#METABOLOMICS WORKBENCH ofiehn_20130116_9073821_mwtab.txt DATATRACK_ID:35 STUDY_ID:ST000003 ANALYSIS_ID:AN000003 PROJECT_ID:PR000003
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic analysis of mouse embryonic fibroblasts, embryonic stem cells, and
PR:PROJECT_TITLE                 	pluripotent stem cells
PR:PROJECT_TYPE                  	MS study
PR:PROJECT_SUMMARY               	-
PR:INSTITUTE                     	University of California, Davis
PR:DEPARTMENT                    	Genome Center
PR:LABORATORY                    	Fiehn Laboratory
PR:LAST_NAME                     	Fiehn
PR:FIRST_NAME                    	Oliver
PR:ADDRESS                       	451 Health Sci Drive, Davis, CA 95616
PR:EMAIL                         	ofiehn@ucdavis.edu
PR:PHONE                         	530-754-8258
PR:FUNDING_SOURCE                	California Institute for Regenerative Medicine grant RN2-00922, National
PR:FUNDING_SOURCE                	of Health grant 1R01GM100782, National Institutes of Health grant R01 DK078328,
PR:FUNDING_SOURCE                	National Science Foundation grant MCB-1139644
#STUDY
ST:STUDY_TITLE                   	Metabolomic analysis of mouse embryonic fibroblasts, embryonic stem cells, and
ST:STUDY_TITLE                   	pluripotent stem cells
ST:STUDY_TYPE                    	Cell Type Comparison
ST:STUDY_SUMMARY                 	mouse embryonic fibroblasts, embryonic stem cells, and induced pluripotent stem
ST:STUDY_SUMMARY                 	were compared via metabolomic analysis
ST:INSTITUTE                     	University of California, Davis
ST:DEPARTMENT                    	Genome Center
ST:LABORATORY                    	Fiehn Laboratory
ST:LAST_NAME                     	Meissen
ST:FIRST_NAME                    	John
ST:ADDRESS                       	451 Health Sci Drive, Davis, CA 95616
ST:EMAIL                         	jkmeissen@ucdavis.edu
ST:PHONE                         	530-752-9922
ST:NUM_GROUPS                    	3
ST:TOTAL_SUBJECTS                	18
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:AGE_OR_AGE_RANGE              	Embryo
SU:SPECIES_GROUP                 	Mammal
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	m15-T1R1	Mouse Cell Line:embryonic fibroblast	
SUBJECT_SAMPLE_FACTORS           	-	m15-T1R2	Mouse Cell Line:embryonic fibroblast	
SUBJECT_SAMPLE_FACTORS           	-	m15-T1R3	Mouse Cell Line:embryonic fibroblast	
SUBJECT_SAMPLE_FACTORS           	-	m15-T2R1	Mouse Cell Line:embryonic fibroblast	
SUBJECT_SAMPLE_FACTORS           	-	m15-T2R2	Mouse Cell Line:embryonic fibroblast	
SUBJECT_SAMPLE_FACTORS           	-	m15-T2R3	Mouse Cell Line:embryonic fibroblast	
SUBJECT_SAMPLE_FACTORS           	-	mESC-T1R1	Mouse Cell Line:embryonic stem cell	
SUBJECT_SAMPLE_FACTORS           	-	mESC-T1R2	Mouse Cell Line:embryonic stem cell	
SUBJECT_SAMPLE_FACTORS           	-	mESC-T1R3	Mouse Cell Line:embryonic stem cell	
SUBJECT_SAMPLE_FACTORS           	-	mESC-T2R1	Mouse Cell Line:embryonic stem cell	
