#METABOLOMICS WORKBENCH bjj25_20200109_074752 DATATRACK_ID:1891 STUDY_ID:ST001332 ANALYSIS_ID:AN002221 PROJECT_ID:PR000910
VERSION             	1
CREATED_ON             	March 24, 2020, 2:12 pm
#PROJECT
PR:PROJECT_TITLE                 	LCMS lipid and acyl-carnitine analysis
PR:PROJECT_SUMMARY               	Lipidomics and acyl-carnitine analysis.
PR:INSTITUTE                     	University of Cambridge
PR:LABORATORY                    	CMaLL
PR:LAST_NAME                     	Jenkins
PR:FIRST_NAME                    	Benjamin
PR:ADDRESS                       	Department of Biochemistry, University of Cambridge, c/o Level 4, Pathology
PR:ADDRESS                       	Building
PR:EMAIL                         	bjj25@medschl.cam.ac.uk
PR:PHONE                         	07731103718
#STUDY
ST:STUDY_TITLE                   	LCMS lipid and acyl-carnitine analysis
ST:STUDY_SUMMARY                 	LCMS Lipidomics and acyl-carnitine analysis.
ST:INSTITUTE                     	University of Cambridge
ST:LABORATORY                    	CMaLL
ST:LAST_NAME                     	Jenkins
ST:FIRST_NAME                    	Benjamin
ST:ADDRESS                       	Department of Biochemistry, University of Cambridge, c/o Level 4, Pathology
ST:ADDRESS                       	Building
ST:EMAIL                         	bjj25@medschl.cam.ac.uk
ST:PHONE                         	07731103718
#SUBJECT
SU:SUBJECT_TYPE                  	Invertebrate
SU:SUBJECT_SPECIES               	Caenorhabditis elegans
SU:TAXONOMY_ID                   	6239
#FACTORS
#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           	-	20190326_BJJ_Acyl_carnitines_Sample_1_HBS	Treatment:HBS	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_acyl_carnitines_010; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Acyl_carnitines_Sample_2_HB	Treatment:HB	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_acyl_carnitines_011; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Acyl_carnitines_Sample_3_HBS	Treatment:HBS	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_acyl_carnitines_012; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Acyl_carnitines_Sample_4_HB	Treatment:HB	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_acyl_carnitines_013; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Acyl_carnitines_Sample_5_BIG	Treatment:BIG	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_acyl_carnitines_014; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Acyl_carnitines_Sample_6_BIG	Treatment:BIG	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_acyl_carnitines_015; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Acyl_carnitines_Sample_7_BIG	Treatment:BIG	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_acyl_carnitines_016; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Acyl_carnitines_Sample_8_BIG	Treatment:BIG	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_acyl_carnitines_017; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Lipids_Sample_1_HBS	Treatment:HBS	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_Lipids_02May2019_20; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Lipids_Sample_2_HB	Treatment:HB	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_Lipids_02May2019_21; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Lipids_Sample_3_HBS	Treatment:HBS	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_Lipids_02May2019_22; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Lipids_Sample_4_HB	Treatment:HB	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_Lipids_02May2019_23; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Lipids_Sample_5_BIG	Treatment:BIG	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_Lipids_02May2019_24; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Lipids_Sample_6_BIG	Treatment:BIG	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_Lipids_02May2019_25; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Lipids_Sample_7_BIG	Treatment:BIG	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_Lipids_02May2019_26; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190326_BJJ_Lipids_Sample_8_BIG	Treatment:BIG	