56	53698.11	132025	340563.97	596793.62	55459.07	329995.03	880088.81	29692.12	74549.56	59141.84	58776.45	98005.3	382951.5	750064.19	481670.34	17397.79	44298.96	149142.02	745038	175251.02	50640.34	0	78522.98	49723.14	229377.7	228522.62	154908.86	154153.88	426207.59	137775.31	37540.29	311216.16	261613.83	32737.91	298723.03	1295696.38	427222.09	113362.4	119648.37	37147.75	245229.23	61456.32	79780.55	294826.03	192493.7	23105.12	63515.53	70310.42	264269.38	60545.37	216572.75	44961.62	1111953.38	2592985	429664.75	75718.31	18507.23	102008.12	62455.96	1277797.38	316780.88	209616.23	431505.12	261141.77	193433.2	159731.5	103997.93	149361.34	615248.94	121542.16	377637.41	286658.47	246316.92	109414.48	86783.12	92699.96	528918.81	13761.59	69530.13	281460.97	110502.09	100896.09	107609.09	392696.66	132169.42	28770.7	962070.25	238181.17	71725.8	17880.2
Glycoursodeoxycholic acid	1290870.38	1276033.38	312606.34	3275798.75	1461620.38	1946445.88	1594816.88	906733.81	42581.38	1788667.62	867901.44	1175141.12	300105.72	421502.91	779673.5	1157247.5	2038468.62	5909880.5	1130125.5	1030986.31	85678.71	510712.5	744072.69	335573.06	2130643	0	1195198.12	127385.05	1072024.12	554719.06	175741.36	405440.09	966213.69	484066.66	216636.92	499050.34	925394	613560.69	522626.09	3223054	895925.19	685854.19	46815.98	2080079.38	1525350.88	1241632.12	341875.28	607122.56	871577.5	193929.95	515818.41	545568.5	470258.09	1265234.12	116535.12	650285.44	3309120.75	4574247.5	1382137.38	794212.31	364260.41	252353.06	177947.58	918605.94	598322.69	413684.28	490099.12	803887.81	243454.88	812228.69	689117.38	204844.62	888503.5	3126056.25	2510290	525380.81	2869047.75	445033.91	999623.75	363806.97	2826909.25	1320465.62	7970432.5	2874232.75	3149040.75	1422880.38	1822142.88	787536.81	839168	246763.88	918311.06	150595.22	1246715.5	247082.81
Heptadecanoic Acid	21333.33	14641.4	16804.04	15751.14	14056.09	5268.95	9281.59	21551.65	21723.28	8413.55	27002.52	9323.53	46053.14	16517.37	36948.27	13657.49	29196.12	8798.53	25622.03	32281.14	22095.89	9785.19	13870.73	16879.41	27981.75	1380.33	19754.85	22886.08	14401.79	10601.56	12942.01	22318.8	17256.98	23330.95	33747.93	19771.76	22001.74	6066.93	11300.11	43691.61	21362.37	17500.66	32172.98	33885.96	7835.94	10653.34	8151.66	6243.3	17794.07	75837.32	14331.26	15707.3	13401.3	7059.38	35024.03	24603.3	2560.38	12176.28	5232.78	71564.7	14849.52	46585.39	98230.09	28313.85	63461.39	29765.05	5000.67	9917.89	8394.25	73786.57	78009.78	74707.62	34213.5	11144.25	28678.89	72098.88	72160.37	30760.9	12399.22	16496.06	73604.65	18434.73	26116.47	44134.74	15554.36	19151.19	23103.23	12268.04	25931.85	30583.79	46636.33	14790.1	39012.11	246068.31
