#METABOLOMICS WORKBENCH juliehaines_20250310_122634 DATATRACK_ID:5713 STUDY_ID:ST003793 ANALYSIS_ID:AN006235 PROJECT_ID:PR002369
VERSION             	1
CREATED_ON             	March 13, 2025, 7:36 pm
#PROJECT
PR:PROJECT_TITLE                 	Advancing the Biochemical Understanding of Maple Syrup Urine Disease and the
PR:PROJECT_TITLE                 	impact of liver transplantation: A Pilot Study
PR:PROJECT_SUMMARY               	Maple syrup urine disease (MSUD) is a rare autosomal recessive metabolic
PR:PROJECT_SUMMARY               	disorder caused by impaired catabolism of branched-chain amino acids (BCAAs),
PR:PROJECT_SUMMARY               	leading to severe systemic dysregulation. The disease has an incidence of
PR:PROJECT_SUMMARY               	approximately 1 in 185,000 live births in the general U.S. population, with much
PR:PROJECT_SUMMARY               	higher prevalence in the Mennonite communities (up to 1 in 140 live births in
PR:PROJECT_SUMMARY               	the latter due to the c.1312T>A p.Tyr438Asn BCKDHA founder mutation). Using a
PR:PROJECT_SUMMARY               	multi-omics approach integrating metabolomics, lipidomics, and proteomics, we
PR:PROJECT_SUMMARY               	analyzed blood samples from three MSUD patients on a BCAA-restricted diet, two
PR:PROJECT_SUMMARY               	post-liver transplantation patients, and six healthy controls. Gene ontology
PR:PROJECT_SUMMARY               	analysis highlighted enriched pathways in MSUD, including glycolysis, oxidative
PR:PROJECT_SUMMARY               	phosphorylation, and purine metabolism, revealing systemic metabolic imbalances.
PR:PROJECT_SUMMARY               	Lipidomics indicated disruptions in sphingolipids and lysophosphatidylcholines,
PR:PROJECT_SUMMARY               	which impact cellular signaling and membrane integrity. Liver transplantation
PR:PROJECT_SUMMARY               	corrected some abnormalities, but several metabolites and proteins remained
PR:PROJECT_SUMMARY               	dysregulated. Proteomic analysis revealed significant alterations in redox
PR:PROJECT_SUMMARY               	homeostasis, energy metabolism, and cytoskeletal organization, with only partial
PR:PROJECT_SUMMARY               	recovery post-transplantation. Post-translational modifications, such as
PR:PROJECT_SUMMARY               	methylation and cysteine oxidation, suggested ongoing oxidative stress and
PR:PROJECT_SUMMARY               	immune activation in the LT group. Elevated levels of L-isoleucine, L-valine,
PR:PROJECT_SUMMARY               	and their ketoacids persisted post-transplant, correlating with impaired amino
PR:PROJECT_SUMMARY               	acid metabolism, lipid remodeling, and protein folding. These findings provide
PR:PROJECT_SUMMARY               	comprehensive insight into MSUD-associated metabolic dysfunctions and highlight
PR:PROJECT_SUMMARY               	potential therapeutic targets to improve patient outcomes.
PR:INSTITUTE                     	University of Colorado Denver
PR:LABORATORY                    	Angelo D'Alessandro in collaboration with D. Holmes Morton
PR:LAST_NAME                     	Haines
PR:FIRST_NAME                    	Julie
PR:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
PR:EMAIL                         	julie.haines@cuanschutz.edu
PR:PHONE                         	3037243339
#STUDY
ST:STUDY_TITLE                   	Oxylipins in blood samples from patients with maple syrup urine disease (MSUD)
ST:STUDY_TITLE                   	in comparison to healthy controls
ST:STUDY_SUMMARY                 	Oxylipins (polar lipid) analysis was performed on blood samples from MSUD
ST:STUDY_SUMMARY                 	patients and MSUD patients post-liver transplantation in comparison to healthy
ST:STUDY_SUMMARY                 	controls.