RAW_FILE_NAME=20190326_BJJ_Nick_Burton_LCMS_Lipids_02May2019_27; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Acyl_carnitines_Sample_1_HB101	Treatment:HB101	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_acyl_carnitines_30May2019_009; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Acyl_carnitines_Sample_2_HB101	Treatment:HB101	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_acyl_carnitines_30May2019_010; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Acyl_carnitines_Sample_3_HB101	Treatment:HB101	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_acyl_carnitines_30May2019_011; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Acyl_carnitines_Sample_4_PA14	Treatment:PA14	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_acyl_carnitines_30May2019_012; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Acyl_carnitines_Sample_5_PA14	Treatment:PA14	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_acyl_carnitines_30May2019_013; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Acyl_carnitines_Sample_6_PA14	Treatment:PA14	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_acyl_carnitines_30May2019_014; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Acyl_carnitines_Sample_7_P.LUMIN	Treatment:P.Lumin	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_acyl_carnitines_30May2019_015; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Acyl_carnitines_Sample_8_P.LUMIN	Treatment:P.Lumin	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_acyl_carnitines_30May2019_016; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Acyl_carnitines_Sample_9_P.LUMIN	Treatment:P.Lumin	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_acyl_carnitines_30May2019_017; Analysis=Acyl_carnitine
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Lipids_Sample_1_HB101	Treatment:HB101	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_Lipids_MSfilename_28May2019_046; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Lipids_Sample_2_HB101	Treatment:HB101	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_Lipids_MSfilename_28May2019_047; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Lipids_Sample_3_HB101	Treatment:HB101	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_Lipids_MSfilename_28May2019_048; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Lipids_Sample_4_PA14	Treatment:PA14	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_Lipids_MSfilename_28May2019_049; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Lipids_Sample_5_PA14	Treatment:PA14	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_Lipids_MSfilename_28May2019_050; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Lipids_Sample_6_PA14	Treatment:PA14	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_Lipids_MSfilename_28May2019_051; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Lipids_Sample_7_P.lumin	Treatment:P.Lumin	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_Lipids_MSfilename_28May2019_052; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Lipids_Sample_8_P.lumin	Treatment:P.Lumin	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_Lipids_MSfilename_28May2019_053; Analysis=Lipids
SUBJECT_SAMPLE_FACTORS           	-	20190510_BJJ_Lipids_Sample_9_P.lumin	Treatment:P.Lumin	RAW_FILE_NAME=20190510_BJJ_Nick_Burton_LCMS_Lipids_MSfilename_28May2019_054; Analysis=Lipids
#COLLECTION
CO:COLLECTION_SUMMARY            	LCMS lipid and acyl-carnitine analysis.
CO:SAMPLE_TYPE                   	C. elegans
#TREATMENT
TR:TREATMENT_SUMMARY             	Parental exposure to environmental stress can program adaptive changes in
TR:TREATMENT_SUMMARY             	offspring in diverse organisms (1–4). The mechanisms by which parental
TR:TREATMENT_SUMMARY             	exposure to environmental stresses can program predictive adaptive responses in
TR:TREATMENT_SUMMARY             	offspring remain almost completely unknown. Here we report that the soil
TR:TREATMENT_SUMMARY             	bacteria Pseudomonas vranovensis is a natural pathogen of the nematode
TR:TREATMENT_SUMMARY             	Caenorhabditis elegans and that parental exposure of C. elegans to P.