Lauric Acid	94791.48	94842.12	158425.58	198154.42	195836.8	192670.98	205188.5	350810.16	312733.22	193034.3	198402.89	124989.38	659111.19	353647.38	159156.02	180194.77	163598.33	159917.05	407960.84	119308.78	346696.97	283948.88	171976.12	212384.95	145258.36	23969.96	294425.78	200630.64	13498.01	208860.19	292591.34	143261.36	65231.02	216690.33	143236.95	115292	161392.14	41447.5	282987.97	88976.22	113963.25	192906.7	201130.73	174218.64	97223.44	154429.67	148597.36	79232.52	196303.38	128489.28	176382.58	92050.1	204364.38	110994.53	279154	221798.88	135929.62	205744.5	47500.38	258885.73	183724.08	249997.2	196223.98	195966.56	102328.02	176650.3	94273.25	71503.45	163210.86	133225.55	169401.59	30940.4	165920.05	88842.49	296593.66	254905.2	48323.23	167181.14	143125.05	340873.28	94742.03	61387.39	94774.53	32043.35	66617.9	144116.25	220800.38	251220.75	192583.02	261133.12	21667.95	214261.56	109519.02	201522.45
Leukotriene B4	38768.32	10379	37639.64	7294.99	7529.83	18381.39	7296.41	10950.53	7808.92	7371.8	14400.83	35268.77	11635.24	9667.9	7572.34	11759.08	4782.17	4404.82	13025.99	7638.69	12534.23	11062.88	17782.82	16831.87	7133.08	902.98	14834.79	10937.93	17614.19	11481.06	13671.6	7981.11	8203.86	10438.4	7477.47	9663.95	25993.99	9742.9	17390.99	8017.15	11075.43	28233.21	5966.39	27449.01	24400.59	27889.3	18705.2	34963.84	8935.41	16157.49	5856.66	31599.41	33722.7	37481.81	6064.24	11222.96	11473.13	38418.96	15741.64	10771.05	81440.93	9471.46	13219.19	6146.12	75789.46	15473.37	12744.83	29245.41	7717.93	11856.39	9126.83	11577.26	18073.09	51087.62	16739.73	11828.83	5409.6	22124.74	24478.51	97399.9	35050.67	12357.25	18904	9667.37	15887.89	17305.62	18154.12	25775.63	8423.42	8221.45	9507.74	16018.95	10468.99	9890.89
Linoleic Acid	5000864.5	8057830	8990764	8189904	16021065	9031077	10386167	23266070	11948933	6433803.5	18883030	6505018.5	22242042	22343248	10606932	3866698.25	4970140	3490442	12136547	11889683	10199369	9827671	6250453.5	9816776	10132749	11787.12	11805616	7275647.5	917065	5145952.5	7950000	5447069.5	1970183.62	12154092	10584773	8514381	4712446	619569.19	9556709	5254176	3291727.75	3137052	6155844.5	6035648.5	3721664.75	3316861	5081916	1668957	11947868	6385424	8527200	4557981.5	13226928	1920352.12	8456280	11274671	975774.81	736960	1677072.88	8926543	8353085.5	10318625	8707298	17556522	7701075.5	6715292	4201517.5	4019966.25	6900330	16686979	7960990	2248110.5	6745766.5	1581921.88	4587905.5	12028340	2908260	5829698.5	6943930.5	10885650	5401615.5	1558986.12	901008.19	2414069.25	2579578.75	11459212	9162345	7667751.5	8614127	20352714	1173507.5	14216695	4935594.5	17910806