ST:INSTITUTE                     	University of Colorado Denver
ST:LAST_NAME                     	Haines
ST:FIRST_NAME                    	Julie
ST:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
ST:EMAIL                         	julie.haines@cuanschutz.edu
ST:PHONE                         	3037243339
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and female
#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           	-	AG-88-1	Disease state:Healthy control | Sample source:Whole blood	RAW_FILE_NAME(raw file name)=AG-88-1
SUBJECT_SAMPLE_FACTORS           	-	AG-88-2	Disease state:Healthy control | Sample source:Whole blood	RAW_FILE_NAME(raw file name)=AG-88-2
SUBJECT_SAMPLE_FACTORS           	-	AG-88-3	Disease state:Healthy control | Sample source:Whole blood	RAW_FILE_NAME(raw file name)=AG-88-3
SUBJECT_SAMPLE_FACTORS           	-	AG-88-4	Disease state:Healthy control | Sample source:Whole blood	RAW_FILE_NAME(raw file name)=AG-88-4
SUBJECT_SAMPLE_FACTORS           	-	AG-88-5	Disease state:Healthy control | Sample source:Whole blood	RAW_FILE_NAME(raw file name)=AG-88-5
SUBJECT_SAMPLE_FACTORS           	-	AG-88-6	Disease state:Healthy control | Sample source:Whole blood	RAW_FILE_NAME(raw file name)=AG-88-6
SUBJECT_SAMPLE_FACTORS           	-	AG-88-7	Disease state:MSUD | Sample source:Whole blood	RAW_FILE_NAME(raw file name)=AG-88-7
SUBJECT_SAMPLE_FACTORS           	-	AG-88-8	Disease state:MSUD | Sample source:Whole blood	RAW_FILE_NAME(raw file name)=AG-88-8
SUBJECT_SAMPLE_FACTORS           	-	AG-88-9	Disease state:MSUD | Sample source:Whole blood	RAW_FILE_NAME(raw file name)=AG-88-9
SUBJECT_SAMPLE_FACTORS           	-	AG-88-10	Disease state:MSUD with transplant | Sample source:Whole blood	RAW_FILE_NAME(raw file name)=AG-88-10
SUBJECT_SAMPLE_FACTORS           	-	AG-88-11	Disease state:MSUD with transplant | Sample source:Whole blood	RAW_FILE_NAME(raw file name)=AG-88-11
SUBJECT_SAMPLE_FACTORS           	-	AG-88-12	Disease state:Pool of MSUD with transplant | Sample source:Whole blood	RAW_FILE_NAME(raw file name)=AG-88-12
#COLLECTION
CO:COLLECTION_SUMMARY            	The study was conducted in accordance with the Declaration of Helsinki;
CO:COLLECTION_SUMMARY            	specimens were collected at the Central Pennsylvania Clinic, Boston Children’s
CO:COLLECTION_SUMMARY            	Hospital, and Lancaster General Hospitals under institutionally reviewed
CO:COLLECTION_SUMMARY            	Protocol No. 2014-12 and upon signing of informed consent. Blood collections
CO:COLLECTION_SUMMARY            	were carried out using standard equipment and clinical procedures. To study the
CO:COLLECTION_SUMMARY            	metabolic changes occurring in patients with maple syrup urine disease, whole
CO:COLLECTION_SUMMARY            	blood was collected from 3 patients having diagnosis of MSUD with a biallelic
CO:COLLECTION_SUMMARY            	inactivating mutation of BCKDHA (c.1312T>A p.Tyr438Asn). Additional samples were
CO:COLLECTION_SUMMARY            	collected from 6 healthy controls. Finally, samples were collected from two
CO:COLLECTION_SUMMARY            	patients having a previous diagnosis of MSUD, but who had received liver
CO:COLLECTION_SUMMARY            	transplantations to cure their condition. These two samples were combined 1:1,
CO:COLLECTION_SUMMARY            	v:v, to generate a third replicate for statistical analysis.