TR:TREATMENT_SUMMARY             	vranovensis promotes offspring resistance to infection. This adaptation can be
TR:TREATMENT_SUMMARY             	transmitted transgenerationally such that infection of adults can enhance the
TR:TREATMENT_SUMMARY             	immunity of their descendants four generations later. We find that parental
TR:TREATMENT_SUMMARY             	infection by P. vranovensis results in increased expression of the cysteine
TR:TREATMENT_SUMMARY             	synthases CYSL-1 and CYSL-2 and the regulator of hypoxia inducible factor RHY-1
TR:TREATMENT_SUMMARY             	in progeny, that the expression of these three genes in offspring is required
TR:TREATMENT_SUMMARY             	for adaptation to P. vranovensis, and that the expression of these genes is
TR:TREATMENT_SUMMARY             	regulated by the WD40 repeat protein WDR-23.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	C. elegans was prepared for LC-MS lipidomics and acyl-carnitine analysis as
SP:SAMPLEPREP_SUMMARY            	previously described (3) with minor modifications. Briefly, ~40 µL of
SP:SAMPLEPREP_SUMMARY            	concentrated embryos were re-suspended in 100 µL of water, then 0.4 mL of
SP:SAMPLEPREP_SUMMARY            	chloroform was added to each sample followed by 0.2 mL of methanol containing
SP:SAMPLEPREP_SUMMARY            	the stable isotope labelled acyl-carnitine internal standards
SP:SAMPLEPREP_SUMMARY            	(Butyryl-L-carnitine-d7 at 5 µM and Hexadecanoyl-L-carnitine-d3 at 5 µM). The
SP:SAMPLEPREP_SUMMARY            	samples were then homogenised by vortexing then transferred into a 2 mL
SP:SAMPLEPREP_SUMMARY            	Eppendorf screw-cap tube. The original container was washed out with 0.5 mL of
SP:SAMPLEPREP_SUMMARY            	chloroform: methanol (2: 1, respectively) and added to the appropriate 2 mL
SP:SAMPLEPREP_SUMMARY            	Eppendorf screw-cap tube. This was followed by the addition of 150 µL of the
SP:SAMPLEPREP_SUMMARY            	following stable isotope labelled internal standards (approximately 10 to 50 µM
SP:SAMPLEPREP_SUMMARY            	in methanol): Ceramide_C16d31, LPC_(C14:0d42), PC_(C16:0d31 / C18:1),
SP:SAMPLEPREP_SUMMARY            	PE_(C16:0d31 / C18:1), PG_(C16:0d31 / C18:1), PI_(C16:0d31 / C18:1),
SP:SAMPLEPREP_SUMMARY            	PS_(C16:0d62), SM_(C16:0d31), TG_(45:0d29) and TG_(48:0d31). Then, 400 µL of
SP:SAMPLEPREP_SUMMARY            	sterile water was added. The samples were vortexed for 1 min, and then
SP:SAMPLEPREP_SUMMARY            	centrifuged at ~20,000 rpm for 5 minutes. For the intact lipid sample
SP:SAMPLEPREP_SUMMARY            	preparation, 0.3 mL of the organic layer (the lower chloroform layer) was
SP:SAMPLEPREP_SUMMARY            	collected into a 2 mL amber glass vial (Agilent Technologies, Santa Clara
SP:SAMPLEPREP_SUMMARY            	California, USA) and dried down to dryness in an Eppendorf Concentrator Plus
SP:SAMPLEPREP_SUMMARY            	system (Eppendorf, Stevenage, UK) run for 60 minutes at 45 °C. The dried lipid
SP:SAMPLEPREP_SUMMARY            	samples were then reconstituted with 100 µL of 2:1:1 solution of propan-2-ol,
SP:SAMPLEPREP_SUMMARY            	acetonitrile and water, respectively, and then vortexed thoroughly. The lipid
SP:SAMPLEPREP_SUMMARY            	samples were then transferred into a 300 μL low-volume vial insert inside a 2
SP:SAMPLEPREP_SUMMARY            	mL amber glass auto-sample vial ready for liquid chromatography separation with
SP:SAMPLEPREP_SUMMARY            	mass spectrometry detection (LC-MS) of intact lipid species. For the
SP:SAMPLEPREP_SUMMARY            	acyl-carnitine sample preparation, 0.2 mL of the organic layer (the lower
SP:SAMPLEPREP_SUMMARY            	chloroform layer) and 0.2 mL of the aqueous layer (the top water layer) were
SP:SAMPLEPREP_SUMMARY            	mixed into a 2 mL amber glass vial and dried down to dryness. The dried
SP:SAMPLEPREP_SUMMARY            	acyl-carnitine samples were then reconstituted with 100 µL of water and
SP:SAMPLEPREP_SUMMARY            	acetonitrile (4: 1, respectively) and thoroughly vortexed. The acyl-carnitine
SP:SAMPLEPREP_SUMMARY            	samples were then transferred into a 300 μL low-volume vial insert inside a 2
SP:SAMPLEPREP_SUMMARY            	mL amber glass auto-sample vial ready for liquid chromatography separation with
SP:SAMPLEPREP_SUMMARY            	mass spectrometry detection (LC-MS) of the acyl-carnitine species.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Full chromatographic separation of intact lipids (4) was achieved using Shimadzu
CH:CHROMATOGRAPHY_SUMMARY        	HPLC System (Shimadzu UK Limited, Milton Keynes, United Kingdom) with the
CH:CHROMATOGRAPHY_SUMMARY        	injection of 10 µL onto a Waters Acquity UPLC® CSH C18 column; 1.7 µm, I.D.