Myristic Acid	584524.88	801101.19	1431065	1226437.38	1276457.38	1445116.5	1131732.5	1342317.12	2224591.25	520076.03	1064447	870967.94	4132097.25	1242569.38	1276224.88	1125673.62	435185.59	285598.34	1241628.88	1483693.62	2320585.75	1444186.38	817903.19	1128632.62	1429777	70513.84	1685841	1370242.38	150632.77	967326.25	1419249.62	908443.19	234870.17	1419342.88	1106101.5	886570.5	870957.69	124322.77	1332406.62	498805.12	553231.44	1104018.5	1224403.88	1019875.94	610414.94	669433.5	859233.5	376499.41	1230406.62	868965.56	1538974	640879.94	1142569	519635.12	1212606.38	1589891.12	179456.19	185159.77	233900.61	1849306.12	1028169.31	1765392.88	1018135.81	1114628.38	667686.56	1444753.38	789861.06	373674.09	1497855.62	1312625.12	845073	132609.61	744414.94	358749.09	716562.94	1650163.62	167150.05	751915.5	1057836.38	2266267	517119.09	326089.41	346896.41	160270.56	323332.84	1132516	1333257.88	1271161.12	1216767.12	1157694.88	126345.38	1042466.5	820967.81	2157264.25
Oleic Acid	9676530	15310689	8762692	12251373	15552867	9389292	12591655	13505043	9852561	8609800	15935567	5161954.5	20118622	9207232	17210452	7221393.5	12691881	4795511.5	10673225	16080025	13816372	5170476.5	8962285	7214093.5	11903237	11874.15	8492021	10090376	3567816	5091014.5	5287131.5	9578556	5979079.5	10351973	16003287	7386620	7417967.5	1268487.38	4533727.5	10745888	6555372.5	5029795	11833083	12299725	4061543.75	3072980	3734088.75	1427906.38	11956453	15470000	8465460	6195856	6948824.5	1579161.88	13067029	9442223	2176759.75	2007177.38	2009427.12	23583280	7173672	16216803	19812364	18273656	17096726	13891184	4313492	6143272	8651855	17571878	17563438	8321604	15159924	2333545.75	13074775	17726790	7331415.5	11808997	5554989.5	10070116	15016680	3585028	3972577.75	5937185.5	4862979	8723407	13305589	5841134.5	12631333	14575895	3025384.25	8082078.5	12673240	25348384
Palmitelaidic Acid	7971190.5	9668276	10993621	10063889	15237460	14471851	11503267	13602279	11912939	6865098	13951743	7293492	20089136	8664253	17193950	8902871	4533767.5	2844388.25	8697813	15778353	15199095	8169451.5	9672088	9797793	12717607	173359.83	12677915	7856102	987731.81	5004089.5	8831340	8508697	2156258	11019736	14981455	8705711	5391734.5	739813.5	8411220	7219218.5	4232632	5724532	12239241	7390972	5976505.5	2980800.75	7085281.5	2012157.88	14222075	15909351	8469799	5254136	8695015	1433738	15904683	10787427	586140.81	542941.81	1146132.38	20172574	9985726	22800726	18044038	24297318	12878720	10166181	5386631.5	4845499.5	11581712	12358671	19301544	2531969.25	9117032	1696047	5462232	20558670	1549347.62	8174113.5	6188449.5	11585021	9690461	1565861.12	1706739.38	1618766	3485691	7668992	11955716	7559918.5	11274069	11508392	669585.19	9548339	8363363.5	35564796
