#METABOLOMICS WORKBENCH michaelsa93_20151201_9336041_mwtab.txt DATATRACK_ID:444 efahy_20160119_153122 STUDY_ID:ST000332 ANALYSIS_ID:AN000531 PROJECT_ID:PR000266
VERSION             	1
CREATED_ON             	January 15, 2016, 12:53 pm
#PROJECT
PR:PROJECT_TITLE                 	Effects of Giardia intestinalis on GI tract
PR:PROJECT_SUMMARY               	This experiment aimed to see the effects of Giardia Intestinalis on the small
PR:PROJECT_SUMMARY               	intestine of mice. The metabolites of the proximal and distal ends of the small
PR:PROJECT_SUMMARY               	intestine of healthy mice were compared to those of mice who had been infected
PR:PROJECT_SUMMARY               	with Giardia intestinalis for 7 days.
PR:INSTITUTE                     	University of California, Davis
PR:DEPARTMENT                    	Genome and Biomedical Sciences Facility
PR:LABORATORY                    	WCMC Metabolomics Core
PR:LAST_NAME                     	Fiehn
PR:FIRST_NAME                    	Oliver
PR:ADDRESS                       	1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis,
PR:ADDRESS                       	CA 95616
PR:EMAIL                         	ofiehn@ucdavis.edu
PR:PHONE                         	(530) 754-8258
PR:FUNDING_SOURCE                	U24DK097154
#STUDY
ST:STUDY_TITLE                   	Effects of Giardia intestinalis on mice GI tract
ST:STUDY_SUMMARY                 	This experiment aimed to see the effects of Giardia Intestinalis on the small
ST:STUDY_SUMMARY                 	intestine of mice. The metabolites of the proximal and distal ends of the small
ST:STUDY_SUMMARY                 	intestine of healthy mice were compared to those of mice who had been infected
ST:STUDY_SUMMARY                 	with Giardia intestinalis for 7 days.
ST:INSTITUTE                     	University of California, Davis
ST:DEPARTMENT                    	Genome and Biomedical Sciences Facility
ST:LABORATORY                    	WCMC Metabolomics Core
ST:LAST_NAME                     	Fiehn
ST:FIRST_NAME                    	Oliver
ST:ADDRESS                       	1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis,
ST:ADDRESS                       	CA 95616
ST:EMAIL                         	ofiehn@ucdavis.edu
ST:PHONE                         	(530) 754-8258
ST:NUM_GROUPS                    	8
ST:TOTAL_SUBJECTS                	28
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1.prox.56	Location:uninfected proximal	
SUBJECT_SAMPLE_FACTORS           	-	2.prox.56	Location:uninfected proximal	
SUBJECT_SAMPLE_FACTORS           	-	3.prox.56	Location:uninfected proximal	
SUBJECT_SAMPLE_FACTORS           	-	5.prox.56	Location:infected proximal	
SUBJECT_SAMPLE_FACTORS           	-	6.prox.56	Location:infected proximal	
SUBJECT_SAMPLE_FACTORS           	-	7.prox.56	Location:infected proximal	
SUBJECT_SAMPLE_FACTORS           	-	8.prox.56	Location:infected proximal	
SUBJECT_SAMPLE_FACTORS           	-	1.dist.56	Location:uninfected distal	
SUBJECT_SAMPLE_FACTORS           	-	2.dist.56	Location:uninfected distal	
SUBJECT_SAMPLE_FACTORS           	-	3.dist.56	Location:uninfected distal	
SUBJECT_SAMPLE_FACTORS           	-	5.dist.56	Location:infected distal	
SUBJECT_SAMPLE_FACTORS           	-	6.dist.56	Location:infected distal	
SUBJECT_SAMPLE_FACTORS           	-	7.dist.56	Location:infected distal	
SUBJECT_SAMPLE_FACTORS           	-	8.dist.56	Location:infected distal	
#COLLECTION
CO:COLLECTION_SUMMARY            	C57B6J mice were infected via oral gavage with Giardia intestinalis, then
CO:COLLECTION_SUMMARY            	sacrificed 7 days later. Intestinal samples containing Giardia were excised and
CO:COLLECTION_SUMMARY            	flash frozen in liquid nitrogen.
CO:COLLECTION_PROTOCOL_FILENAME  	StudyDesign-JohnPham-12814.pdf
CO:SAMPLE_TYPE                   	Small intestine tissue
#TREATMENT
TR:TREATMENT_SUMMARY             	3 segments originating from the proximal small intestine of uninfected mice 3
TR:TREATMENT_SUMMARY             	segments originating from the distal small intestine of uninfected mice 4
TR:TREATMENT_SUMMARY             	segments originating from the proximal small intestine of Giardia­infected mice
TR:TREATMENT_SUMMARY             	4 segments originating from the distal small intestine of Giardia­infected mice
TR:TREATMENT_PROTOCOL_FILENAME   	StudyDesign-JohnPham-12814.pdf
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	1. Weigh 50 mg tissue sample in to a 25 ml conical polypropylene centrifuge
SP:SAMPLEPREP_SUMMARY            	tube. 2. Add 2.5mL extraction solvent to the tissue sample and homogenize for 45
SP:SAMPLEPREP_SUMMARY            	seconds ensuring that sample resembles a powder. In between samples, clean the
SP:SAMPLEPREP_SUMMARY            	homogenizer in solutions of methanol, acetone, water, and the extraction
SP:SAMPLEPREP_SUMMARY            	solvent. 3. Centrifuge the samples at 2500 rpm. for 5 minutes. Aliquot 2 X
SP:SAMPLEPREP_SUMMARY            	500µl supernatant, one for analysis and one for a backup sample. Store backup
SP:SAMPLEPREP_SUMMARY            	aliquot in the -20°C freezer. 4. Evaporate one 500µl aliquot of the sample in
SP:SAMPLEPREP_SUMMARY            	the Labconco Centrivap cold trap concentrator to complete dryness 5. The dried
SP:SAMPLEPREP_SUMMARY            	aliquot is then re-suspended with 500l 50% acetonitrile (degassed as given) 6.
SP:SAMPLEPREP_SUMMARY            	Centrifuge for 2 min at 14000 rcf using the centrifuge Eppendorf 5415. 7. Remove
SP:SAMPLEPREP_SUMMARY            	supernatant to a new Eppendorff tube. 8. Evaporate the supernatant to dryness in
SP:SAMPLEPREP_SUMMARY            	the the Labconco Centrivap cold trap concentrator. 9. Submit to derivatization.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	SOP Extraction of Mammalian Tissue Samples.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	UPLC
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Unspecified
CH:COLUMN_NAME                   	Waters Acquity CSH C18 (100 x 2.1mm, 1.7um)