CH:CHROMATOGRAPHY_SUMMARY        	2.1 mm X 50 mm, maintained at 55 °C. Mobile phase A was 6:4, acetonitrile and
CH:CHROMATOGRAPHY_SUMMARY        	water with 10 mM ammonium formate. Mobile phase B was 9:1, propan-2-ol and
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile with 10 mM ammonium formate. The flow was maintained at 500 µL per
CH:CHROMATOGRAPHY_SUMMARY        	minute through the following gradient: 0.00 minutes_40% mobile phase B; 0.40
CH:CHROMATOGRAPHY_SUMMARY        	minutes_43% mobile phase B; 0.45 minutes_50% mobile phase B; 2.40 minutes_54%
CH:CHROMATOGRAPHY_SUMMARY        	mobile phase B; 2.45 minutes_70% mobile phase B; 7.00 minutes_99% mobile phase
CH:CHROMATOGRAPHY_SUMMARY        	B; 8.00 minutes_99% mobile phase B; 8.3 minutes_40% mobile phase B; 10
CH:CHROMATOGRAPHY_SUMMARY        	minutes_40% mobile phase B; 10.00 minutes_40% mobile phase B. The sample
CH:CHROMATOGRAPHY_SUMMARY        	injection needle was washed using 9:1, 2-propan-2-ol and acetonitrile with 0.1 %
CH:CHROMATOGRAPHY_SUMMARY        	formic acid. The mass spectrometer used was the Thermo Scientific Exactive
CH:CHROMATOGRAPHY_SUMMARY        	Orbitrap with a heated electrospray ionisation source (Thermo Fisher Scientific,
CH:CHROMATOGRAPHY_SUMMARY        	Hemel Hempstead, UK). The mass spectrometer was calibrated immediately before
CH:CHROMATOGRAPHY_SUMMARY        	sample analysis using positive and negative ionisation calibration solution
CH:CHROMATOGRAPHY_SUMMARY        	(recommended by Thermo Scientific). Additionally, the heated electrospray
CH:CHROMATOGRAPHY_SUMMARY        	ionisation source was optimised at 50:50 mobile phase A to mobile phase B for
CH:CHROMATOGRAPHY_SUMMARY        	spray stability (capillary temperature; 380 °C, source heater temperature; 420
CH:CHROMATOGRAPHY_SUMMARY        	°C, sheath gas flow; 60 (arbitrary), auxiliary gas flow; 20 (arbitrary), sweep
CH:CHROMATOGRAPHY_SUMMARY        	gas; 5 (arbitrary), source voltage; 3.5 kV. The mass spectrometer resolution was
CH:CHROMATOGRAPHY_SUMMARY        	set to 25,000 with a full-scan range of m/z 100 to 1,800 Da, with continuous
CH:CHROMATOGRAPHY_SUMMARY        	switching between positive and negative mode. Lipid quantification was achieved
CH:CHROMATOGRAPHY_SUMMARY        	using the area under the curve (AUC) of the corresponding high resolution
CH:CHROMATOGRAPHY_SUMMARY        	extracted ion chromatogram (with a window of ± 8 ppm) at the indicative
CH:CHROMATOGRAPHY_SUMMARY        	retention time. The lipid analyte AUC relative to the associated internal
CH:CHROMATOGRAPHY_SUMMARY        	standard AUC for that lipid class was used to semi-quantify and correct for any
CH:CHROMATOGRAPHY_SUMMARY        	extraction/instrument variation.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Shimadzu 20AD