Palmitic Acid	282237.62	373282.97	249260.08	294674.59	289577.47	193237.08	290077.59	246810	316338.09	206088.56	230850.8	187762.14	510922.72	195825.3	360413.84	189461.64	819299.25	253687.11	325398.09	310291.41	330893.59	131313.03	204048.95	187653.39	303023.59	68859.16	203684.2	298440.75	756108.75	221754.75	141509.69	315268.22	573070.62	342823.91	408301.38	228331.38	280177.16	327125.78	121919.52	668463.5	385377.97	187227.58	307958.34	383544.91	152747.3	116960.32	166260.56	63770.71	186691.62	654571.5	226269.33	191512.7	204335.61	160958.2	310373.56	316256.59	193060.7	295122.62	94830.78	582164.19	212105.81	352325.5	1099553.62	434643.75	610491	357595.97	133591.7	225171.5	165867.8	686216.44	580278.19	1858926	440152.91	233045.38	665295.81	542574.62	1881647.62	491315.34	232233.45	215996	518539.91	480031.09	882354.5	1299701	265536.22	347615.91	277918.62	271893.91	294552.88	398347.53	1184633	226388.48	387442.66	1334811.25
Pentadecanoic Acid	54788.36	84910.85	31091.87	27008.98	102009.04	63739.09	23222.38	51234.45	194998.42	83299.09	118728.56	13344.41	293542.5	57160.17	197978.12	55055.06	71082.51	66061.59	145561.7	200667.31	209051.02	26785.32	28916.67	91348.22	195392.05	10985.14	104384.4	85050.38	88841.19	34893.83	41013.48	101648.96	86958.38	75663.41	231488.75	26602.02	104061.56	37905.51	39800.33	133599.17	113589.87	161728.55	99696.21	254692.27	24424.03	13862.53	46536.33	59098.45	85464.89	181845.94	69524.26	116239.85	19243.28	17304.37	184539.67	193992.05	34638.57	23150.66	24867.88	238844.55	102415.38	237176.3	240685.83	154166.55	159339.25	183956.02	64151.46	64572.68	136756.75	272012.53	286080.81	100186.34	106015.16	45201.8	211739.67	296245.25	97773.44	97151.45	25415.99	43336.52	133305.36	56228.58	93003.56	90755.03	62425.98	19938.22	101897.79	86499.65	272953.56	147184.64	148015.31	116268.1	220078.7	613374.31
Prostaglandin A2/B2	0	2665.45	7690.45	0	0	4790.09	5023.42	3811.05	0	3447.23	2773.23	5044.5	3082.27	0	0	0	0	0	3553.09	0	0	0	7101.78	0	2980.67	0	0	3589.48	8237.94	8243.4	2966.96	2467.95	0	2880.99	0	0	5582.05	0	3839.42	3160.56	5363.02	2857.55	0	2157.15	6413.76	28741.84	0	22604.18	0	12492.23	0	0	0	0	0	2891.31	2181.83	3141.55	0	2959.19	5282.58	2583.48	0	2898.27	14705.89	0	0	0	0	3149.09	0	0	4364.22	4937.44	0	2489.63	0	2908.49	0	10882.38	2300.99	0	0	2859.97	0	2783.16	7087.7	0	0	2445.45	0	8724.39	6374.05	0
Prostaglandin D2	9022.3	1460.64	1858.61	4135.25	1077.95	6319.45	2664.89	7698.86	5798.91	2940.65	2993.31	3611.17	0	5148.65	1416.93	4950.27	2487.55	4359.21	2105.21	2838.55	2355.04	2205.81	8722.19	3205.76	1156.58	1046.87	2314.45	938.47	2412.19	7415.85	2333.61	4122.81	1699.96	5968.01	1574.45	3173.59	10606.09	2410.22	4495.16	1402.62	3366.4	2388.41	2494.08	6484.12	8820.8	2484	1317.67	3795.93	2376.06	5735.2	4530.16	13010.56	4166.51	2663.06	1258.67	5848.49	1437.81	4390.89	5468.81	8459.17	1646.22	3608.08	4491.32	1762.26	1858.22	8517.74	4102.39	4985.35	4987.46	5993.03	3343.31	5280.23	2216.88	5492.22	2890.23	3729.15	4111.92	6048.13	17091.3	17876.39	4370.09	3427.39	3976.08	3061.04	4735.63	9298.33	11971.11	4228.5	4127.85	4416.28	2653.99	4037.42	3505.73	2448.93