SUBJECT_SAMPLE_FACTORS           	-	mESC-T2R2	Mouse Cell Line:embryonic stem cell	
SUBJECT_SAMPLE_FACTORS           	-	mESC-T2R3	Mouse Cell Line:embryonic stem cell	
SUBJECT_SAMPLE_FACTORS           	-	iPSC-T1R1	Mouse Cell Line:iPSC	
SUBJECT_SAMPLE_FACTORS           	-	iPSC-T1R2	Mouse Cell Line:iPSC	
SUBJECT_SAMPLE_FACTORS           	-	iPSC-T1R3	Mouse Cell Line:iPSC	
SUBJECT_SAMPLE_FACTORS           	-	iPSC-T2R1	Mouse Cell Line:iPSC	
SUBJECT_SAMPLE_FACTORS           	-	iPSC-T2R2	Mouse Cell Line:iPSC	
SUBJECT_SAMPLE_FACTORS           	-	iPSC-T2R3	Mouse Cell Line:iPSC	
#COLLECTION
CO:COLLECTION_SUMMARY            	-
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Cold Methanol Extraction
SP:PROCESSING_METHOD             	Homogenization and Solvent Removal w/ Speed Vac
SP:PROCESSING_STORAGE_CONDITIONS 	On Ice
SP:EXTRACTION_METHOD             	3:1 MeOH/H2O
SP:EXTRACT_STORAGE               	-80C
SP:SAMPLE_RESUSPENSION           	100 uL of 9:1 ACN/H2O with 5mM NH4OAc + 0.2% Acetic Acid
SP:CELL_TYPE                     	embryonic fibroblasts, embronic stem cells, induced pluripotent stem cells
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Untargeted HILIC Method
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity
CH:COLUMN_NAME                   	Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)
CH:COLUMN_PRESSURE               	300 Bar (Max)
CH:COLUMN_TEMPERATURE            	40
CH:FLOW_GRADIENT                 	0-4 min - 0% B, 4-12 min - Gradient to 45% B, 12-20 min - 45% B
CH:FLOW_RATE                     	0.25 mL/min
CH:INJECTION_TEMPERATURE         	4 C
CH:SAMPLE_INJECTION              	5 uL
CH:SOLVENT_A                     	H2O + 5mM NH4OAc + 0.2% Acetic Acid
CH:SOLVENT_B                     	9:1 Acetonitrile:H2O + 5mM NH4OAc + 0.2% Acetic Acid
CH:ANALYTICAL_TIME               	20 min
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Fiehn Laboratory
AN:ACQUISITION_DATE              	05-16-2011
AN:SOFTWARE_VERSION              	B02
AN:OPERATOR_NAME                 	John Meissen
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 6530 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:COLLISION_ENERGY              	Ramped - 0.02eV/m/z + 10 eV
MS:COLLISION_GAS                 	N2
MS:DRY_GAS_FLOW                  	Neb - 10 L/min, Sheath 9 L/min
MS:DRY_GAS_TEMP                  	Neb/Sheath - 350C
MS:GAS_PRESSURE                  	35 PSI
MS:IONIZATION                    	Electrospray Ionization
MS:MASS_ACCURACY                 	<1.5 mDa
MS:DATAFORMAT                    	.d
MS:SCAN_RANGE_MOVERZ             	100-1700
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak height
MS_METABOLITE_DATA_START
Samples	m15-T1R1	m15-T1R2	m15-T1R3	m15-T2R1	m15-T2R2	m15-T2R3	mESC-T1R1	mESC-T1R2	mESC-T1R3	mESC-T2R1	mESC-T2R2	mESC-T2R3	iPSC-T1R1	iPSC-T1R2	iPSC-T1R3	iPSC-T2R1	iPSC-T2R2	iPSC-T2R3