CO:SAMPLE_TYPE                   	Blood (whole)
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment was performed
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Blood aliquots were thawed on ice, then 10 uL of whole blood was treated with
SP:SAMPLEPREP_SUMMARY            	with 90 uL of cold 5:3:2 methanol:acetonitrile:water. Samples were vortexed 30
SP:SAMPLEPREP_SUMMARY            	min at 4 degrees C then supernatants clarified by centrifugation (10 min, 10,000
SP:SAMPLEPREP_SUMMARY            	g, 4 degrees C) and transferred to autosampler vials.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Negative C18
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% water/80% acetonitrile; 5 mM ammonium acetate
CH:SOLVENT_B                     	80% isopropanol/15% acetonitrile/5% water; 5 mM ammonium acetate
CH:FLOW_GRADIENT                 	0-0.5 min 0% B, 0.5-1 min 0-25% B, 1-2.5 min increase to 40% B, 2.5-2.6 min
CH:FLOW_GRADIENT                 	increase to 55% B, 2.6-4.5 min increase to 70% B, 4.5-4.6 min increase to 100%
CH:FLOW_GRADIENT                 	B, 4.6-6 min hold at 100% B, 6-6.1 min decrease to 0% B, 6.1-7 min hold at 0% B
CH:FLOW_RATE                     	0.35 mL/min
CH:COLUMN_TEMPERATURE            	60
CH:SAMPLE_INJECTION              	10 uL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	The Q Exactive was run independently in positive and negative ion mode, scanning
MS:MS_COMMENTS                   	using full MS from 100-800 m/z at 70,000 resolution. Electrospray ionization was
MS:MS_COMMENTS                   	achieved with 45 Arb sheath gas, 15 Arb auxiliary gas, and 4 kV spray voltage.
MS:MS_COMMENTS                   	Calibration was performed prior to the run using the PierceTM Positive and
MS:MS_COMMENTS                   	Negative Ion Calibration Solutions (Thermo Fisher Scientific). Run order of
MS:MS_COMMENTS                   	samples was randomized and technical replicates were injected after every 4
MS:MS_COMMENTS                   	samples to assess quality control.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	AG-88-1	AG-88-2	AG-88-3	AG-88-4	AG-88-5	AG-88-6	AG-88-7	AG-88-8	AG-88-9	AG-88-10	AG-88-11	AG-88-12
Factors	Disease state:Healthy control | Sample source:Whole blood	Disease state:Healthy control | Sample source:Whole blood	Disease state:Healthy control | Sample source:Whole blood	Disease state:Healthy control | Sample source:Whole blood	Disease state:Healthy control | Sample source:Whole blood	Disease state:Healthy control | Sample source:Whole blood	Disease state:MSUD | Sample source:Whole blood	Disease state:MSUD | Sample source:Whole blood	Disease state:MSUD | Sample source:Whole blood	Disease state:MSUD with transplant | Sample source:Whole blood	Disease state:MSUD with transplant | Sample source:Whole blood	Disease state:Pool of MSUD with transplant | Sample source:Whole blood
Hexanoic acid (caproate)	1235234.62	539453.19	1913930.62	854040.25	71160.21	251050.25	248800.94	191362.08	849931.00	694690.06	131089.50	435169.25
Decanoic acid (caprate)	2109905.50	1323485.50	3296647.25	736231.31	1970758.62	2085904.62	539179.75	1122029.88	552536.31	721520.19	938460.69	689253.19
Dodecanoic acid (lauric acid)	2371476.00	2621662.00	4750266.50	3720411.25	5787010.50	2822469.00	1189573.00	10805361.00	827848.94	1131827.38	4437568.50	2503582.00