Prostaglandin E2	13407.43	3654.92	2811.87	10733.12	1473.63	14196.33	3419.53	14201.03	8313.21	2220.19	7342.34	4854.8	3914.38	7943.6	1912.38	7035.14	1725.19	1148.18	6645.71	2735.1	3500.53	4876.16	16625.74	5458.25	2554.93	0	2593.99	2064.64	3948.9	15690.9	3448.62	4289.5	1585.75	10775.52	1315.08	6129.28	20695.09	5211.69	8780.8	2868.64	7054.59	5956.88	4795.89	13690.18	18391.82	7335.67	5113.16	5359.92	2489.78	9999.25	5741.49	29357.96	8787	4271.54	4362.86	10998.18	3427.16	7681.87	7241.21	23164.59	8920.43	6247.74	6460.99	1859.93	1225.35	16039.81	7285.59	7087.68	10321.88	10306.01	3652.44	7052.21	4868.61	10008.1	2113.08	8121.84	3056.71	10290.28	38264.46	34141.34	7751	3255.84	8090.85	4283.26	6094.3	16257.48	32591.46	7284.88	3925.38	7710.48	2240.76	11380.93	2120.62	4591.44
Prostaglandin F2a/11b-Prostaglandin F2a/Prostaglandin E1/(±)5-iPF2a-VI	12569.74	4791.72	8482.63	8988.11	6232.86	11005.91	5373.51	13097.95	7854.22	5490.25	6684.13	8556.68	2726.38	7465.87	1956.69	8909.97	5233.99	5428.51	7476.76	3747.92	4537.6	1492.14	17348.91	6248.92	1757.71	1721.18	4383.19	3092.91	5249.99	11974.71	2792.18	2681.93	3789.11	9158.46	4700.02	7095.41	15734.47	5538.87	3870.35	5791.56	7617.07	4981.86	8910.22	13060.17	13267.42	5582.53	6191.31	4777.05	5344.69	11842	6904.41	32593.79	9829.1	7811.27	4473.99	7264.45	7220.1	13928.8	9419.89	20015.73	8322.9	7766.32	12553.32	4369.3	2599.88	16921.85	10091.24	9204.23	10537.62	9672.57	4820.85	10445.83	3569.87	14656.81	3810.19	8634.69	8355.89	12502.09	25803.65	30529.05	8393.93	7443.09	13100.23	7118.1	8400.14	13881.45	21224.74	7015.69	4456.77	7205.73	7703.26	8777.37	4509.32	4277.74
Stearic Acid	708464.06	777672.19	532675.19	652713.06	618268.75	192760.23	583967.12	619930.56	656564.44	385407	427932.34	509938.91	906658.19	563626.56	629284.75	443878.84	253096.5	238208.94	555475.31	419733.34	478682.34	554904.19	307038.75	569815.56	536158	102867.41	417229.25	521201.25	474616.84	572512.44	360849.84	619354.69	208559	550144.19	805571.69	632404.69	680351.56	126609.98	534219.19	558464.44	386967.34	475361.28	469580.59	666769.81	473956.84	512231.41	413840.78	401585.84	517810.5	438464.84	694725.25	643338.56	774613.31	330495.66	655369.5	699794.31	143849.33	234258.33	227132.67	811444	554152.44	487479.75	781242.44	543528.25	576780.56	744152.81	371171.75	491941	350707.22	513366.09	410642.16	381285	520115.09	287287.31	396287.5	830586.69	335539.34	682154.94	521084.34	854117.75	650293.44	280587.12	307392.69	370154.5	497583.16	604214.69	707221.94	492491.91	719801.31	797709.31	202528.83	526496.94	529644.81	1140081.38