CH:COLUMN_NAME                   	Waters Acquity UPLC CSH C18(1.7 µm, 2.1 mm X 50 mm)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Exactive
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	The mass spectrometer used was the Thermo Scientific Exactive Orbitrap with a
MS:MS_COMMENTS                   	heated electrospray ionisation source (Thermo Fisher Scientific, Hemel
MS:MS_COMMENTS                   	Hempstead, UK). The mass spectrometer was calibrated immediately before sample
MS:MS_COMMENTS                   	analysis using positive and negative ionisation calibration solution
MS:MS_COMMENTS                   	(recommended by Thermo Scientific). Additionally, the heated electrospray
MS:MS_COMMENTS                   	ionisation source was optimised at 50:50 mobile phase A to mobile phase B for
MS:MS_COMMENTS                   	spray stability (capillary temperature; 380 °C, source heater temperature; 420
MS:MS_COMMENTS                   	°C, sheath gas flow; 60 (arbitrary), auxiliary gas flow; 20 (arbitrary), sweep
MS:MS_COMMENTS                   	gas; 5 (arbitrary), source voltage; 3.5 kV. The mass spectrometer resolution was
MS:MS_COMMENTS                   	set to 25,000 with a full-scan range of m/z 100 to 1,800 Da, with continuous
MS:MS_COMMENTS                   	switching between positive and negative mode. Lipid quantification was achieved
MS:MS_COMMENTS                   	using the area under the curve (AUC) of the corresponding high resolution
MS:MS_COMMENTS                   	extracted ion chromatogram (with a window of ± 8 ppm) at the indicative
MS:MS_COMMENTS                   	retention time. The lipid analyte AUC relative to the associated internal
MS:MS_COMMENTS                   	standard AUC for that lipid class was used to semi-quantify and correct for any
MS:MS_COMMENTS                   	extraction/instrument variation.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Area ratio
MS_METABOLITE_DATA_START
Samples	20190326_BJJ_Acyl_carnitines_Sample_1_HBS	20190326_BJJ_Acyl_carnitines_Sample_2_HB	20190326_BJJ_Acyl_carnitines_Sample_3_HBS	20190326_BJJ_Acyl_carnitines_Sample_4_HB	20190326_BJJ_Acyl_carnitines_Sample_5_BIG	20190326_BJJ_Acyl_carnitines_Sample_6_BIG	20190326_BJJ_Acyl_carnitines_Sample_7_BIG	20190326_BJJ_Acyl_carnitines_Sample_8_BIG	20190326_BJJ_Lipids_Sample_1_HBS	20190326_BJJ_Lipids_Sample_2_HB	20190326_BJJ_Lipids_Sample_3_HBS	20190326_BJJ_Lipids_Sample_4_HB	20190326_BJJ_Lipids_Sample_5_BIG	20190326_BJJ_Lipids_Sample_6_BIG	20190326_BJJ_Lipids_Sample_7_BIG	20190326_BJJ_Lipids_Sample_8_BIG	20190510_BJJ_Acyl_carnitines_Sample_1_HB101	20190510_BJJ_Acyl_carnitines_Sample_2_HB101	20190510_BJJ_Acyl_carnitines_Sample_3_HB101	20190510_BJJ_Acyl_carnitines_Sample_4_PA14	20190510_BJJ_Acyl_carnitines_Sample_5_PA14	20190510_BJJ_Acyl_carnitines_Sample_6_PA14	20190510_BJJ_Acyl_carnitines_Sample_7_P.LUMIN	20190510_BJJ_Acyl_carnitines_Sample_8_P.LUMIN	20190510_BJJ_Acyl_carnitines_Sample_9_P.LUMIN	20190510_BJJ_Lipids_Sample_1_HB101	20190510_BJJ_Lipids_Sample_2_HB101	20190510_BJJ_Lipids_Sample_3_HB101	20190510_BJJ_Lipids_Sample_4_PA14	20190510_BJJ_Lipids_Sample_5_PA14	20190510_BJJ_Lipids_Sample_6_PA14	20190510_BJJ_Lipids_Sample_7_P.lumin	20190510_BJJ_Lipids_Sample_8_P.lumin	20190510_BJJ_Lipids_Sample_9_P.lumin