CH:COLUMN_NAME                   	1.7um Pre-Column
CH:FLOW_GRADIENT                 	15% B to 99% B
CH:FLOW_RATE                     	0.6 mL/min
CH:COLUMN_TEMPERATURE            	65 C
CH:METHODS_FILENAME              	Data Dictionary Fiehn laboratory_CSH QTOF lipidomics_05-29-2014.pdf
CH:SOLVENT_A                     	60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid
CH:SOLVENT_B                     	9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid
CH:COLUMN_PRESSURE               	450-850 bar
CH:INTERNAL_STANDARD             	See data dictionary
CH:RETENTION_TIME                	See data dictionary
CH:SAMPLE_INJECTION              	1.67 uL
CH:ANALYTICAL_TIME               	13 min
CH:CAPILLARY_VOLTAGE             	3500
CH:TIME_PROGRAM                  	15 min
CH:WEAK_WASH_SOLVENT_NAME        	Isopropanol
CH:WEAK_WASH_VOLUME              	5 seconds
CH:STRONG_WASH_SOLVENT_NAME      	Isopropanol
CH:TARGET_SAMPLE_TEMPERATURE     	Autosampler temp 4 C
CH:RANDOMIZATION_ORDER           	Excel
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	WCMC Metabolomics Core
AN:DETECTOR_TYPE                 	TOF MCP
AN:SOFTWARE_VERSION              	MassHunter
AN:DATA_FORMAT                   	.d
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 6530 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:CAPILLARY_VOLTAGE             	3500
MS:COLLISION_GAS                 	Nitrogen
MS:DRY_GAS_FLOW                  	8 l/min
MS:DRY_GAS_TEMP                  	325
MS:FRAGMENT_VOLTAGE              	120
MS:FRAGMENTATION_METHOD          	Auto MS/MS
MS:ION_SOURCE_TEMPERATURE        	325
MS:ION_SPRAY_VOLTAGE             	1000
MS:IONIZATION                    	Pos
MS:PRECURSOR_TYPE                	Intact Molecule
MS:REAGENT_GAS                   	Nitrogen
MS:SOURCE_TEMPERATURE            	325 C
MS:DESOLVATION_GAS_FLOW          	11 l/min
MS:DESOLVATION_TEMPERATURE       	350 C
MS:NEBULIZER                     	35 psig
MS:OCTPOLE_VOLTAGE               	750
MS:RESOLUTION_SETTING            	Extended Dynamic Range
MS:SCAN_RANGE_MOVERZ             	60-1700 Da
MS:SCANNING_CYCLE                	2 Hz
MS:SCANNING_RANGE                	60-1700 Da
MS:SKIMMER_VOLTAGE               	65
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak height
MS_METABOLITE_DATA_START
Samples	1.prox.56	2.prox.56	3.prox.56	5.prox.56	6.prox.56	7.prox.56	8.prox.56	1.dist.56	2.dist.56	3.dist.56	5.dist.56	6.dist.56	7.dist.56	8.dist.56
Factors	Location:uninfected proximal	Location:uninfected proximal	Location:uninfected proximal	Location:infected proximal	Location:infected proximal	Location:infected proximal	Location:infected proximal	Location:uninfected distal	Location:uninfected distal	Location:uninfected distal	Location:infected distal	Location:infected distal	Location:infected distal	Location:infected distal
Acylcarnitine C16:0	54454.68	37878.96	35515.2	49086.24	39640.02	54581.1	54698.7	32504.64	85739.22	93841.86	75637.38	33939.36	73614.66	88405.8
Acylcarnitine C18:0	43632.54	32213.58	26818.68	29547	32804.52	22979.04	42365.4	15890.7	33330.78	29846.88	33151.44	27377.28	52220.28	36356.04
Acylcarnitine C18:1	42818.16	17448.9	22920.24	40419.12	17231.34	42365.4	25175.22	19110	56747.88	84098.7	55201.44	12744.9	32245.92	73623.48
Acylcarnitine C18:2	29958.6	11824.68	13591.62	26480.58	9099.3	31216.92	17075.52	16202.34	47927.88	61584.18	31246.32		14902.86	61157.88
Ceramide (d40:1)	27333.18	25039.98	30246.72	17719.38	37981.86	10472.28	29150.1	18883.62	16158.24	14708.82	23437.68	18504.36	32395.86	18980.64
Ceramide (d42:1)	42062.58	38196.48	39563.58	27444.9	53696.16	21576.66	43394.4	30640.68	30628.92	25316.34	48339.48	37799.58	46055.1	32434.08
Ceramide (d42:2)	40119.24	29547	34368.6	19218.78	53393.34	19912.62	40892.46	28503.3	30852.36	24566.64	37823.1	38646.3	43541.4	32675.16
DG (34:1)	179754.54	75275.76	92580.6	207955.02	119337.54	47742.66	90628.44	47492.76	81914.28	66488.1	261842.28	109282.74	137500.86	82937.4
DG (34:2)	973401.66	713861.4	723492.84	773540.46	719385.66	146676.6	632205.84	235746.84	459195.66	301685.16	994008.12	692125.98	748282.92	376899.18
DG (36:1)	73999.8	53272.8	51688.14	74270.28	55768.86	22970.22	52358.46	29923.32	37767.24	27494.88	90252.12	52570.14	68249.16	41377.56
DG (36:3)	573388.2	256135.74	298213.02	605581.2	362052.18	102623.64	283898.16	160947.36	212023.98	154926.24	800294.46	327695.34	344697.36	240306.78
DG (36:4)	422081.1	134743.14	177208.5	327069.12	206449.74	87597.3	149951.76	58952.88	117403.02	98534.1	283904.04	152009.76	219876.72	135539.88
DG (38:5)	71430.24	40854.24	52261.44	48853.98	53907.84	14994	42944.58	28382.76	33310.2	20659.38	76628.16	51488.22	52996.44	32316.48
DG (38:6)	76295.94	51203.04	57288.84	47492.76	52964.1	14700	48942.18	20588.82	37749.6	20553.54	65197.44	55483.68	67405.38	23258.34
DG (40:6)	239404.2	210368.76	199828.86	142007.88	164825.22	51808.68	201760.44	122559.78	148420.02	60672.78	164237.22	178319.82	184364.46	95820.48
DG (40:7)	105828.24	59349.78	68034.54	91848.54	84486.78	26809.86	71103.9	34415.64	50024.1	29520.54	127972.32	79862.16	86015.58	42453.6
Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0)	7993.86	6679.68	7585.2	7223.58	9604.98		7305.9				8390.76	7982.1	6650.28	6820.8
LPC (16:0)	1489039.44	1368234.84	1039087.14	1222263.84	1158806.88	1864230.48	1453074.42	848925	3156222.3	6908617.8	1485155.7	1185008.16	1602649.86	3795904.56
LPC (18:0)	1695042.3	1544273.22	1237734.12	1456252.56	1533495.18	1348360.44	1769045.04	1060046.4	1818716.34	2818716.18	1698070.5	1683382.26	1774151.82	2601547.2
LPC (18:1)	107439.36	86194.92	71985.9	97999.02	90069.84	160018.32	97710.9	140196.84	290892.42	446465.46	173013.12	101653.44	121189.74	403459.14
LPC (18:2)	208378.38	152294.94	142175.46	203142.24	187375.02	152965.26	192258.36	70718.76	194087.04	265887.72	127987.02	72503.34	181098.12	268713.06
LPC (20:0)	19412.82	17613.54	15479.1	15864.24	20741.7	18351.48	20068.44	14517.72	18730.74	19724.46	25236.96	31893.12	23458.26	26648.16
LPC (20:4)	41356.98	31116.96	30570.12	30805.32	42459.48	46757.76	42512.4	20530.02	78142.26	129357.06	33560.1	24116.82	43667.82	77704.2