Taurochenodeoxycholic acid	850828.69	764950.94	231887.25	1292975	410487.38	3316908.75	5240334.5	2215731.25	215311.55	3354456	2475982.75	482408.66	1166226.62	342226.34	952709.06	486312.16	4490937.5	2001069.38	1880293.38	785367.75	150903.14	3132056	165908.58	851919.19	924029.31	0	1823331.62	311493.09	344649.94	768991.19	2352981.5	257313.8	8626511	446956.84	915490.81	2558675.25	1262883.88	150209.7	1061331.88	4344066.5	325173.16	1032793.44	113931.07	4352464.5	135238.95	643266.81	345506.41	533700	5080429.5	216538.61	1581522	472046.34	1905546.88	519281.34	117751.62	162749.11	13252575	12702443	2196662	392390.88	2114350	206262	153855.05	4735730.5	1328579.75	280778.06	752912.94	685537.69	189230.45	764501.69	153282.14	312004.41	6105352	1129451.5	4030780	425372	2232820	551631.94	165438.55	377543.88	550937.94	1032028.69	1856612.62	2587534.75	717182.94	244583.48	174501.77	782256.94	987104.44	325175.16	829258	425458.66	1534378.5	387733.38
Taurocholic acid	173976.56	106188.93	79437.84	286745.53	46169.84	411379.12	915436.19	553743.69	134152.77	462733.22	524416.38	125831.22	394403.75	87214.23	161778.33	64675.16	1185872.12	210343.2	387170.16	208898.8	80312.48	299009.34	34867.48	126389.35	218941.31	1107.42	362134.41	273541.06	41036.47	138053.42	196725.8	31525.09	2520763.25	186949.23	231431.92	401277.59	306405.66	24092.62	146070.77	875419	76811.95	205251.55	125131.88	693464.06	13918.04	374642.59	75440.35	234165.12	1312174.38	42118.03	229881.12	58409.08	621181.69	246069.7	33893.82	31206.36	2976872	2794910	572502	63545.91	498319.41	71236.74	87002.71	2036855.88	139440.58	64290.12	110697.03	114081.06	78990.05	229066.33	20148.04	77439.66	956535.56	372492.09	585758	77809.28	632604.06	54029.16	27113.04	127208.8	73096.98	309056.22	365134.22	703231	117477.94	38837.8	24047.19	164080.17	191052.69	70828.73	407681.38	130183.78	538113.31	444721.09
Taurodeoxycholic acid	423975.25	328304.03	108380.25	258243.69	133963.48	1441971.88	2579242	1998694.88	226575.92	1324436.12	3919929.25	296876.97	551569.31	320630.66	576365.94	575680.19	1704903.62	928495.75	1852406.38	1192999.62	189047.08	3098383.75	382868.75	1195527.62	543190.44	0	1815451.88	433274.53	579810.25	423051.5	1350022.62	100551.7	615015.38	411291.25	249298.88	3166281.25	814013.69	33752.6	1049709.12	5406308	219909.7	294671.59	89935.09	4149968	103821.3	711636	83077.31	643532.69	2962156	70383.91	1724715	854555.81	861279	300413.78	125293.95	171124	4016847.25	3640847.25	2244282.75	312545.53	385626.88	253284.25	177421.81	4949528.5	314503.78	348933.25	1516128.12	249717.23	313601.09	970583.75	222113.88	512969.47	3532368.75	515288.84	2199593.5	240862.95	1182236.12	271515.53	251104.58	524316.06	308742.91	621620.06	1189007.62	1131699.38	444262.84	285298.78	202605.17	383530.62	489155.66	234174.2	1003937.5	619963.75	263214.28	448700.41