Factors	Treatment:HBS	Treatment:HB	Treatment:HBS	Treatment:HB	Treatment:BIG	Treatment:BIG	Treatment:BIG	Treatment:BIG	Treatment:HBS	Treatment:HB	Treatment:HBS	Treatment:HB	Treatment:BIG	Treatment:BIG	Treatment:BIG	Treatment:BIG	Treatment:HB101	Treatment:HB101	Treatment:HB101	Treatment:PA14	Treatment:PA14	Treatment:PA14	Treatment:P.Lumin	Treatment:P.Lumin	Treatment:P.Lumin	Treatment:HB101	Treatment:HB101	Treatment:HB101	Treatment:PA14	Treatment:PA14	Treatment:PA14	Treatment:P.Lumin	Treatment:P.Lumin	Treatment:P.Lumin
Carnitine_(C0)	0.05867	0.04902	0.0877	0.05589	0.03468	0.03369	0.03204	0.03238									0.368	0.047	0.162	0.04	0.06	0.096	0.067	0.064	0.038									
Carnitine_(C04_dicarboxylic_acid)																																		
Carnitine_(C02)	0.03055	0.02733	0.0144	0.02042	0.03236	0.02483	0.02465	0.02523									0.001	0.024	0.004	0.044	0.034	0.022	0.036	0.036	0.042									
Carnitine_(C04_OH)																				0.001														
Carnitine_(C04:1)																																		
Carnitine_(C06_OH)																																		
Carnitine_(C03)	0.03385	0.02841	0.01986	0.02205	0.05489	0.02262	0.03488	0.02556									0.002	0.009	0.004	0.016	0.022	0.008	0.011	0.013	0.016									
Carnitine_(C03_OH)	0.00049	0.00039	0.00044	0.00035													0.001																	
Carnitine_(C06:1)																																		
Carnitine_(C03_dicarboxylic_acid)																																		
Carnitine_(C03_methyldicarboxylic_acid)																																		
Carnitine_(C05_dicarboxylic_acid)																																		
Carnitine_(C05_OH)	0.00088	0.00063	0.00072	0.00054	0.00035	0.00015	0.00023	0.00023												0.001			0.001		0.001									
Carnitine_(C04)	0.00392	0.00354	0.00419	0.00309	0.00473	0.00327	0.0039	0.00331									0.001	0.001	0.001	0.001	0.002	0.001	0.002	0.002	0.002									
Carnitine_(C03:1)																																		
Carnitine_(C05:1)	0.00293	0.00198	0.00288	0.00166	0.00206	0.00161	0.00143	0.00103												0.001	0.002	0.001	0.002	0.002	0.002									
Carnitine_(C05)	0.00815	0.01132	0.00509	0.00661	0.01227	0.0102	0.01275	0.01389										0.002	0.001	0.002	0.001	0.001	0.001	0.001	0.002									
Carnitine_(C06_dicarboxylic_acid)	0.00012	0.0003	0.00008	0.00009	0.00021	0.00022	0.0002	0.00021																										
Carnitine_(C06)	0.00367	0.0058	0.00194	0.00348	0.00507	0.00597	0.00544	0.00594										0.003	0.001	0.002	0.001	0.001	0.001	0.001	0.001									
Carnitine_(C10:1_OH)																																		