LPC (22:6)	15217.44	10190.04	11148.48	17057.88	20588.82	47351.64	20774.04	16505.16	91501.62	174709.5	35615.16	16910.88	23693.46	57406.44
LPC (o-16:0)		6350.4		7176.54	14223.72	70465.92	10122.42		12665.52	14899.92		16558.08	29426.46	15511.44
LPC (p-16:0) or LPC (o-16:1)	11216.1	7826.28	6091.68	7644	9064.02	26574.66	7743.96	7032.48	10451.7	16552.2	10392.9	6850.2	9484.44	11351.34
PC (30:1)	8134.98	8217.3	7485.24	12359.76	12774.3		7932.12	6826.68	9043.44	7194.18	25004.7	27236.16	10219.44	9446.22
PC (31:0)	93686.04	80873.52	82328.82	69048.84	121489.62	97531.56	88970.28	86103.78	137577.3	80282.58	186548.88	259954.8	131547.36	118602.54
PC (32:0)	4618872.3	4683458.22	4562500.74	3550599.78	5594085	2673947.64	4871188.98	2565837.96	3940229.16	2674465.08	5606174.28	7128479.82	5761074.06	3681879.6
PC (32:1)	986910.96	928472.58	814626.96	1087897.02	1107562.68	298436.46	845635.14	492144.24	795499.32	577742.34	1926505.56	1733603.34	1066820.16	681630.18
PC (32:2)	153368.04	111029.1	110685.12	212367.96	160050.66	40530.84	111852.3	85333.5	146664.84	103135.2	276398.22	286944	138359.34	102885.3
PC (33:1)	162776.04	158145.54	138770.94	166301.1	174530.16	79853.34	148061.34	174774.18	230413.68	154317.66	401995.02	362525.52	177990.54	203439.18
PC (33:2)	303281.58	256585.56	194960.22	283651.2	233300.76	93374.4	198229.5	223501.74	360617.46	204341.76	514979.22	684026.28	223610.52	237122.76
PC (34:0)	1117279.38	1130826.9	1019292.12	796654.74	1305177.72	491841.42	1139667.48	400795.5	676020.66	383652.36	1081111.5	1417556.28	1344209.16	582031.8
PC (34:2) A	35663758.2	36845167.8	32748480.66	33335092.98	30997175.58	8088313.38	32737029.36	14371131.6	22354210.62	18518971.8	24538701.18	26456962.98	31030024.2	15807400.98
PC (34:2) B	446571.3	66035.34	414454.74	400169.28	347140.5	43329.72	257911.5	148590.54	253181.04	221058.6	213267.6	287049.84	344518.02	100280.46
PC (34:3)	797986.56	634281.48	603658.44	908177.76	697079.88	91736.82	600780.18	191626.26	471243.78	383284.86	747462.66	640032.12	741726.72	259804.86
PC (34:4)	46843.02	37188.06	41489.28	47777.94	55227.9	18910.08	39493.02	25363.38	53228.7	37132.2	68149.2	80700.06	50576.82	32034.24
PC (35:1)	209904.24	217171.92	200337.48	185822.7	229625.76	74079.18	199043.88	176749.86	226462.32	155085	410603.34	347854.92	225036.42	199123.26
PC (35:2)	1872768.24	2126375.58	1595582.1	1750437.78	1586826.78	292591.74	1744548.96	847316.82	1137030.3	684964.14	1471490.58	1667168.16	1411105.92	896344.26
PC (35:3)	204200.64	207455.22	148187.76	223290.06	155784.72	28206.36	165804.24	97890.24	136765.86	93353.82	200675.58	189350.7	148431.78	96734.82
PC (35:4)	76545.84	65885.4	60340.56	52573.08	69316.38	26313	56406.84	44676.24	89740.56	52408.44	98422.38	147088.2	73508.82	49506.66
PC (36:1)	6895276.08	7634921.28	6459750.36	5559001.98	6733117.44	1316140.98	6469064.28	3146687.88	4298338.8	2817293.22	8007663.3	6255358.62	6352993.08	3874158.54
PC (36:2)	32046000	34398000	30576000	30576000	28987635.6	5475306.06	31164000	13306651.68	16544688.3	12360791.94	21296266.32	22922130.42	27945143.94	13625335.92
PC (36:3) B	9472821.12	10145825.34	8045154.18	9619018.5	8370047.7	1674765.12	8635588.5	5703735.24	6900271.14	4978904.7	10360768.74	9515039.52	7831039.86	6195062.16
PC (36:4) A	15797416.74	15435420.42	14309770.86	11433054.36	14370473.04	4110734.46	14555401.98	6131443.5	12560144.52	10009870.92	11608922.22	14060526.48	15500747.22	8063655.6
PC (36:4) B	10928541.54	10414012.14	9926739.48	9553435.92	10924754.82	4278311.52	10160757.6	7056952.56	9777269.88	8240996.4	14263645.2	12380381.16	11161160.22	8654422.14
PC (36:5)	4907395.08	5104936.62	3579432.36	3968794.2	3386406.66	377031.48	3480618.96	1057891.38	2321247.6	1539930.84	3015602.1	3121309.8	3374520.24	1095426.36
PC (36:6)	27233.22	21329.7	20421.24	25945.5	28738.5	12853.68	20203.68	14620.62	31384.5	26221.86	29761.62	42847.56	23311.26	18160.38
PC (37:2)	679022.4	705802.86	561495.9	623000.7	499732.38	35235.9	631885.38	102241.44	148649.34	82381.74	249150.3	331049.88	465463.74	109541.46
PC (37:3)	91322.28	94197.6	73694.04	89161.38	68290.32	40469.1	87073.98	84445.62	46698.96	79165.38	134469.72	77395.5	93486.12	42747.6
PC (37:4)	449714.16	447215.16	412208.58	306665.52	433382.46	88358.76	436490.04	186854.64	315079.8	184499.7	301214.76	517986.84	437730.72	215005.14
PC (37:6)	27521.34	21159.18	19603.92	20371.26	25419.24	13353.48	20318.34	20738.76	34739.04	24666.6	45869.88	55210.26	24528.42	24002.16
PC (38:2)	383017.32	446250.84	364501.2	343098	365006.88	72018.24	425773.74	152929.98	229913.88	150145.8	498000.72	386201.34	334339.74	214396.56
PC (38:3)	2618084.7	2382393.72	2550056.04	1985026.26	2793617.4	568340.22	2445968.28	1713270.3	2229225.6	1491785.4	3469152.96	3213587.58	2593720.92	1860652.5
PC (38:4) A	689959.2	721620.06	619152.24	247986.06	729205.26	206014.62	317076.06	736031.94	828268.56	533039.64	1509481.26	1241541.42	679904.4	780020.22
PC (38:4) B	11676010.08	12386155.32	11594131.08	8807046.36	11539838.1	2821291.62	12083714.58	4932767.28	7556355.66	5593308.84	7432634.58	10136561.4	12023227.02	5902629.18
PC (38:5)	2960286	3363586.38	2717327.34	2645570.76	2500243.62	612496.08	2570880.06	1214857.98	1607474.4	1295217	2208566.22	2422307.16	2259742.8	1426176.36
PC (38:6) A	7283558.94	7034767.32	6359378.76	5654613.72	7114400.16	2132808.3	6728689.8	3200360.52	6588004.92	6149883.18	6720610.68	7075321.68	6981612.12	4204614.54
PC (38:7)	289263.66	256318.02	212129.82	277947.6	238916.16	23758.14	225018.78	90919.5	124697.16	73893.96	205653	207437.58	208895.82	83496
PC (40:4)	331017.54	342168.96	298815.72	143657.22	413499.24	99230.88	368214.42	157169.46	316811.46	140185.08	466010.58	471043.86	381650.22	231863.1
PC (40:5) A	435393.42	443075.64	414942.78	347737.32	603017.52	145244.82	471499.56	246604.26	413455.14	265643.7	533445.36	507208.8	472466.82	303143.4
PC (40:6)	4183534.74	4666588.5	4173038.94	3156716.22	4260221.7	766249.26	4589634	1599792.18	2693680.92	1725447.78	3529675.8	3740162.16	3925649.7	1859050.2
PC (40:7)	1477135.38	1643648.16	1415512.98	1203227.34	1541280.3	379001.28	1514676.24	990641.82	1168652.94	836444.7	1931544.72	1761786.18	1518121.92	1090528.32