Tetradecanoic acid (myristic acid)	4811683.50	6372854.00	11573057.00	3470582.00	9078112.00	8967004.00	4814222.50	9543497.00	3374375.00	3577830.00	3883043.75	3760972.75
Octadecanoic acid (stearic acid)	3477058.00	3433401.00	3702858.25	2830851.00	3834695.25	4853784.00	2296093.00	4044167.25	1977166.38	1901526.00	1831944.12	1840280.50
Palmitelaidic Acid	1939849.38	5558682.50	8216685.50	2168975.75	19109294.00	6309048.00	12302091.00	9134581.00	4805578.00	4165382.75	1941091.38	2861228.25
Arachidonic Acid	22196186.00	41367564.00	75012160.00	33714948.00	53608544.00	41711708.00	78571528.00	34710060.00	50204684.00	23840858.00	22926376.00	27377734.00
Docosahexaenoic acid	3427198.75	4758490.50	10602339.00	3931856.00	11457048.00	5244116.50	9529378.00	10104607.00	5766281.50	4330436.50	5906200.00	4290981.50
Eicosapentaenoic acid	906874.94	3117919.25	3210110.75	2257281.50	3561648.00	3834067.25	3455973.25	9148926.00	3755308.25	1447228.38	2823518.75	2102186.00
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	1090923.75	1889480.38	3111334.25	2068831.00	3520255.75	1981565.50	3122292.00	3147655.75	2768994.25	1438858.38	1509530.38	1423029.00
a-Linolenic Acid	1598150.00	3713738.75	3453198.75	1510512.00	12462664.00	12462811.00	3634475.00	6421658.00	3676027.25	1316651.38	3130075.75	1993439.38
Dihomo-y-Linolenic Acid	560734.56	1615336.00	1168605.12	652497.69	1917090.62	1093828.12	1935635.00	1207438.38	1138382.38	556584.94	752317.25	582000.81
Linoleic Acid	28100570.00	55863008.00	44269676.00	17774158.00	99914456.00	90875384.00	56737572.00	58524368.00	37075504.00	17332588.00	30102184.00	22396874.00
Heptadecanoic Acid	50265.70	61601.42	54027.36	48250.82	29261.52	67017.10	32895.19	41740.49	63788.45	42931.27	42290.88	40146.88
Pentanoic Acid	24317.99	19232.82	39156.52	18821.70	29369.86	19139.65	40507.47	123187.84	194979.00	49926.69	87021.37	60060.91
Chenodeoxycholic acid	2031902.38	3753014.00	631812.12	818769.81	1335314.50	610705.56	337719.78	342179.72	1015781.00	487717.66	661319.81	537757.31
Cholic acid	3438490.00	115805.40	458258.66	40777.85	28823.28	16187.64	52575.66	38253.80	34935.34	127095.73	17100.28	63892.64
Deoxycholic acid	814168.94	254869.45	196333.36	13836.49	70296.14	5794.93	31494.77	7977.75	177902.52	28585.16	16218.02	20354.13
Glycocholic acid	1970594.50	3419461.75	6896991.50	9487531.00	126713.38	491370.84	190198.50	715016.00	360954.00	19256394.00	229472.88	9443564.00
Glycolithocholic acid	100622.65	560976.25	113034.30	235123.70	363877.16	86885.23	27670.41	35289.49	49122.59	284832.94	34341.11	140793.33
Lithocholic acid	4936.28	9710.15	6068.60	54178.86	12552.58	3286.40	0.00	4635.68	4329.76	9665.54	4729.55	6281.30
Taurochenodeoxycholic acid	676721.31	1148460.00	1155429.12	1725178.00	83279.51	405487.91	83248.91	273575.62	286077.84	12439255.00	113773.45	5988433.50
Taurocholic acid	534328.19	451059.41	518062.00	2132449.00	26012.77	141310.05	26966.56	383468.97	43070.12	7127138.00	66310.41	3165919.75
Taurodeoxycholic acid	362848.34	1496466.50	395416.00	1388649.12	47421.00	579534.00	66336.66	329925.62	178014.00	6311519.50	168571.91	3065165.00
Taurolithocholic acid	19134.91	64596.29	5157.08	85548.25	14338.90	48992.80	2352.66	25698.76	5280.85	105456.50	4702.21	51591.21
Ursodeoxycholic acid	2031902.38	3753014.00	631812.12	818769.81	1335314.50	610705.56	337719.78	342179.72	1015781.00	487717.66	661319.81	537757.31