Carnitine_(C08_dicarboxylic_acid)																																		
Carnitine_(C10:2)																																		
Carnitine_(C07)	0.007	0.00888	0.00431	0.00535	0.00381	0.00493	0.00356	0.005										0.002	0.001	0.001	0.001	0.001	0.001	0.001	0.001									
Carnitine_(C08:1)	0.00177	0.00207	0.00144	0.00167	0.00125	0.00164	0.00124	0.00151																										
Carnitine_(C10_OH)	0.00027	0.00064	0.00012	0.00027	0.00032	0.00034	0.00034	0.00042																										
Carnitine_(C08)	0.00293	0.00375	0.00235	0.00238	0.00295	0.00325	0.00313	0.00299												0.001	0.001													
Carnitine_(C10_dicarboxylic_acid)																																		
Carnitine_(C09)	0.00545	0.00672	0.00377	0.00441	0.00172	0.00229	0.00159	0.00185										0.001	0.001				0.017	0.017	0.009									
Carnitine_(C10:1)	0.00152	0.00202	0.00124	0.00133	0.00109	0.00106	0.00097	0.00104																										
Carnitine_(C12:1_OH)	0.00103	0.00152	0.00073	0.00089	0.0008	0.0009	0.0008	0.0008									0.001	0.003	0.003	0.005	0.002	0.002	0.002	0.002	0.003									
Carnitine_(C10)	0.00225	0.0023	0.00167	0.00175	0.00215	0.00209	0.00222	0.00174																										
Carnitine_(C12_OH)	0.00007	0.00022	0.00002	0.00009			0.00002	0.00001																										
Carnitine_(C14:1_OH)																																		
Carnitine_(C12:1)	0.00184	0.002	0.00155	0.00147	0.00544	0.0057	0.00706	0.00478											0.001	0.002	0.001	0.001	0.001		0.001									
Carnitine_(C11)	0.00312	0.00188	0.00249	0.00265	0.00104	0.00233	0.00216	0.00063															0.001	0.001	0.001									
Carnitine_(C14:2)																																		
Carnitine_(C18:2_OH)																																		
Carnitine_(C14_OH)	0.00022	0.0004	0.00011	0.00018	0.00004	0.00006	0.00006	0.00003																										
Carnitine_(C12)	0.0035	0.00283	0.00322	0.00293	0.00185	0.00172	0.00176	0.00146											0.001															
Carnitine_(C16:1_OH)	0.08316	0.1195	0.07396	0.08075	0.08031	0.10019	0.09111	0.07739										0.001		0.001														
Carnitine_(C14:1)	0.04742	0.06338	0.04217	0.04056	0.04661	0.04551	0.04644	0.03473									0.001	0.001	0.002	0.002	0.003	0.003	0.003	0.002	0.001									
Carnitine_(C13)	0.00434	0.00268	0.00354	0.00319	0.00265	0.0031	0.00303	0.00231									0.001		0.001		0.001	0.001	0.001											
Carnitine_(C16:2)	0.00278	0.00174	0.00219	0.00186	0.00301	0.00237	0.00336	0.00186															0.001											
Carnitine_(C18:1_OH)	0.0022	0.00032	0.00032	0.00021	0.00053	0.00041	0.00045	0.00032																										
Carnitine_(C16_OH)	0.00009	0.00014	0.00007	0.00005	0.00001	0.00001		0.00001																										
Carnitine_(C18:3)	0.00637	0.0035	0.00566	0.00284	0.00263	0.00184	0.0022	0.00145									0.001		0.001		0.001		0.001											
Carnitine_(C14)	0.01052	0.00862	0.01065	0.00703	0.00443	0.00416	0.00399	0.00301									0.002	0.001	0.002		0.001		0.001	0.001	0.001									