Taurolithocholic acid	43344.88	40728.79	4707.02	29901.66	5239.26	45914.34	365522.62	78223.95	15689.14	104265.73	183855.05	0	38185.24	1198.33	36082.53	23580.9	175255.12	166706.67	161315.11	32171.78	10120.91	260683.5	42156.77	101910.98	17628.91	0	43897.91	8386.48	55681.57	57830.89	65201.31	6624.41	203212.69	41136.4	14311.57	125158.5	28690	0	32241.38	256788.94	5352.42	19697.31	12727.13	106277.3	12419.45	22305.45	10619.88	45320.08	140794.83	0	70574.06	30497.65	65473.82	12878.52	28024.12	4571.1	303303.97	267723.66	196734.89	16327.25	14232.53	13439.01	3635.31	130355.32	65926.33	18336.09	209532.19	53441.14	26028	76700.31	26595.97	54809.47	114346.91	0	40098.99	28780.88	22715.3	27706.24	0	61453.05	16900.44	8118.85	21183.01	23482.65	21332.33	0	1546.03	30593.68	25468.49	17723.86	115872.71	36331.06	39136.07	5248.37
Tauroursodeoxycholic acid	42611.83	101185.84	12723.13	200898.45	63939.74	143870.11	132675.02	72267.07	4522.32	88067.04	51565.01	26509.01	28981.26	16633.69	66421.8	36234	271132.5	177698.11	43090.93	78217.84	4382.8	58351.31	6667.44	17869.08	127304.23	0	81176.16	11164.25	34588.41	43454.16	17984.59	6536.44	200382.98	51166.26	39919.33	60181.61	63740.99	7347.78	26017.15	376808.34	17060.58	31388.73	0	391518.59	14197.75	36102.94	14295.82	19491.91	124473.43	7742.76	96810.22	21707.62	33478.53	53504.5	1719.49	24387.22	260579.61	338481.72	80298.91	44392.62	40809.84	6129.04	5957.95	131443.88	21719.2	11450.22	27391.01	18238.5	6630.72	34754.25	22501.61	8014.82	111169.76	118942.41	143855.22	20260.72	186331	24688.12	50168.52	54506.41	90009.87	113725.93	358414.09	184275.67	95668.56	75246.02	78034.1	21908.82	43405.59	5882.61	34670.48	9386.43	101568.71	19332.54
Ursodeoxycholic acid	288884.28	250359.5	213828.2	613757.06	405723.09	67348.1	199294.14	98978.96	223904.88	206692.17	145511.88	296068.84	183347.33	95282.23	302227.78	287046.75	211794.05	873269.69	116726.12	238043.61	346624.25	1386338.88	680097.25	900048.81	355558.41	2191.33	606890.06	436079.62	494400.41	372505.25	349384.72	255202.83	89765.65	259247.3	114970.32	1037601.81	285859.03	206087.23	593522.5	923312.81	398164.25	266935.16	213574.05	724686.19	616910.75	209743.62	292661.03	98155.49	139739.09	105348.65	421378.88	1233288.62	134415.33	516498.22	218082.14	434481.09	254451.12	511890.22	912820	325265	96888.12	186613.62	360048.16	154151.98	178556.38	1175886.62	2032743.62	326915.09	296862.97	1591396.62	582450.31	309182.84	93159.02	1155752.88	187723.52	234987.55	1379200.62	537406	1098372.38	421352.16	2369875.75	316280.22	2650850.75	1505284.5	944375.94	1258985.38	1493160.88	234595.33	549825.62	62395.7	487431.09	113529	159637.89	277417.03
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	Pathway	m/z	RT	Polarity
12(13)-DiHOME	C18H34O4	Oxylipin	313.238	3.938	[M-H]-