Factors	Mouse Cell Line:embryonic fibroblast	Mouse Cell Line:embryonic fibroblast	Mouse Cell Line:embryonic fibroblast	Mouse Cell Line:embryonic fibroblast	Mouse Cell Line:embryonic fibroblast	Mouse Cell Line:embryonic fibroblast	Mouse Cell Line:embryonic stem cell	Mouse Cell Line:embryonic stem cell	Mouse Cell Line:embryonic stem cell	Mouse Cell Line:embryonic stem cell	Mouse Cell Line:embryonic stem cell	Mouse Cell Line:embryonic stem cell	Mouse Cell Line:iPSC	Mouse Cell Line:iPSC	Mouse Cell Line:iPSC	Mouse Cell Line:iPSC	Mouse Cell Line:iPSC	Mouse Cell Line:iPSC
Acetylcarnitine	58040.0000	60942.0000	78014.0000	14093.0000	17948.0000	17926.0000	59787.0000	58049.0000	60402.0000	5318.0000	5925.0000	5779.0000	23803.0000	25064.0000	28873.0000	10445.0000	13572.0000	13467.0000
Betaine	104109.0000	116864.0000	123262.0000	18045.0000	25772.0000	29957.0000	102812.0000	97364.0000	117925.0000	9071.0000	9486.0000	9903.0000	144301.0000	146452.0000	159604.0000	54013.0000	55288.0000	50295.0000
Butyryl carnitine	4748.0000	7944.0000	6328.0000	6241.0000	7011.0000	7777.0000	8756.0000	8075.0000	8320.0000	2620.0000	1843.0000	2156.0000	2875.0000	3040.0000	3573.0000	2267.0000	1956.0000	1746.0000
Carnitine	82978.0000	62559.0000	104781.0000	15399.0000	15273.0000	18291.0000	89799.0000	91218.0000	95964.0000	6057.0000	9526.0000	8107.0000	43557.0000	49718.0000	58249.0000	16884.0000	12434.0000	17086.0000
Creatine	298459.0000	204896.0000	373895.0000	30721.0000	40126.0000	42868.0000	863781.0000	823663.0000	903878.0000	15248.0000	27482.0000	21785.0000	465781.0000	456427.0000	494302.0000	39520.0000	36568.0000	48141.0000
lysoPC 14:0	3261.0000	6972.0000	5103.0000	5683.0000	5496.0000	5604.0000	3304.0000	2519.0000	3752.0000	6486.0000	6668.0000	6925.0000	1771.0000	1438.0000	1827.0000	4500.0000	2501.0000	3434.0000
lysoPC 16:0	134478.0000	225115.0000	174603.0000	152838.0000	172888.0000	154558.0000	141401.0000	142072.0000	141988.0000	164749.0000	161136.0000	162089.0000	66055.0000	62401.0000	64752.0000	106424.0000	79105.0000	89241.0000
lysoPC 16:1	12788.0000	17977.0000	13343.0000	13782.0000	14454.0000	15070.0000	4214.0000	4256.0000	5938.0000	19408.0000	15451.0000	18290.0000	2212.0000	2663.0000	3297.0000	14685.0000	8383.0000	11877.0000
lysoPC 18:0	145222.0000	204910.0000	168732.0000	127989.0000	146755.0000	129175.0000	236806.0000	223285.0000	221103.0000	172712.0000	162789.0000	159881.0000	108693.0000	103626.0000	113683.0000	108808.0000	93930.0000	93300.0000
lysoPC 18:1	118673.0000	145841.0000	114514.0000	76747.0000	81848.0000	82498.0000	32849.0000	30477.0000	36011.0000	90416.0000	84608.0000	88758.0000	17191.0000	17167.0000	17290.0000	73596.0000	42590.0000	60631.0000
lysoPE 18:1	18040.0000	25374.0000	22821.0000	8912.0000	16891.0000	8557.0000	2420.0000	2808.0000	2950.0000	4769.0000	3810.0000	4485.0000	2066.0000	1706.0000	2133.0000	5902.0000	5823.0000	6020.0000
Pantothenic Acid	11909.0000	15376.0000	14255.0000	17510.0000	19908.0000	18640.0000	17575.0000	18093.0000	19692.0000	5397.0000	4725.0000	5208.0000	10585.0000	9483.0000	11310.0000	8283.0000	7752.0000	8117.0000