PC (40:8)	564491.76	536764.62	532395.78	483268.38	651427.56	96840.66	662975.88	305245.5	376196.52	227688.3	667715.16	664722.24	589666.98	315479.64
PC (42:5)	32481.12	29799.84	27006.84	25666.2	35474.04	19354.02	28391.58	38258.22	44044.14	24510.78	109970.7	86465.4	30334.92	49750.68
PC (42:6)	24125.64	21315	20421.24	13929.72	31164	10216.5	24166.8	24469.62	32610.48	18848.34	57865.08	47122.32	26368.86	28712.04
PC (42:7)	24560.76	24840.06	27783	20615.28	28397.46	9087.54	31272.78	23299.5	26595.24	19612.74	44982	41342.28	27603.66	28312.2
PC (o-32:0)	185596.32	185390.52	190559.04	162141	222893.16	89005.56	197318.1	86147.88	117094.32	69739.74	163502.22	293270.88	277777.08	122680.32
PC (o-34:0)	97505.1	98146.02	87144.54	78442.14	105440.16	36270.78	105989.94	39210.78	52190.88	30505.44	91830.9	111767.04	130803.54	48118.98
PC (p-34:1) or PC (o-34:2) A	100027.62	119134.68	91213.5	102226.74	103796.7	29032.5	108691.8	40145.7	59811.36	37355.64	85895.04	128269.26	109588.5	53202.24
PC (p-36:1) or PC (o-36:2)	91919.1	91619.22	80708.88	76831.02	85624.56	20482.98	90640.2	63221.76	72723.84	42209.58	149531.34	160688.64	83119.68	61234.32
PC (p-38:3) or PC (o-38:4)	290633.7	280176.12	233979.9	204976.8	266655.06	31913.7	280093.8	53252.22	80717.7	41750.94	118890.66	222969.6	328024.62	66926.16
PC (p-40:3) or PC (o-40:4)	93394.98	85474.62	77151.48	61839.96	78903.72	14932.26	90028.68	22632.12	31334.52	16834.44	50359.26	64297.8	100036.44	27897.66
PC (p-40:5) or PC (o-40:6)	65353.26	58847.04	53534.46	47583.9	58482.48	17537.1	60243.54	27389.04	37023.42	22176.42	46446.12	65664.9	73450.02	32334.12
PC (p-42:3) or PC (o-42:4)	44032.38	40245.66	37179.24	29341.2	38975.58	9008.16	42800.52	15870.12	17557.68	9787.26	30349.62	27300.84	49289.1	14441.28
PC (p-42:4) or PC (o-42:5)	28376.88	27136.2	26071.92	20424.18	28894.32	7861.56	30978.78	14117.88	19451.04	10101.84	30102.66	37537.92	35247.66	15326.22
PC (p-44:4) or PC (o-44:5)	20712.3	17049.06	18028.08	13365.24	22129.38	6567.96	21362.04	12271.56	16211.16	8978.76	28532.7	24763.62	26774.58	13500.48
PE (34:2)	1779329.16	2215351.74	1663093.32	1832158.02	1479990.12	102464.88	1654288.02	264958.68	359376.78	227808.84	677099.64	701395.8	1319933.58	286179.6
PE (36:1)	777230.16	987501.9	650657.28	740433.12	684287.94	154211.82	763844.34	430971.66	505056.72	322391.58	1472569.56	988351.56	638947.26	537529.02
PE (38:4)	6246385.74	6617872.38	6107503.08	5247779.46	6106606.38	928860.66	6248414.34	1908254.04	2613074.94	1686219.36	3614227.26	4779757.92	5819680.02	2193554.58
PE (38:6)	1226485.68	1333231.2	1082740.26	931153.86	1102173.66	201448.8	1089587.52	306380.34	497112.84	284686.08	795422.88	937551.3	965401.92	384258
PE (p-36:2) or PE (o-36:3)	32154.78	46187.4	28409.22	33904.08	31172.82	6312.18	43297.38	17113.74	18078.06	10901.52	37605.54	32781	30870	15002.82
PE (p-36:4) or PE (o-36:5)	406334.46	426811.56	400830.78	276174.78	533621.76	193793.04	445218.9	230434.26	346046.82	214246.62	439050.78	593333.16	507041.22	344715
PE (p-38:4) or PE (o-38:5)	412667.22	476779.8	401427.6	272002.92	479014.2	79338.84	500479.14	111573	202454.28	103987.8	302858.22	383849.34	493493.7	154961.52
PE (p-38:5) or PE (o-38:6)	183564.78	165448.5	153788.46	125085.24	206840.76	115177.44	180263.16	109744.32	158748.24	98078.4	177587.76	211879.92	191238.18	142266.6
PE (p-40:5) or PE (o-40:6)	682618.02	567149.52	556518.48	467168.94	534465.54	118011.6	526421.7	193216.8	283980.48	137065.74	408983.4	594809.04	581376.18	185034.78
SM (d32:1)	69087.06	111969.9	58470.72	84804.3	50047.62	13703.34	84295.68	12300.96	17266.62	11959.92	40333.86	34148.1	48595.26	17234.28
SM (d33:1)	586721.1	935325.72	497727.3	705920.46	366809.1	49544.88	744293.34	45008.46	77833.56	41459.88	165301.5	165072.18	393463.14	61963.44
SM (d34:0)	1041039.3	663117	979055.28	910138.74	981521.94	157498.74	1032148.74	188207.04	230052.06	180321.96	848748.6	428604.96	978135.06	248559.36
SM (d34:1)	11053844.34	12421602.9	10497837.42	9894402.42	10550172.36	3803598.54	11133447.78	3389914.08	5310971.82	3232882.8	9217114.62	8502406.5	10473091.44	4724562.36
SM (d34:2)	68760.72	91201.74	64680	57238.86	77413.14	34230.42	86059.68	28403.34	49465.5	29502.9	110811.54	88770.36	81620.28	41818.56
SM (d36:0)	18933.6	19348.14	20985.72	16684.5	23505.3	12859.56	19442.22	12142.2	17537.1	11460.12	25116.42	25777.92	21462	15505.56
SM (d36:1)	926802.66	964596.36	903594.3	572470.92	1121689.38	491938.44	960518.58	427032.06	798994.98	456032.22	1216801.32	1143507.12	983609.34	633537.66
SM (d36:2)	118878.9	130130.28	125514.48	67699.38	151083.66	81449.76	130677.12	65641.38	136621.8	72979.62	217113.12	183820.56	139938.12	102473.7
SM (d38:1)	458325.42	470341.2	428025.78	259943.04	525433.86	159668.46	483685.86	162596.7	303790.2	165669	557359.32	539945.7	456931.86	222496.26
SM (d39:1)	40674.9	43529.64	36479.52	35973.84	38775.66	11898.18	44238.18	12930.12	20785.8	11868.78	41398.14	39196.08	37990.68	16513.98
SM (d40:0)	17504.76	20921.04	17545.92	19189.38	21444.36	8187.9	19259.94	9740.22	13097.7	8531.88	25039.98	21212.1	18698.4	11624.76
SM (d40:1)	580894.02	586918.08	553490.28	400160.46	729264.06	246001.56	645850.38	239871.66	423265.92	225427.44	812983.5	749303.1	667485.84	346814.16
SM (d41:1)	157172.4	166883.22	146600.16	127766.52	163034.76	50350.44	167177.22	49680.12	83951.7	43229.76	180701.22	167527.08	161841.12	67384.8
SM (d41:2)	28859.04	33898.2	26198.34	26330.64	28118.16	9525.6	33345.48	9675.54	14767.62	9757.86	33174.96	30193.8	29882.16	14567.7
SM (d42:1)	346220.28	346299.66	324114.42	224077.98	426455.82	178737.3	373909.2	182994.42	315341.46	158942.28	647235.12	532040.04	406169.82	268254.42
SM (d42:2)	824102.58	873382.86	792497.58	522470.34	1083125.4	426397.02	995822.1	375849.6	652377.18	354569.88	1240430.1	1295281.68	1083954.48	581905.38
TG (42:1)	11707.08	11801.16	12233.34	10725.12	14479.5		17807.58	5947.62	11116.14		66934.98	23725.8	11530.68	10175.34
TG (46:0)	23790.48	17096.1	91501.62	98266.56	293932.38	24798.9	284198.04	93133.32	344876.7	78833.16	555030.84	518657.16	100997.82	322553.28