Glycodeoxycholic acid	2302140.00	12549931.00	5700584.50	6411118.50	1504539.00	1771197.38	945139.94	1066527.38	1344616.88	18013810.00	435778.34	10008992.00
Glycoursodeoxycholic acid	478549.03	1392293.88	4189005.00	178682.77	89537.20	452044.22	521808.34	68724.16	418394.91	1089562.12	52273.12	602406.56
9-OxoODE	3300181.00	1312000.38	4811230.00	2083069.00	318537.66	1512746.38	1565846.00	633016.25	547548.88	3285544.75	361185.00	1818205.38
13-OxoODE	3476644.25	1301028.50	4449360.00	2323746.25	389305.47	1628411.00	1467011.88	598654.94	635372.19	3466733.25	360118.25	1770718.12
9(S)-HODE	9519619.00	4387360.00	12217333.00	6452577.50	1068159.12	3940784.75	4858259.50	1618882.00	1723498.50	9045270.00	964087.50	5075751.50
13(S)-HODE	9832111.00	3830165.00	13254899.00	6649228.00	1092495.00	4356388.50	5288589.50	1617770.12	2233705.25	9702883.00	953682.19	5138188.50
5(S)-HETE	352843.66	298940.44	795482.50	458880.25	112776.41	90881.78	803577.69	102777.46	292029.66	482358.41	81624.07	270889.97
12(S)-HETE	3381434.25	1070787.00	5391412.00	2500462.75	2443170.00	725126.00	1803240.38	490326.75	1910872.00	2554215.75	746213.94	1654420.88
15(S)-HETE	3694773.75	1050504.62	6873933.50	3032021.25	138741.44	295008.59	1911130.12	333800.78	664133.69	3119125.25	232602.30	1810397.12
17(S)-HDHA	141394.56	59813.50	235443.52	101770.15	45649.31	39121.53	124619.27	51008.64	55750.98	115212.27	53951.53	77540.74
Resolvin E1	562734.19	93154.81	1076727.12	327622.22	12525.47	39739.08	56671.48	55279.71	17539.67	502860.91	20340.06	246844.25
Leukotriene B4	1568821.12	452755.12	2323013.00	1191305.38	61026.39	82020.16	476252.91	125534.56	137660.12	1465751.50	71576.34	762080.06
Lipoxin A4	1675988.50	498531.66	2992656.75	1364737.12	20582.08	98330.29	355549.41	117828.44	101651.00	1824834.62	60578.24	916139.81
Prostaglandin A2.ProstaglandinB2.ProstaglandinJ2	85556.48	31973.16	166839.17	62097.77	8139.52	10615.54	32154.40	14560.96	11626.45	86974.20	12062.78	44850.85
Prostaglandin E2	978116.69	309476.25	1549293.88	622077.19	14472.41	62285.17	210254.30	80173.96	51182.07	899210.94	43551.19	460539.66
Prostaglandin D2	964897.69	260656.75	1543027.00	666826.75	21247.31	53697.68	250041.58	69925.13	46850.78	899853.31	34959.52	479698.84
Prostaglandin F1a.Prostaglandin E1.Prostaglandin D1	62330.77	36728.39	128435.34	59838.27	7203.96	4347.70	19955.67	8695.74	8014.32	94896.91	4107.12	54410.82
8-iso Prostaglandin F1a	53043.48	32023.01	120079.04	47658.93	0.00	3665.66	22021.88	8498.46	4488.68	71227.66	2179.81	40302.09
8-iso Prostaglandin F2a	192201.80	73705.28	395100.12	153024.55	4173.84	12504.18	49144.59	23863.93	13897.39	216644.73	10178.91	117692.01
8-iso Prostaglandin E2	978116.69	309476.25	1549293.88	622077.19	14472.41	62285.17	210254.30	80173.96	51182.07	899210.94	43551.19	460539.66
6-keto Prostaglandin F1a	486549.38	213608.73	830269.81	383961.88	15255.80	32483.45	195687.36	49449.62	39506.56	484326.97	29544.51	220558.56
Prostaglandin F2a.11beta-ProstaglandinF2a.ProstaglandinE1.5-iPF2a-VI	452622.84	254026.36	774366.00	377105.84	9395.41	39047.05	118962.71	56917.10	32455.85	563826.19	27708.62	307553.47
15-deoxy-12-14-Prostaglandin D2	391859.84	104793.24	682030.00	309708.03	15485.48	33909.84	123505.55	38575.90	41386.69	377679.72	26470.83	176015.11
13-14-dihydro-15-keto Prostaglandin D2	1135571.88	423116.00	1904808.00	794522.69	27780.21	76581.16	326294.88	93783.27	87352.69	963133.00	51767.29	558626.19