PC 30:0	839920.0000	421555.0000	894680.0000	978676.0000	928944.0000	945656.0000	757892.0000	1205728.0000	1054442.0000	834070.0000	781688.0000	797497.0000	759439.0000	718293.0000	301996.0000	568769.0000	592863.0000	573382.0000
PC 32:0	544338.0000	429268.0000	598728.0000	1018364.0000	897851.0000	886129.0000	1583965.0000	831637.0000	1343702.0000	1251078.0000	1240577.0000	1182535.0000	756521.0000	1739192.0000	845866.0000	841348.0000	1035751.0000	890936.0000
PC 32:1	801055.0000	907726.0000	528219.0000	1451514.0000	1484609.0000	1413636.0000	1521451.0000	570753.0000	734753.0000	1017944.0000	1131446.0000	1173389.0000	679077.0000	1025469.0000	803417.0000	902646.0000	1071880.0000	1068033.0000
PC 32:2	64893.0000	86538.0000	41694.0000	142324.0000	153366.0000	137326.0000	144965.0000	53367.0000	55667.0000	85413.0000	95926.0000	101333.0000	52805.0000	73243.0000	58201.0000	89078.0000	101109.0000	101431.0000
PC 34:1	1756312.0000	2451924.0000	1826050.0000	2202415.0000	2147170.0000	2263237.0000	1227602.0000	1506609.0000	1536178.0000	2111064.0000	2080481.0000	2081990.0000	1576150.0000	1522380.0000	1748498.0000	2129400.0000	2056885.0000	2136938.0000
PC 34:2	883172.0000	1156961.0000	753283.0000	873803.0000	879286.0000	876678.0000	364659.0000	591438.0000	534986.0000	790404.0000	803803.0000	827497.0000	673345.0000	421992.0000	717716.0000	785359.0000	723090.0000	763190.0000
PC 36:2	1654801.0000	2164913.0000	1660910.0000	1580341.0000	1592736.0000	1612743.0000	897037.0000	1068327.0000	980229.0000	1373542.0000	1328310.0000	1322131.0000	1249482.0000	1027532.0000	1342944.0000	1505705.0000	1389211.0000	1449321.0000
PC 36:3	248782.0000	322678.0000	220213.0000	361568.0000	372014.0000	350088.0000	329354.0000	416480.0000	383278.0000	579390.0000	574640.0000	581637.0000	367605.0000	273072.0000	390896.0000	414817.0000	408363.0000	403438.0000
PC 36:4	414713.0000	542750.0000	438932.0000	374926.0000	402544.0000	355306.0000	815920.0000	977840.0000	913250.0000	1084769.0000	1072452.0000	1084242.0000	759777.0000	583401.0000	727732.0000	697133.0000	735676.0000	722265.0000
PC 38:2	117087.0000	89392.0000	106788.0000	114330.0000	131603.0000	123516.0000	56640.0000	66148.0000	55586.0000	116225.0000	112573.0000	104765.0000	82479.0000	68517.0000	89378.0000	143352.0000	154888.0000	149403.0000
PC 38:3	65221.0000	63928.0000	64432.0000	117024.0000	131119.0000	119743.0000	159317.0000	196567.0000	165289.0000	292633.0000	285746.0000	272144.0000	166286.0000	151840.0000	172846.0000	231460.0000	226122.0000	219377.0000
PC 38:4	191746.0000	198655.0000	169180.0000	256327.0000	288259.0000	254898.0000	824613.0000	922597.0000	850030.0000	1012642.0000	984534.0000	970335.0000	716256.0000	665998.0000	753296.0000	718514.0000	747016.0000	711121.0000
PC 38:5	374856.0000	535704.0000	345765.0000	267246.0000	295371.0000	261228.0000	619477.0000	706735.0000	671218.0000	733083.0000	735106.0000	736450.0000	526744.0000	439116.0000	546998.0000	519768.0000	499127.0000	496448.0000