TG (46:1)	7082.46	7173.6	48371.82	19462.8	222352.2	10760.4	223713.42	96379.08	342092.52	37279.2	3320427.18	1157092.86	40866	299985.84
TG (46:2)					77710.08		66011.82	28168.14	92589.42		1626749.04	421478.4		78871.38
TG (48:0) A	71982.96	49112.7	70110.18	144671.52	92607.06	58594.2	94641.54	58817.64	100700.88	120692.88	28462.14	33707.1	91725.06	94515.12
TG (48:0) B	217980.42	143113.32	555230.76	848360.52	1070953.8	220861.62	1013997.18	478020.48	1430089.5	903470.82	669514.44	589475.88	678672.54	1080432.36
TG (48:1)	131547.36	117785.22	753207.42	382802.7	1989827.28	116862.06	1987883.94	858776.94	2600556.42	563583.3	10469710.44	5658097.62	694301.58	2375399.46
TG (48:2)	77119.14	80508.96	383467.14	157019.52	1338893.64	56956.62	1132846.68	513847.32	1723866.06	275148.72	10855685.4	5251472.1	311989.86	1585603.74
TG (48:3)	15676.08	16061.22	68305.02	29576.4	217245.42	6247.5	182920.92	93247.98	268668.96	48842.22	3805853.52	1289827.98	50873.76	245510.58
TG (49:0)	13691.58	8337.84	13732.74	27259.68	32886.84	19730.34	25245.78	17384.22	65106.3	36576.54	32925.06	49850.64	16855.02	54678.12
TG (49:1)	28512.12	23234.82	46607.82	37002.84	142875.18	29652.84	113040.06	62083.98	239451.24	66223.5	1258690.44	743252.58	45393.6	180395.46
TG (49:2)	28841.4	27286.14	39869.34	24328.5	112199.22	29029.56	86424.24	65170.98	207975.6	76625.22	1321538.82	769500.9	34656.72	166994.94
TG (50:0)	68084.52	43529.64	72194.64	119784.42	81770.22	160012.44	79053.66	102129.72	181224.54	225239.28	59564.4	18889.5	89622.96	135063.6
TG (50:1)	969926.58	846558.3	3081049.44	2129262.66	6412892.64	793473.66	5886809.04	3006596.88	7185630.48	2642545.5	15679375.74	11164367.76	3088031.94	6383818.98
TG (50:2)	1243393.62	1237575.36	3304648.2	1706096.7	7275850.26	904823.22	6574054.62	3847592.7	8925343.14	3629235.96	22194844.98	15428138.04	2927572.62	7927465.98
TG (50:3)	201101.88	212200.38	889999.74	344853.18	2923862.34	134328.6	2295105.12	1429589.7	3968088.6	761139.54	19528644.24	12015621.24	651154.14	3621868.32
TG (50:4)	61731.18	60184.74	131773.74	70577.64	476973.84	30614.22	345076.62	197644.44	548818.62	106480.92	6670560.12	2783780.16	97793.22	519245.16
TG (50:5)	8252.58	7158.9	12386.22	9149.28	35894.46		28929.6	11145.54	28900.2	7291.2	524425.44	171966.48	9172.8	27359.64
TG (51:1)	20926.92	17287.2	40548.48	45561.18	162925.98	23743.44	118317.36	47895.54	214581.78	48051.36	1464158.22	841233.96	42044.94	165160.38
TG (51:2)	56012.88	48880.44	107809.8	64133.16	370054.86	58832.34	290466.12	161382.48	539404.74	140405.58	3482150.7	1967245.14	97510.98	452580.66
TG (51:3)	38963.82	37267.44	64762.32	34421.52	217862.82	33454.26	159900.72	107101.26	330406.02	89008.5	2824131.66	1556139.06	51570.54	293088.6
TG (51:4)	19512.78	17957.52	21244.44	14894.04	52373.16	25025.28	40128.06	32292.96	87176.88	39886.98	708434.16	369455.1	16143.54	88973.22
TG (52:0)	102359.04	62886.6	214228.98	306239.22	341160.54	1886036.46	344976.66	1296193.08	1810987.08	2475397.68	112255.08	112213.92	197329.86	2737836.78
TG (52:1)	537105.66	420090.72	1753269	1439162.34	4654193.46	1266169.8	4268771.22	1567481.58	5235260.94	1866638.34	10937305.68	8442212.94	1913522.52	4527311.88
TG (52:2)	1713120.36	1646835.12	5587875.72	2686419.12	11377938.18	2054774.82	10096495.08	6319306.56	12563272.68	5133648.66	26387308.5	20770179.78	5080722.78	11515744.8
TG (52:3)	2173786.02	2370610.2	6025530	2834057.1	13297467.12	2127231.12	11029274.76	7811756.4	14728532.7	5820026.94	31348302.72	25502797.74	4856180.28	13976492.46
TG (52:4)	1681447.74	2166832.92	2512203.54	1229064.06	6522595.8	1898657.88	4906842.36	3304992.18	8781512.46	3360584.64	25937473.8	18847807.86	1806971.04	8698969.02
TG (52:5)	150351.6	141017.1	185819.76	137450.88	589422.96	203124.6	409974.18	292259.52	936904.5	290718.96	8254452.78	3810957.36	132105.96	958672.26
TG (52:6)	28814.94	24278.52	27994.68	24019.8	70683.48	7479.36	50667.96	31093.44	74681.88	25295.76	1039140.06	412264.44	21238.56	70039.62
TG (53:1)	24678.36	20221.32	38419.92	48213.06	126928.62	32334.12	108380.16	43203.3	134134.56	44599.8	655173.12	399934.08	47313.42	117844.02
TG (53:2)	43867.74	43026.9	100430.4	60252.36	374635.38	46937.1	288231.72	136654.14	430639.44	95350.08	3097722.18	1842921.36	92365.98	391040.58
TG (53:3)	50512.14	54913.32	112634.34	58626.54	444863.16	41797.98	325440.36	174124.44	539501.76	105154.98	4295063.64	2444809.92	93083.34	502316.64
TG (53:4)	21464.94	24701.88	34136.34	19533.36	116394.6	18551.4	85309.98	52085.04	174588.96	38225.88	2101347.36	1082590.32	25901.4	154350
TG (53:5)	7708.68	8017.38	8408.4	6626.76	23740.5	7743.96	17704.68	12683.16	38902.08	11748.24	507561.6	201322.38	7117.74	36864.66
TG (54:1)	178443.3	148437.66	480831.12	474948.18	1537922.82	351377.04	1408015.98	381159.24	1550941.14	551117.7	3999023.28	2991614.64	582822.66	1368596.46
TG (54:2)	392992.74	376043.64	1928513.58	842442.3	5556097.26	491550.36	4902820.44	1872965.22	5379835.44	1333043.04	15451702.14	11579004.78	1861640.34	4769103.36
TG (54:3)	1502781	1793479.38	4516757.28	1993575.78	9712713.36	1136365.86	8576476.86	5257249.2	10328184.72	3390243.36	22314852.84	18844356.3	3843265.02	9707988.78
TG (54:4)	1938968.22	2286058.74	4319039.34	2088220.26	9717014.58	1555407	8179659.18	6033817.86	10976851.62	3875969.58	24695761.86	21112145.88	3177731.34	10845901.08
TG (54:5)	1354625.58	1383972.66	1896414.66	1197050.4	5846375.22	1957610.76	4113874.38	3220525.98	7969472.7	2843394.54	22436004.36	17712112.32	1284253.74	8304767.94
TG (54:6)	524501.88	496518.96	442464.12	350336.28	1211653.38	1764435.12	818466.6	798527.52	2874679.08	1544026.26	12538914.78	7962837.12	275430.96	4236243.06
TG (54:7)	85756.86	63689.22	50432.76	66987.9	131191.62	286441.26	88432.26	96967.08	381600.24	225792	1847187.3	851544.54	33554.22	580720.56
TG (55:3)	8567.16	8199.66	27283.2	13509.3	138638.64	6300.42	99357.3	45437.7	153362.16	20832.84	1696600.5	941876.04	23352.42	142113.72
TG (56:1)	77048.58	59852.52	103776.12	187669.02	288969.66	68934.18	262186.26	88291.14	250485.06	101041.92	923942.04	709768.92	126534.66	247592.1
TG (56:2)	64059.66	54631.08	177893.52	124811.82	659015.7	71253.84	588855.54	175829.64	607118.82	149722.44	3148681.2	1998906	171125.64	582258.18