13-14-dihydro-15-keto Prostaglandin E2	964897.69	260656.75	1543027.00	666826.75	21247.31	53697.68	250041.58	69925.13	46850.78	899853.31	34959.52	479698.84
11B-13-14-dihydro-15-keto Prostaglandin F2a	431567.09	191707.05	759467.00	363275.75	17369.25	30697.43	185811.23	49575.95	37222.24	474942.16	26980.67	265564.22
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	Pathway	parent	medRt
Hexanoic acid (caproate)	C01585	Saturated Fatty acids	115.075111	2.71
Decanoic acid (caprate)	C01571	Saturated Fatty acids	171.138138	4.266
Dodecanoic acid (lauric acid)	C02679	Saturated Fatty acids	199.169617	4.829
Tetradecanoic acid (myristic acid)	C06424	Saturated Fatty acids	227.201218	5.416
Octadecanoic acid (stearic acid)	C01530	Saturated Fatty acids	283.264191	5.877
Palmitelaidic Acid	-	Fatty Acids	253.217209	5.526
Arachidonic Acid	-	Fatty Acids	303.232941	5.574
Docosahexaenoic acid	C06429	Poly-unsaturated Fatty Acids	327.233063	5.476
Eicosapentaenoic acid	C06428	Poly-unsaturated Fatty Acids	301.217346	5.254
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	C16513	Essential fatty acids	329.248779	5.635
a-Linolenic Acid	-	Fatty Acids	277.217285	5.318
Dihomo-y-Linolenic Acid	-	Fatty Acids	305.248566	5.725
Linoleic Acid	-	Fatty Acids	279.232819	5.635
Heptadecanoic Acid	-	Fatty Acids	269.248779	4.455
Pentanoic Acid	-	Fatty Acids	101.059326	1.218
Chenodeoxycholic acid	-	Oxylipins	391.285797	4.118
Cholic acid	-	Bile Acids	407.280487	3.685
Deoxycholic acid	-	Bile Acids	391.285828	4.046
Glycocholic acid	-	Bile Acids	464.30188	3.133
Glycolithocholic acid	-	Bile Acids	432.313049	4.072
Lithocholic acid	-	Bile Acids	375.290833	4.506
Taurochenodeoxycholic acid	-	Bile Acids	498.289948	3.34
Taurocholic acid	-	Bile Acids	514.284241	2.834
Taurodeoxycholic acid	-	Bile Acids	498.289673	3.545
Taurolithocholic acid	-	Bile Acids	482.294189	3.912
Ursodeoxycholic acid	-	Bile Acids	391.285767	4.119
Glycodeoxycholic acid	-	Bile Acids	448.307007	3.809
Glycoursodeoxycholic acid	-	Bile Acids	448.30719	2.991
9-OxoODE	-	Oxylipins	293.212433	4.371
13-OxoODE	-	Oxylipins	293.212433	4.305
9(S)-HODE	-	Oxylipins	295.227936	4.346
13(S)-HODE	-	Oxylipins	295.227936	4.301
5(S)-HETE	-	Oxylipins	319.227966	4.649
12(S)-HETE	-	Oxylipins	319.227997	4.451
15(S)-HETE	-	Oxylipins	319.227966	4.342
17(S)-HDHA	-	Oxylipins	343.228027	4.336
Resolvin E1	-	Oxylipins	349.202301	2.994
Leukotriene B4	-	Oxylipins	335.223114	3.903
Lipoxin A4	-	Oxylipins	351.218018	3.862
Prostaglandin A2.ProstaglandinB2.ProstaglandinJ2	-	Oxylipins	333.207458	3.509
Prostaglandin E2	-	Oxylipins	351.217926	2.971
Prostaglandin D2	-	Oxylipins	351.217865	3.059
Prostaglandin F1a.Prostaglandin E1.Prostaglandin D1	-	Oxylipins	355.24942	3.013
8-iso Prostaglandin F1a	-	Oxylipins	355.249359	2.791
8-iso Prostaglandin F2a	-	Oxylipins	353.233795	2.829
8-iso Prostaglandin E2	-	Oxylipins	351.217896	2.968
6-keto Prostaglandin F1a	-	Oxylipins	369.228546	2.502
Prostaglandin F2a.11beta-ProstaglandinF2a.ProstaglandinE1.5-iPF2a-VI	-	Oxylipins	353.233856	2.971
15-deoxy-12-14-Prostaglandin D2	-	Oxylipins	333.207489	3.766
13-14-dihydro-15-keto Prostaglandin D2	-	Oxylipins	351.218018	3.29
13-14-dihydro-15-keto Prostaglandin E2	-	Oxylipins	351.217865	3.062
11B-13-14-dihydro-15-keto Prostaglandin F2a	-	Oxylipins	353.233795	3.17
METABOLITES_END
#END