PC 38:6	59199.0000	77815.0000	58751.0000	191629.0000	198263.0000	185812.0000	206123.0000	237746.0000	222798.0000	297501.0000	296554.0000	301753.0000	180002.0000	140517.0000	180225.0000	214693.0000	200709.0000	212179.0000
PC 40:7	72127.0000	96755.0000	71171.0000	136314.0000	152440.0000	130932.0000	202269.0000	224658.0000	217943.0000	212170.0000	201950.0000	202287.0000	201086.0000	189037.0000	215070.0000	173638.0000	164941.0000	174944.0000
PE 32:1	30566.0000	18441.0000	26919.0000	42641.0000	40923.0000	41504.0000	13586.0000	15850.0000	15377.0000	24357.0000	23999.0000	22333.0000	18084.0000	16551.0000	17398.0000	29767.0000	30644.0000	30625.0000
PE 34:1	192310.0000	89865.0000	177485.0000	161255.0000	143471.0000	164831.0000	72027.0000	76156.0000	73158.0000	112985.0000	121816.0000	104639.0000	120745.0000	120621.0000	125354.0000	166662.0000	174231.0000	179203.0000
PE 34:2	97897.0000	66697.0000	90292.0000	105311.0000	111872.0000	106257.0000	29825.0000	33665.0000	30506.0000	58031.0000	50796.0000	49593.0000	42601.0000	36654.0000	41327.0000	81300.0000	82061.0000	81425.0000
PE 36:2	483200.0000	276413.0000	478663.0000	311289.0000	317475.0000	337619.0000	119240.0000	125107.0000	117988.0000	201291.0000	190093.0000	164100.0000	226165.0000	231134.0000	233943.0000	335230.0000	346659.0000	354371.0000
PE 36:3	54081.0000	41122.0000		67950.0000	73265.0000	68971.0000	28061.0000	30819.0000	29745.0000	56215.0000	50313.0000	46521.0000	32054.0000	30965.0000	32342.0000	53664.0000	53092.0000	52447.0000
PE 36:4	56757.0000	48711.0000	52667.0000	116693.0000	119490.0000	111825.0000	75174.0000	84676.0000	83324.0000	140623.0000	125053.0000	119061.0000	71788.0000	66329.0000	69408.0000	91111.0000	102208.0000	95691.0000
PE 38:4	182668.0000	124843.0000	185217.0000	263096.0000	267478.0000	281463.0000	314820.0000	333195.0000	327914.0000	439537.0000	406056.0000	365900.0000	278157.0000	331915.0000	297096.0000	286913.0000	317805.0000	307373.0000
PE 38:5	142036.0000	128058.0000	139112.0000	198267.0000	197854.0000	207133.0000	130452.0000	140380.0000	141850.0000	216961.0000	186430.0000	190073.0000	131325.0000	128333.0000	129170.0000	171144.0000	173852.0000	171836.0000
PE 38:6	35350.0000	33498.0000	32378.0000	72204.0000	76065.0000	70160.0000	55842.0000	63000.0000	63157.0000	109550.0000	92110.0000	92207.0000	57784.0000	53213.0000	58168.0000	79546.0000	85041.0000	80590.0000
PE 40:7	60875.0000	56607.0000	58011.0000	88698.0000	93248.0000	90599.0000	73902.0000	75458.0000	79565.0000	86329.0000	74122.0000	74858.0000	78962.0000	84556.0000	80426.0000	82596.0000	83276.0000	83124.0000
plasmenyl-PC 36:4	12476.0000	13806.0000	11085.0000	32259.0000	35046.0000	31868.0000	160741.0000	189419.0000	168126.0000	237676.0000	218167.0000	223004.0000	128574.0000	101348.0000	123648.0000	137758.0000	151515.0000	137245.0000
plasmenyl-PE 34:1	192965.0000	81285.0000	178041.0000	110242.0000	93827.0000	114506.0000	43789.0000	46463.0000	43294.0000	58192.0000	69277.0000	54190.0000	52490.0000	59667.0000	55648.0000	71131.0000	75987.0000	79332.0000