TG (56:3)	61454.82	62236.86	298651.08	135325.26	1044082.2	64724.1	962820.6	367114.86	921434.22	201292.98	3431847.3	2521144.08	249285.54	991106.34
TG (56:4)	103141.08	96308.52	321894.72	164290.14	991097.52	78897.84	871545.36	481689.6	894862.5	253430.94	2643221.7	2067643.2	258975.78	992085.36
TG (56:5)	99965.88	127525.44	177343.74	94550.4	576983.82	81767.28	455085.54	276918.6	642010.74	196415.52	2137812.18	1759084.32	128857.26	685072.92
TG (56:6)	263841.48	418838.28	292274.22	116829.72	369869.64	95061.96	358042.02	169661.52	527756.46	262436.16	2540580.42	1490688.78	195833.4	391481.58
TG (56:7)	95500.02	127557.78	51852.78	72344.58	96617.22	32619.3	74423.16	60863.88	180418.98	106063.44	251822.76	271982.34	87976.56	116606.28
TG (56:8)	334142.76	517457.64	384466.74	158507.16	512418.48	143327.94	426476.4	276586.38	1017260.58	505768.2	2702218.68	2093253.54	234856.02	519262.8
TG (58:1)	42741.72	36855.84	50529.78	80132.64	114442.44	36306.06	107092.44	44270.52	118023.36	51646.98	406455	344656.2	58617.72	124215
TG (58:10)	167809.32	215810.7	140887.74	67114.32	154117.74	68096.28	144439.26	127493.1	334792.5	194628	729843.24	739856.88	83522.46	229134.78
TG (58:2)	57923.88	51864.54	89672.94	103964.28	294802.62	66452.82	257641.02	110491.08	285718.02	102385.5	1544790.66	1051814.4	102176.76	308529.48
TG (58:3)	31978.38	30955.26	54022.5	46360.86	215940.06	36620.64	168100.38	77765.94	218541.96	69648.6	1388476.74	870930.9	55504.26	233794.68
TG (58:4)	7144.2	6944.28	22585.08	13741.56	91466.34	8049.72	73999.8	32636.94	81755.52	20821.08	401977.38	283033.8	18786.6	90252.12
TG (58:6)	27553.68	40089.84	37073.4	22173.48	87879.54	19174.68	73103.1	41165.88	102829.44	38981.46	456973.02	311190.18	29541.12	85530.48
TG (58:8) A	118640.76	193078.62	145353.6	75243.42	155234.94	63642.18	163466.94	132067.74	213685.08	129163.02	231433.86	292297.74	96581.94	162349.74
TG (58:8) B	35715.12	51023.7	35277.06	19201.14	59279.22	18313.26	49489.02	187457.34	125470.38	49935.9	539836.92	385163.52	21356.16	81064.62
TG (58:9)	215687.22	317434.74	220153.08	129798.06	341189.94	108935.82	288499.26	259443.24	640487.82	273023.1	2197873.44	1709953.98	138462.24	438471.6
TG (60:2)	33245.52	29694	47983.74	51741.06	129968.58	38181.78	123953.34	59584.98	145812.24	59132.22	653767.8	501705.12	49195.02	170052.54
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Identifier	m/z	RT	Adduct	InChI Key	Molecular Formula
Acylcarnitine C16:0	1.81_400.34	400.3424	1.806	[M+H]+	XOMRRQXKHMYMOC-OAQYLSRUSA-N	C23H45NO4
Acylcarnitine C18:0	2.61_428.37	428.3734	2.607	[M+H]+	FNPHNLNTJNMAEE-HSZRJFAPSA-N	C25H49NO4
Acylcarnitine C18:1	1.97_426.36	426.3576	1.97	[M+H]+	IPOLTUVFXFHAHI-SEYXRHQNSA-N	C25H47NO4
Acylcarnitine C18:2	1.52_424.34	424.3423	1.519	[M+H]+	MJLXQSQYKZWZCB-DQFWFXSYSA-N	C25H45NO4
Ceramide (d40:1)	7.94_644.59	644.5949	7.943	[M+Na]+	KEPQASGDXIEOIL-GLQCRSEXSA-N	C40H79NO3
Ceramide (d42:1)	8.57_672.63_8.58_650.64	672.6251_650.6440	8.572	[M+Na]+_[M+H]+	ZJVVOYPTFQEGPH-AUTSUKAISA-N	C42H83NO3
Ceramide (d42:2)	7.91_670.61	670.6101	7.913	[M+Na]+	VJSBNBBOSZJDKB-KPEYJIHVSA-N	C42H81NO3
DG (34:1)	7.16_617.51_7.17_612.56	617.5118_612.5560	7.166	[M+Na]+_[M+NH4]+	YEJYLHKQOBOSCP-OZKTZCCCSA-N	C37H70O5
DG (34:2)	6.62_615.50_6.62_610.54	615.4962_610.5411	6.621	[M+Na]+_[M+NH4]+	SVXWJFFKLMLOHO-YAIZGCQRSA-N	C37H68O5
DG (36:1)	7.83_640.59_7.85_645.54	640.5874_645.5446	7.8405	[M+NH4]+	SAEPUUXWQQNLGN-LVVMQYBKSA-N	C39H74O5
DG (36:3)	6.67_641.51_6.68_636.56	641.5117_636.5561	6.6745	[M+Na]+_[M+NH4]+	BLZVZPYMHLXLHG-JOBMVARSSA-N	C41H68O5
DG (36:4)	6.14_634.54_6.14_639.50	634.5403_639.4959	6.1375	[M+NH4]+_[M+Na]+	MQGBAQLIFKSMEM-ZHARMHCNSA-N	C39H68O5
DG (38:5)	6.53_665.51	665.5108	6.533	[M+Na]+	GRGDLDNREYVILP-CNWVQWJYSA-N	C41H70O5
DG (38:6)	6.26_658.54	658.54	6.26	[M+NH4]+	BXVYQJJBMVVALQ-VVSMSMGFSA-N	C41H68O5
DG (40:6)	6.96_691.53_6.96_686.57	691.5269_686.5719	6.958	[M+Na]+_[M+NH4]+	LBDXVTOFXXDOGH-KXYFHQNYSA-N	C43H72O5
DG (40:7)	6.31_689.51_6.31_684.56	689.5113_684.5559	6.3085	[M+Na]+_[M+NH4]+	ZILMKERHGSKQBG-PNCFOYGISA-N	C43H70O5
Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0)	4.95_862.62	862.6189	4.953	[M+H]+	HLIJNIKSBCIDGO-QKLMXXKVSA-N	C46H87NO13
LPC (16:0)	1.63_496.34_1.64_518.32	496.3401_518.3217	1.635	[M+H]+	ASWBNKHCZGQVJV-UHFFFAOYSA-N	C24H50NO7P
LPC (18:0)	2.43_524.37_2.43_546.35	524.3714_546.3532	2.43	[M+H]+	IHNKQIMGVNPMTC-RUZDIDTESA-N	C26H54NO7P
LPC (18:1)	1.79_522.36	522.3555	1.79	[M+H]+	YAMUFBLWGFFICM-PTGWMXDISA-N	C26H52NO7P
LPC (18:2)	1.30_520.34_1.29_542.32	520.3396_542.3220	1.296	[M+H]+	SPJFYYJXNPEZDW-FTJOPAKQSA-N	C26H50NO7P
LPC (20:0)	3.15_552.40	552.4028	3.151	[M+H]+	UATOAILWGVYRQS-HHHXNRCGSA-N	C28H58NO7P
LPC (20:4)	1.26_544.34	544.3396	1.256	[M+H]+	LAXQYRRMGGEGOH-JXRLJXCWSA-N	C28H50NO7P
LPC (22:6)	1.21_568.34	568.3397	1.21	[M+H]+	LSOWKZULVQWMLY-APPDJCNMSA-N	C30H50NO7P
LPC (o-16:0)	1.91_482.36	482.3613	1.913	[M+H]+	VLBPIWYTPAXCFJ-XMMPIXPASA-N	C24H52NO6P
LPC (p-16:0) or LPC (o-16:1)	1.84_480.34	480.3417	1.837	[M+H]+	PLQWZMJRHVARFU-NFPSEPLVSA-N	C24H50NO6P
PC (30:1)	4.49_704.52	704.5237	4.491	[M+H]+	RHCWZMAZVBVICJ-IZNHTBNISA-N	C38H74NO8P
PC (31:0)	5.34_720.55	720.5541	5.341	[M+H]+	LLHISNQVRRYJGL-DIPNUNPCSA-N	C39H78NO8P
PC (32:0)	5.68_734.57_5.69_756.55	734.5705_756.5517	5.682	[M+H]+	KILNVBDSWZSGLL-KXQOOQHDSA-N	C40H80NO8P
PC (32:1)	5.09_732.55_5.10_754.54	732.5541_754.5362	5.097	[M+H]+	QIBZFHLFHCIUOT-NPBIGWJUSA-N	C40H78NO8P
PC (32:2)	4.62_730.54_4.62_752.52	730.5377_752.5198	4.619	[M+H]+	GPWHCUUIQMGELX-VHQDNGOZSA-N	C40H76NO8P
PC (33:1)	5.43_746.57	746.5691	5.428	[M+H]+	WUSDPFVBZAKNBL-IMZFPPOWSA-N	C41H80NO8P
PC (33:2)	4.93_744.55	744.5534	4.925	[M+H]+	SBNDHGBVMZMSNL-UESLNCBNSA-N	C41H78NO8P
PC (34:0)	6.35_762.60_6.36_784.58	762.6012_784.5823	6.3515	[M+H]+	PZNPLUBHRSSFHT-RRHRGVEJSA-N	C42H84NO8P
PC (34:2) A	5.25_758.57_5.25_780.55	758.5697_780.5528	5.2475	[M+H]+_[M+Na]+	JLPULHDHAOZNQI-ZTIMHPMXSA-N	C42H80NO8P
PC (34:2) B	5.38_780.56	780.5592	5.377	[M+Na]+	JLPULHDHAOZNQI-ZTIMHPMXSA-N	C42H80NO8P
PC (34:3)	4.82_756.55	756.5537	4.825	[M+H]+	SSQFWAKSSUYHFV-YVTPCJIFSA-N	C40H80NO8P