12(S)-HETE	C20H32O3	Oxylipin	319.228	4.490	[M-H]-
13(S)-HODE	C18H32O3	Oxylipin	295.228	4.323	[M-H]-
13-14-dihydro-15-keto Prostaglandin D2	C20H32O5	Oxylipin	351.218	3.337	[M-H]-
13-OxoODE	C18H30O3	Oxylipin	293.212	4.313	[M-H]-
15(S)-HEPE	C20H30O3	Oxylipin	317.212	4.185	[M-H]-
15(S)-HETE	C20H32O3	Oxylipin	319.227	4.370	[M-H]-
17(S)-HDHA	C22H32O3	Oxylipin	343.228	4.428	[M-H]-
5(S)-HETE	C20H32O3	Oxylipin	319.228	4.692	[M-H]-
9(10)-DiHOME	C18H34O4	Oxylipin	313.238	4.027	[M-H]-
9(S)-HODE	C18H32O3	Oxylipin	295.227	4.375	[M-H]-
9-OxoODE	C18H30O3	Oxylipin	293.213	4.371	[M-H]-
a-Linolenic Acid	C18H30O2	Oxylipin	277.218	5.376	[M-H]-
Arachidic Acid	C20H40O2	Oxylipin	311.296	5.914	[M-H]-
Arachidonic Acid	C20H32O2	Oxylipin	303.233	5.615	[M-H]-
Chenodeoxycholic acid	C24H40O4	Oxylipin	391.285	4.057	[M-H]-
Cholic acid	C24H40O5	Oxylipin	407.281	3.697	[M-H]-
Decanoic Acid	C10H20O2	Oxylipin	171.138	3.006	[M-H]-
Deoxycholic acid	C24H40O4	Oxylipin	391.285	4.131	[M-H]-
Dihomo-y-Linolenic Acid	C20H34O2	Oxylipin	305.248	5.746	[M-H]-
Docosahexaenoic Acid	C22H32O2	Oxylipin	327.233	5.521	[M-H]-
Docosapentaenoic Acid	C22H34O2	Oxylipin	329.249	5.683	[M-H]-
Eicosapentaenoic Acid	C20H30O2	Oxylipin	301.218	5.267	[M-H]-
Glycochenodeoxycholic acid	C26H43NO5	Oxylipin	448.307	3.706	[M-H]-
Glycocholic acid	C26H43NO6	Oxylipin	464.302	3.152	[M-H]-
Glycodeoxycholic acid	C26H43NO5	Oxylipin	448.307	3.821	[M-H]-
Glycolithocholic acid	C26H43NO4	Oxylipin	432.311	4.085	[M-H]-
Glycoursodeoxycholic acid	C26H43NO5	Oxylipin	448.308	3.001	[M-H]-
Heptadecanoic Acid	C17H34O2	Oxylipin	269.249	5.837	[M-H]-
Lauric Acid	C12H24O2	Oxylipin	199.170	4.869	[M-H]-
Leukotriene B4	C20H32O4	Oxylipin	335.223	3.894	[M-H]-
Linoleic Acid	C18H32O2	Oxylipin	279.233	5.665	[M-H]-
Myristic Acid	C14H28O2	Oxylipin	227.202	5.470	[M-H]-
Oleic Acid	C18H34O2	Oxylipin	281.249	5.809	[M-H]-
Palmitelaidic Acid	C16H30O2	Oxylipin	253.217	5.601	[M-H]-
Palmitic Acid	C16H32O2	Oxylipin	255.233	5.802	[M-H]-
Pentadecanoic Acid	C15H30O2	Oxylipin	241.217	5.628	[M-H]-
Prostaglandin A2/B2	C20H30O4	Oxylipin	333.207	3.540	[M-H]-
Prostaglandin D2	C20H32O5	Oxylipin	351.218	3.076	[M-H]-
Prostaglandin E2	C20H32O5	Oxylipin	351.218	3.020	[M-H]-
Prostaglandin F2a/11b-Prostaglandin F2a/Prostaglandin E1/(±)5-iPF2a-VI	C20H34O5	Oxylipin	353.234	3.055	[M-H]-
Stearic Acid	C18H36O2	Oxylipin	283.265	5.874	[M-H]-
Taurochenodeoxycholic acid	C26H45NO6S	Oxylipin	498.289	3.325	[M-H]-
Taurocholic acid	C26H45NO7S	Oxylipin	514.284	2.826	[M-H]-
Taurodeoxycholic acid	C26H45NO6S	Oxylipin	498.289	3.526	[M-H]-
Taurolithocholic acid	C26H45NO5S	Oxylipin	482.295	3.882	[M-H]-
Tauroursodeoxycholic acid	C26H45NO6S	Oxylipin	498.289	2.704	[M-H]-
Ursodeoxycholic acid	C24H40O4	Oxylipin	391.285	3.633	[M-H]-
METABOLITES_END
#END