plasmenyl-PE 34:2	62225.0000	37571.0000	61289.0000	52257.0000	48671.0000	51941.0000	14737.0000	15905.0000	17202.0000	26367.0000	25717.0000	22935.0000	13998.0000	15807.0000	15077.0000	25040.0000	25195.0000	26792.0000
plasmenyl-PE 36:2	184483.0000	85926.0000	183727.0000	88323.0000	86692.0000	98501.0000	33222.0000	33332.0000	33042.0000	45930.0000	49476.0000	40032.0000	38096.0000	43811.0000	40994.0000	59224.0000	64305.0000	65478.0000
plasmenyl-PE 36:4	170502.0000	122885.0000	161795.0000	278712.0000	284182.0000	280979.0000	357660.0000	382831.0000	385383.0000	488145.0000	429478.0000	405398.0000	321736.0000	340582.0000	322255.0000	355237.0000	400188.0000	383111.0000
plasmenyl-PE 38:4	126639.0000	85570.0000	131069.0000	152892.0000	155562.0000	169495.0000	174128.0000	181294.0000	183439.0000	237080.0000	213832.0000	204101.0000	153743.0000	193920.0000	136608.0000	191621.0000	199405.0000	201606.0000
plasmenyl-PE 38:6	76056.0000	64841.0000	68105.0000	157679.0000	166490.0000	164860.0000	121323.0000	136819.0000	138578.0000	235861.0000	199783.0000	205931.0000	113563.0000	112553.0000	112381.0000	167298.0000	195190.0000	183099.0000
plasmenyl-PE 40:6	73830.0000	62562.0000	74416.0000	115105.0000	124347.0000	129509.0000	86689.0000	91671.0000	91290.0000	160005.0000	144922.0000	134766.0000	78618.0000	91109.0000	61159.0000	119597.0000	123331.0000	126466.0000
SM 32:1	36131.0000	28548.0000	37382.0000	28841.0000	23577.0000	28006.0000	42783.0000	42586.0000	42049.0000	29250.0000	33489.0000	31004.0000	29929.0000	26473.0000	29008.0000	23607.0000	20798.0000	21648.0000
SM 34:1	1443859.0000	849975.0000	1367595.0000	360919.0000	256003.0000	323144.0000	1306052.0000	1339526.0000	1334168.0000	436096.0000	733519.0000	640063.0000	1144931.0000	1094742.0000	1193675.0000	477444.0000	460519.0000	472838.0000
SM 34:2	80863.0000	75156.0000	94941.0000	106423.0000	108826.0000	104474.0000	139881.0000	142519.0000	132411.0000	98125.0000	96742.0000	91781.0000	84947.0000	79009.0000	86398.0000	71358.0000	62355.0000	62814.0000
SM 36:2	22316.0000	14807.0000	23600.0000	15367.0000	13721.0000	15054.0000	20411.0000	19992.0000	17685.0000	13698.0000	15953.0000	13081.0000	16647.0000	15772.0000	15824.0000	14530.0000	13107.0000	13800.0000
Sphingosine	40221.0000	65597.0000	36550.0000	26985.0000	26934.0000	26344.0000	29871.0000	35639.0000	39898.0000	47069.0000	45466.0000	45168.0000	32290.0000	24231.0000	33665.0000	30264.0000	28371.0000	25047.0000
Taurine	521094.0000	345155.0000	550930.0000	155927.0000	176304.0000	196313.0000	621628.0000	625820.0000	710433.0000	46063.0000	76412.0000	59713.0000	459870.0000	405380.0000	459803.0000	111315.0000	103051.0000	132147.0000
Adenosine	2558	3616	4270	2526	2647	2671			4575	9162	7470	7624		1607	322	10701	10157	9497
plasmenyl-PC 34:1				55169	57876	55914				33447	42498						37208	33721
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
Acetylcarnitine	204.1230	13.12	HILIC Pos	7045767				Metlin