PC (34:4)	4.53_754.54	754.5378	4.528	[M+H]+	BXZPYXMUABUWBT-JAHIUHDMSA-N	C42H76NO8P
PC (35:1)	6.08_774.60	774.5998	6.081	[M+H]+	VATZLDBYQIOABD-HFWGUVFESA-N	C43H84NO8P
PC (35:2)	5.57_772.58	772.584	5.566	[M+H]+	LNGBVAOHJZCRIL-GPDPEMMZSA-N	C43H82NO8P
PC (35:3)	5.02_770.57	770.5681	5.02	[M+H]+	CWPIHLOOVWJHLK-HEQWELKFSA-N	C43H80NO8P
PC (35:4)	4.83_768.55	768.5532	4.834	[M+H]+	AWUXYTGHWWSMNI-WRMCHHCUSA-N	C43H78NO8P
PC (36:1)	6.42_788.62_6.42_810.60	788.6158_810.6001	6.4235	[M+H]+_[M+H]+	ATHVAWFAEPLPPQ-VRDBWYNSSA-N	C44H86NO8P
PC (36:2)	5.90_786.60	786.6017	5.901	[M+H]+	SNKAWJBJQDLSFF-NVKMUCNASA-N	C44H84NO8P
PC (36:3) B	5.32_784.58	784.5805	5.321	[M+H]+	BXRLDROZWDUSGM-ZRYFCQOPSA-N	C44H82NO8P
PC (36:4) A	5.14_804.55_5.14_782.57	804.5521_782.5682	5.1425	[M+H]+	VRXRAEQYIWJLSH-OCTHSLKYSA-N	C47H86NO8P
PC (36:4) B	5.74_760.58_5.74_782.57	760.5814_782.5684	5.7405	[M+H]+
PC (36:5)	4.74_780.55_4.74_802.54	780.5532_802.5363	4.7365	[M+H]+	SUZYROYNFNQALJ-MHEIZRSESA-N	C44H78NO8P
PC (36:6)	4.36_778.54	778.5381	4.364	[M+H]+	SPWBDEZMKCRQSX-NGPPOSSDSA-N	C44H76NO8P
PC (37:2)	6.24_800.61	800.6128	6.239	[M+H]+	MCZUABDVGPPWPM-HJTCUGKVSA-N	C45H86NO8P
PC (37:3)	5.68_798.59	798.5931	5.678	[M+H]+	OOYQEEUUQRMQKL-JUUDQZDJSA-N	C45H84NO8P
PC (37:4)	5.48_796.58	796.5801	5.478	[M+H]+	QRPUCJXFPYFTMB-FBFLODOBSA-N	C45H82NO8P
PC (37:6)	4.68_792.55	792.5543	4.676	[M+H]+	HRYWZKNWBVEPAC-VEAQLNOCSA-N	C45H78NO8P
PC (38:2)	6.53_814.63_6.51_836.61	814.6322_836.6136	6.5215	[M+H]+	KXXLFCAPKGRXBT-FMJYHZMHSA-N	C46H88NO8P
PC (38:3)	6.08_812.62	812.6151	6.078	[M+H]+	KJDCENXZHMAYTN-VHWCKNCUSA-N	C46H86NO8P
PC (38:4) A	5.45_810.59	810.5936	5.448	[M+H]+	PSVRFUPOQYJOOZ-QNPWAGBNSA-N	C46H84NO8P
PC (38:4) B	5.80_810.60_5.81_832.58	810.5983_832.5828	5.806	[M+H]+	PSVRFUPOQYJOOZ-QNPWAGBNSA-N	C46H84NO8P
PC (38:5)	5.28_808.58	808.5825	5.277	[M+H]+	STHWQCYHQJBDDB-SYONOARRSA-N	C46H82NO8P
PC (38:6) A	4.99_806.57_4.99_828.55	806.5680_828.5514	4.991	[M+H]+	PLZBTDKJYHXIEW-DZUXOTHRSA-N	C46H80NO8P
PC (38:7)	4.35_804.56	804.5556	4.352	[M+H]+	DLRNZUPJXRVWRW-FKZZUUMNSA-N	C46H78NO8P
PC (40:4)	6.27_838.63_6.27_860.61	838.6306_860.6137	6.272	[M+H]+	YVFBVKJWPMCQQG-NRICRUJBSA-N	C48H88NO8P
PC (40:5) A	5.78_836.61	836.6138	5.784	[M+H]+	UCKDHIBTSOLZAW-OMGITNNSSA-N	C48H86NO8P
PC (40:6)	5.61_834.60_5.59_856.58	834.5981_856.5821	5.604	[M+H]+	TYRTWVKQVGNGSZ-RGBTVBCDSA-N	C48H84NO8P
PC (40:7)	5.04_832.58_5.05_854.57	832.5837_854.5669	5.045	[M+H]+	BPUROMFCPFGBOT-ZEGPSQTJSA-N	C48H82NO8P
PC (40:8)	4.58_830.57_4.57_852.55	830.5685_852.5549	4.579	[M+H]+	GMBDNBJQWYLJGW-DKFCTBDHSA-N	C48H80NO8P
PC (42:5)	6.23_842.67_6.25_864.65	842.6689_864.6477	6.242	[M+H]+
PC (42:6)	6.03_862.63	862.6305	6.025	[M+H]+	DSVRMAGYENFTLY-GDDYDVMSSA-N	C50H88NO8P
PC (42:7)	5.66_860.61	860.6143	5.659	[M+H]+	FYVDGOCCFDKYOR-OEQCKVCZSA-N	C50H86NO8P
PC (o-32:0)	6.07_742.57_6.08_720.59	742.5695_720.5894	6.072	[M+H]+		C40H82NO7P
PC (o-34:0)	6.77_748.62	748.6207	6.774	[M+H]+		C42H86NO7P
PC (p-34:1) or PC (o-34:2) A	5.61_744.59	744.5853	5.608	[M+H]+		C42H82NO7P
PC (p-36:1) or PC (o-36:2)	6.30_772.61	772.6142	6.299	[M+H]+		C44H86NO7P
PC (p-38:3) or PC (o-38:4)	6.18_818.60_6.20_796.62	818.6025_796.618	6.1905	[M+H]+		C46H86NO7P
PC (p-40:3) or PC (o-40:4)	6.89_824.65	824.6535	6.893	[M+H]+		C48H90NO7P
PC (p-40:5) or PC (o-40:6)	6.00_820.62	820.6187	6.003	[M+H]+		C48H86NO7P
PC (p-42:3) or PC (o-42:4)	7.56_852.69	852.6852	7.565	[M+H]+		C50H94NO7P
PC (p-42:4) or PC (o-42:5)	6.86_850.67	850.6672	6.864	[M+H]+		C50H92NO7P
PC (p-44:4) or PC (o-44:5)	7.50_878.70	878.6985	7.503	[M+H]+		C52H96NO7P
PE (34:2)	5.42_716.52_5.42_738.50	716.5240_738.5047	5.424	[M+H]+	HBZNVZIRJWODIB-NHCUFCNUSA-N	C39H74NO8P
PE (36:1)	6.61_746.57_6.61_768.55	746.5700_768.5536	6.6145	[M+H]+	JQKOHRZNEOQNJE-ZZEZOPTASA-N	C41H80NO8P
PE (38:4)	5.98_768.56_5.98_790.55	768.5572_790.5453	5.977	[M+H]+_[M+Na]+	ANRKEHNWXKCXDB-BHFWLYLHSA-N	C43H78NO8P
PE (38:6)	5.13_764.53	764.5258	5.126	[M+H]+	LFGBKOUQHCWBQI-BZGLIJSBSA-N	C43H74NO8P
PE (p-36:2) or PE (o-36:3)	6.41_728.56	728.5582	6.413	[M+H]+		C41H78NO7P
PE (p-36:4) or PE (o-36:5)	5.61_724.53	724.5276	5.607	[M+H]+		C41H74NO7P
PE (p-38:4) or PE (o-38:5)	6.27_752.56	752.5584	6.274	[M+H]+		C43H78NO7P
PE (p-38:5) or PE (o-38:6)	5.60_750.54	750.5433	5.596	[M+H]+		C43H76NO7P
PE (p-40:5) or PE (o-40:6)	6.20_778.57	778.5731	6.197	[M+H]+		C45H80NO7P
SM (d32:1)	4.32_675.54	675.543	4.315	[M+H]+	KYICBZWZQPCUMO-PSALXKTOSA-N	C37H75N2O6P
SM (d33:1)	4.62_689.56_4.62_711.54	689.5588_711.5407	4.6235	[M+H]+	LQINJRUGTUOHGS-YPDYIYJKSA-N	C38H77N2O6P
SM (d34:0)	5.06_705.59	705.5867	5.058	[M+H]+	QHZIGNLCLJPLCU-QPPIDDCLSA-N	C39H81N2O6P
SM (d34:1)	4.94_703.57_4.94_725.56	703.5748_725.5569	4.9385	[M+H]+	RWKUXQNLWDTSLO-GWQJGLRPSA-N	C39H79N2O6P
SM (d34:2)	4.41_701.56	701.5587	4.413	[M+H]+	YLWSJLLZUHSIEA-CKSUKHGVSA-N	C39H77N2O6P
SM (d36:0)	5.86_733.62	733.6202	5.859	[M+H]+		C41H85N2O6P
SM (d36:1)	5.62_731.61_5.62_753.58	731.6060_753.5824	5.6195	[M+H]+	LKQLRGMMMAHREN-YJFXYUILSA-N	C41H83N2O6P
SM (d36:2)	5.05_729.59_5.07_751.57	729.5882_751.5709	5.0595	[M+H]+	NBEADXWAAWCCDG-QDDWGVBQSA-N	C41H81N2O6P
SM (d38:1)	6.32_759.64_6.33_781.61	759.6364_781.6095	6.325	[M+H]+	AADLTHQNYQJHQV-SVLGDMRNSA-N	C43H87N2O6P
SM (d39:1)	6.67_773.65	773.648	6.672	[M+H]+	YXSZOBWVQJIWNE-LUJNSPTCSA-N	C44H89N2O6P
SM (d40:0)	7.26_789.68	789.6811	7.263	[M+H]+		C45H93N2O6P
SM (d40:1)	7.02_787.67_7.02_809.65	787.6679_809.6455	7.0175	[M+H]+	FJJANLYCZUNFSE-QVMKKYBKSA-N	C45H91N2O6P
SM (d41:1)	7.35_801.68	801.6835	7.35	[M+H]+	SXZWBNWTCVLZJN-ZIHSGIAZSA-N	C46H93N2O6P
SM (d41:2)	6.66_799.67	799.6667	6.656	[M+H]+	JBDGKEXQKCCQFK-JWQIMADESA-N	C46H91N2O6P
SM (d42:1)	7.69_815.70_7.69_837.68	815.6996_837.6789	7.6905	[M+H]+	QEDPUVGSSDPBMD-XTAIVQBESA-N	C47H95N2O6P
SM (d42:2)	6.99_813.68_6.99_835.67	813.6842_835.6656	6.99	[M+H]+	DACOGJMBYLZYDH-GXJPFUDISA-N	C47H93N2O6P
TG (42:1)	9.21_743.62	743.6197	9.212	[M+Na]+	PMWOTNASJLOLJE-BNQAGZCGSA-N	C45H84O6
TG (46:0)	10.66_796.74	796.7393	10.659	[M+NH4]+	JWVXCFSNEOMSHH-UHFFFAOYSA-N	C49H94O6
TG (46:1)	10.21_799.68_10.22_794.72	799.6780_794.7226	10.2155	[M+Na]+_[M+NH4]+	RSDIQTNCDWUNDP-VHXPQNKSSA-N	C49H92O6
TG (46:2)	9.79_792.71	792.7079	9.795	[M+NH4]+	XUEMVUXNOCIHLG-MOFPORNTSA-N	C49H90O6