Betaine	118.0863	11.40	HILIC Pos	247		C00719		Metlin
Butyryl carnitine	232.1543	12.52	HILIC Pos	213144				Metlin
Carnitine	162.1125	13.48	HILIC Pos	288		C00318		Metlin
Creatine	132.0768	12.16	HILIC Pos	586		C00300		Metlin
lysoPC 14:0	468.3085	11.53	HILIC Pos	460604				LipidBlastPos
lysoPC 16:0	496.3399	11.28	HILIC Pos	460602				LipidBlastPos
lysoPC 16:1	494.3243	11.45	HILIC Pos	24779461				LipidBlastPos
lysoPC 18:0	524.3707	11.30	HILIC Pos	497299				LipidBlastPos
lysoPC 18:1	522.3556	11.21	HILIC Pos	16081932				LipidBlastPos
lysoPE 18:1	480.3090	7.69	HILIC Pos	9547071				LipidBlastPos
Pantothenic Acid	220.1180	4.86	HILIC Pos	988		C00864		Metlin
PC 30:0	706.5388	9.70	HILIC Pos	24778679				LipidBlastPos
PC 32:0	734.5686	9.31	HILIC Pos					LipidBlastPos
PC 32:1	732.5552	9.65	HILIC Pos					LipidBlastPos
PC 32:2	730.5387	9.23	HILIC Pos					LipidBlastPos
PC 34:1	760.5863	8.92	HILIC Pos	24778933				LipidBlastPos
PC 34:2	758.5701	8.84	HILIC Pos	24778935				LipidBlastPos
PC 36:2	786.6008	8.58	HILIC Pos	10350317				LipidBlastPos
PC 36:3	784.5859	8.81	HILIC Pos					LipidBlastPos
PC 36:4	782.5694	8.43	HILIC Pos	24779073				LipidBlastPos
PC 38:2	814.6317	8.56	HILIC Pos					LipidBlastPos
PC 38:3	812.6158	8.54	HILIC Pos	52923231				LipidBlastPos
PC 38:4	810.6008	8.13	HILIC Pos					LipidBlastPos
PC 38:5	808.5851	8.11	HILIC Pos					LipidBlastPos
PC 38:6	806.5696	8.27	HILIC Pos	24779131				LipidBlastPos
PC 40:7	832.5852	7.96	HILIC Pos	52923693				LipidBlastPos
PE 32:1	690.5065	4.35	HILIC Pos	57339224				LipidBlastPos
PE 34:1	718.5380	4.21	HILIC Pos	57339246				LipidBlastPos
PE 34:2	716.5226	4.26	HILIC Pos	57339224				LipidBlastPos
PE 36:2	744.5546	4.08	HILIC Pos	57339224				LipidBlastPos
PE 36:3	742.5375	4.15	HILIC Pos	57339246				LipidBlastPos
PE 36:4	740.5236	4.02	HILIC Pos	57339246				LipidBlastPos
PE 38:4	768.5548	3.93	HILIC Pos	57339224				LipidBlastPos
PE 38:5	766.5390	3.92	HILIC Pos	57339224				LipidBlastPos
PE 38:6	764.5230	3.99	HILIC Pos	57339246				LipidBlastPos
PE 40:7	790.5379	3.92	HILIC Pos	52924844				LipidBlastPos
plasmenyl-PC 36:4	766.5749	8.05	HILIC Pos	24779388				LipidBlastPos
plasmenyl-PE 34:1	702.5433	4.14	HILIC Pos	52925128				LipidBlastPos
plasmenyl-PE 34:2	700.5273	4.07	HILIC Pos	52925127				LipidBlastPos
plasmenyl-PE 36:2	728.5588	4.06	HILIC Pos	52925059				LipidBlastPos
plasmenyl-PE 36:4	724.5289	3.81	HILIC Pos	52925126				LipidBlastPos
plasmenyl-PE 38:4	752.5589	3.79	HILIC Pos	9547058				LipidBlastPos
plasmenyl-PE 38:6	748.5286	3.73	HILIC Pos	5283497				LipidBlastPos
plasmenyl-PE 40:6	776.5588	3.76	HILIC Pos	42607458				LipidBlastPos
SM 32:1	675.5441	11.09	HILIC Pos	11433862				LipidBlastPos
SM 34:1	703.5753	10.92	HILIC Pos	70678679				LipidBlastPos
SM 34:2	701.5592	11.03	HILIC Pos	70678679				LipidBlastPos
SM 36:2	729.5911	10.91	HILIC Pos	70678679				LipidBlastPos
Sphingosine	300.2897	4.28	HILIC Pos	91486		C00319		Metlin
Taurine	126.0219	4.76	HILIC Pos	1123		C00245		Metlin
Adenosine							
plasmenyl-PC 34:1							
METABOLITES_END
#END