TG (48:0) A	11.08_829.73	829.7261	11.077	[M+Na]+	PVNIQBQSYATKKL-UHFFFAOYSA-N	C51H98O6
TG (48:0) B	11.23_824.77	824.7707	11.226	[M+NH4]+	PVNIQBQSYATKKL-UHFFFAOYSA-N	C51H98O6
TG (48:1)	10.65_827.71_10.67_822.76	827.7105_822.7559	10.661	[M+Na]+_[M+NH4]+	FEKLSEFRUGWUOS-DLOIZKPKSA-N	C51H96O6
TG (48:2)	10.26_825.69_10.27_820.74	825.6940_820.7387	10.265	[M+Na]+_[M+NH4]+	RUOVJPPUXXFZPC-YZEIBMOJSA-N	C51H94O6
TG (48:3)	9.83_823.68_9.83_818.72	823.6792_818.7236	9.83	[M+Na]+_[M+NH4]+	SKGWNZXOCSYJQL-BUTYCLJRSA-N	C51H92O6
TG (49:0)	11.26_838.79	838.7862	11.264	[M+NH4]+	TTWJTJMWHOYBPQ-ANFMRNGASA-N	C52H100O6
TG (49:1)	10.87_836.77_10.88_841.73	836.7714_841.7267	10.8795	[M+NH4]+_[M+Na]+	VYYGQDOPVVYUKW-UKFBYESTSA-N	C52H98O6
TG (49:2)	10.49_834.75_10.50_839.71	834.7542_839.7097	10.495	[M+NH4]+_[M+Na]+	QZYSUBAQYSVFNX-PSMULLBHSA-N	C52H96O6
TG (50:0)	11.57_857.76	857.7571	11.569	[M+Na]+	QRJMBNGGFSPTQP-UHFFFAOYSA-N	C53H102O6
TG (50:1)	11.06_855.74_11.08_850.79	855.7418_850.7864	11.069	[M+Na]+_[M+NH4]+	YHMDGPZOSGBQRH-YYSBDVFPSA-N	C53H100O6
TG (50:2)	10.69_853.73_10.71_848.77	853.7276_848.7716	10.699	[M+Na]+_[M+NH4]+	QEZWFCZNHWUARW-XQCAQTCHSA-N	C53H98O6
TG (50:3)	10.29_851.71_10.31_846.75	851.7101_846.7543	10.3015	[M+Na]+_[M+NH4]+	UFHNZOACKFBCOM-YXKNDSBASA-N	C53H96O6
TG (50:4)	9.90_844.74_9.90_849.69	844.7387_849.6945	9.8995	[M+NH4]+_[M+Na]+	PVMBAGXWHHZKFP-JMPJWMFJSA-N	C53H94O6
TG (50:5)	9.51_842.72	842.7229	9.509	[M+NH4]+	AFTBPUXZTDLRSP-UDQIKIEDSA-N	C53H92O6
TG (51:1)	11.27_864.80	864.8014	11.273	[M+NH4]+	OZAXLAGNPZMZAD-BOEMPQCLSA-N	C54H102O6
TG (51:2)	10.91_862.79_10.91_867.74	862.7865_867.7421	10.9085	[M+NH4]+_[M+Na]+	NSNSZGBCOIKUBU-SZOKBDNISA-N	C54H100O6
TG (51:3)	10.52_860.77_10.52_865.73	860.7698_865.7259	10.521	[M+NH4]+_[M+Na]+	ISSGPXMQOMAFMJ-DMGKHJLRSA-N	C54H98O6
TG (51:4)	10.13_858.75_10.16_863.71	858.7537_863.7133	10.146	[M+NH4]+_[M+Na]+	IIRQXNVLAXQEKB-KBEZCZBDSA-N	C54H96O6
TG (52:0)	11.82_880.83	880.8323	11.818	[M+NH4]+	SDNYRTVJOFMYIW-OIVUAWODSA-N	C55H106O6
TG (52:1)	11.46_883.77_11.47_878.82	883.7728_878.8172	11.465	[M+Na]+_[M+NH4]+	NPCZZYKITFKRQZ-RFBIWTDZSA-N	C55H104O6
TG (52:2)	11.09_881.76_11.10_876.80	881.7574_876.8012	11.0975	[M+Na]+_[M+NH4]+	JFISYPWOVQNHLS-NBHCHVEOSA-N	C55H102O6
TG (52:3)	10.73_879.74_10.73_874.79	879.7431_874.7863	10.729	[M+Na]+_[M+NH4]+	KGLAHZTWGPHKFF-FBSASISJSA-N	C55H100O6
TG (52:4)	10.35_877.73_10.36_872.77	877.7263_872.7697	10.356	[M+Na]+_[M+NH4]+	WHSWXEYWNPTUPW-HNJDVRDNSA-N	C55H98O6
TG (52:5)	9.98_875.71_9.99_870.75	875.7103_870.7539	9.9865	[M+Na]+_[M+NH4]+	CQZAAIKPSLHIBC-KDJOUNIJSA-N	C55H96O6
TG (52:6)	9.56_873.70_9.57_868.74	873.6955_868.7387	9.568	[M+Na]+_[M+NH4]+		C55H94O6
TG (53:1)	11.63_892.83_11.63_897.78	892.8321_897.7831	11.6335	[M+NH4]+_[M+Na]+	WWJIBIGWKGFVAQ-JNSYTQKUSA-N	C56H106O6
TG (53:2)	11.28_890.81_11.30_895.77	890.8123_895.7724	11.291	[M+NH4]+_[M+Na]+	RSINITWKVQRWSZ-RFVLVDBCSA-N	C56H104O6
TG (53:3)	10.93_888.80_10.93_893.76	888.8016_893.7573	10.93	[M+NH4]+_[M+Na]+	ZNQBEJJYVJSZLM-LEDQTTRKSA-N	C56H102O6
TG (53:4)	10.57_886.79	886.7854	10.567	[M+NH4]+	BMSDHYZLQWTKSQ-LSJAAEOESA-N	C56H100O6
TG (53:5)	10.19_884.77	884.7686	10.193	[M+NH4]+	QHYAATSKYBYSLG-BXDFBOBBSA-N	C56H98O6
TG (54:1)	11.80_906.85_11.80_911.80	906.8482_911.8046	11.8015	[M+NH4]+_[M+Na]+	YFFIQXNTTVSKJC-NZEOUKRFSA-N	C57H108O6
TG (54:2)	11.48_904.83_11.49_909.79	904.8323_909.7888	11.486	[M+NH4]+_[M+Na]+	RYNHWWNZNIGDAQ-WGSDILPMSA-N	C57H106O6
TG (54:3)	11.12_902.82_11.15_907.77	902.8161_907.7732	11.1375	[M+NH4]+_[M+Na]+	PHYFQTYBJUILEZ-IUPFWZBJSA-N	C57H104O6
TG (54:4)	10.77_900.80_10.78_905.76	900.7996_905.7581	10.776	[M+NH4]+_[M+Na]+	BRLGHZXETDWABO-NOFIOOQLSA-N	C57H102O6
TG (54:5)	10.39_898.78_10.39_903.74	898.7842_903.7411	10.3915	[M+NH4]+_[M+Na]+	VVEBTVMJPTZDHO-YQFZQLSNSA-N	C57H100O6
TG (54:6)	10.00_901.73_10.00_896.77	901.7258_896.7694	10.0015	[M+Na]+_[M+NH4]+	HBOQXIRUPVQLKX-BBWANDEASA-N	C57H98O6
TG (54:7)	9.62_894.75_9.64_899.71	894.7547_899.7143	9.6325	[M+NH4]+_[M+Na]+	GBDGUGNAHCFRDF-HCMATFEHSA-N	C57H96O6
TG (55:3)	11.31_916.83	916.8321	11.31	[M+NH4]+	AFJMFAQYZRZRJI-TYSGSQAUSA-N	C58H110O6
TG (56:1)	11.96_934.88_11.96_939.83	934.8792_939.8344	11.9645	[M+NH4]+_[M+Na]+	OCYFAHIHWCVZKS-FHSLLVMSSA-N	C59H112O6
TG (56:2)	11.80_932.86_11.80_937.82	932.8645_937.8209	11.8015	[M+NH4]+_[M+Na]+	PDEQUPGHMOMBFC-FYEHETCMSA-N	C59H110O6
TG (56:3)	11.48_930.85_11.50_935.81	930.8479_935.8054	11.491	[M+NH4]+_[M+Na]+	QXMHHXQBBKDSSL-BAQZNRHJSA-N	C59H108O6
TG (56:4)	11.17_933.79_11.14_928.83	933.7908_928.8278	11.154	[M+Na]+_[M+NH4]+	YONCDTJKIZDSKQ-IYASBODOSA-N	C59H106O7
TG (56:5)	10.88_931.78_10.81_926.81	931.7804_926.809	10.847	[M+Na]+_[M+NH4]+	YONCDTJKIZDSKQ-IYASBODOSA-N	C59H106O7
TG (56:6)	10.63_929.76_10.67_924.80	929.7572_924.7986	10.6485	[M+Na]+_[M+NH4]+	YONCDTJKIZDSKQ-IYASBODOSA-N	C59H106O7
TG (56:7)	10.29_927.74	927.7413	10.285	[M+Na]+	DODZUDCYRVWEOJ-GKZBLMSTSA-N	C59H100O6
TG (56:8)	10.04_920.77_10.05_925.73	920.7687_925.7288	10.0415	[M+NH4]+_[M+Na]+	UBGUHMDKBGQUND-VPFWBQFRSA-N	C59H98O6
TG (58:1)	12.06_967.87_12.07_962.91	967.8670_962.9102	12.064	[M+Na]+_[M+NH4]+	OWZMHFAFGQCCNI-FBXRAONGSA-N	C61H116O6
TG (58:10)	9.66_944.77_9.66_949.73	944.7703_949.7268	9.6615	[M+NH4]+_[M+Na]+		C61H98O6
TG (58:2)	11.97_960.89_11.97_965.85	960.8933_965.8507	11.968	[M+NH4]+_[M+Na]+	GXWBCAVCOMAOHT-VMCJOIRWSA-N	C61H114O6
TG (58:3)	11.81_958.88_11.82_963.84	958.8806_963.8371	11.8175	[M+NH4]+_[M+Na]+	RFMSTHTUAZETPD-JJPHLYBUSA-N	C61H112O6
TG (58:4)	11.49_956.86	956.8634	11.492	[M+NH4]+	CCKRHDUCFMOBKX-AAINFQTBSA-N	C61H110O6
TG (58:6)	10.91_957.79_10.86_952.83	957.7923_952.827	10.882	[M+Na]+_[M+NH4]+	YONCDTJKIZDSKQ-IYASBODOSA-N	C59H106O7
TG (58:8) A	10.48_953.76	953.7575	10.481	[M+Na]+	KWIGMCRWEINBIR-HUPVKWKYSA-N	C61H102O6
TG (58:8) B	10.12_948.79	948.7935	10.116	[M+NH4]+	KWIGMCRWEINBIR-HUPVKWKYSA-N	C61H102O6
TG (58:9)	10.06_946.79_10.07_951.74	946.7851_951.7438	10.0645	[M+NH4]+_[M+Na]+	RVXFSLZMZOFGEQ-SWIIBWKZSA-N	C61H100O6
TG (60:2)	12.07_988.93_12.07_993.88	988.9274_993.8828	12.0725	[M+NH4]+_[M+Na]+	QPNVLDQSHXVPMG-JMYPUKFOSA-N	C63H118O6
METABOLITES_END
#END