Carnitine_(C22:5)																																		
Carnitine_(C18:2)	0.01423	0.0079	0.01513	0.00749	0.01005	0.00598	0.0085	0.0049									0.003		0.003	0.001	0.002	0.001	0.003	0.002	0.001									
Carnitine_(C16:1)																																		
Carnitine_(C15)	0.01544	0.00816	0.01875	0.01017	0.0094	0.00806	0.00854	0.00603									0.005	0.001	0.005	0.001	0.003	0.002	0.004	0.003	0.001									
Carnitine_(C18_OH)																																		
Carnitine_(C16)	0.00344	0.00338	0.00444	0.00335	0.00212	0.00207	0.00206	0.00173																										
Carnitine_(C18:1)	0.00507	0.00263	0.00641	0.00301	0.01969	0.01422	0.01945	0.01316									0.004		0.004	0.005	0.013	0.01	0.011	0.006	0.005									
Carnitine_(C17)	0.00748	0.00493	0.01178	0.00497	0.00673	0.00555	0.00655	0.00432									0.007	0.001	0.005	0.001	0.005	0.003	0.006	0.004	0.002									
Carnitine_(C18)	0.00211	0.00128	0.00407	0.00233	0.00142	0.00132	0.00145	0.00109									0.002		0.002		0.001		0.002	0.001	0.001									
Carnitine_(C19)	0.00047	0.00025	0.00037	0.00035	0.00047	0.00045	0.00053	0.00046																										
Carnitine_(C20)	0.0006	0.00035	0.00065	0.00053	0.00038	0.00038	0.00034	0.00035																										
Cer_(d18:1_15:0)																																		
Cer_(d18:0_15:0)																											0.001		0.001	0.001	0.001			
Cer_(d18:0_16:1)																																		
Cer_(d18:1_17:0)																										0.001		0.001						
Cer_(d18:0_16:0)														0.001																				
Cer_(d18:1_18:1)									0.001	0.039		0.015	0.003		0.003	0.002										0.002		0.002	0.002	0.001		0.001	0.001	0.001
Cer_(d18:0_17:0)										0.001	0.001	0.001	0.001		0.001												0.001	0.001						
Cer_(d18:0_18:1)									0.001	0.001	0.001	0.001	0.004	0.003	0.003	0.003										0.002		0.001	0.001	0.002	0.001	0.002	0.001	0.002
Cer_(d18:1_24:2)													0.001													0.001		0.001		0.001	0.001	0.001		
Cer_(d18:0_18:0)													0.001																			0.001		
Cer_(d18:1_20:1)									0.144	0.091	0.116	0.126	0.256	0.178	0.238	0.178										0.136	0.047	0.128	0.064	0.122	0.09	0.148	0.084	0.094
Cer_(d18:1_22:1)									0.204	0.135	0.158	0.163	0.466	0.265	0.361	0.311										0.249	0.083	0.248	0.112	0.188	0.138	0.341	0.191	0.185
Cer_(d18:0_20:1)									0.022	0.019	0.018	0.019	0.058	0.032	0.04	0.037										0.024	0.012	0.023	0.022	0.028	0.018	0.031	0.021	0.02
Cer_(d18:0_20:0)									0.005	0.003	0.006	0.006	0.006	0.003	0.004	0.004										0.008	0.002	0.009	0.003	0.007	0.004	0.009	0.004	0.004
Cer_(d18:0_22:1)									0.009	0.008	0.007	0.006	0.013	0.01	0.011	0.009										0.01	0.002	0.009	0.003	0.006	0.003	0.016	0.009	0.007
Cer_(d18:1_24:1)									0.156	0.126	0.11	0.127	0.27	0.141	0.195	0.167										0.175	0.048	0.173	0.044	0.092	0.051	0.177	0.106	0.105
Cer_(d18:0_22:0)									0.006	0.004	0.006	0.006	0.01	0.005	0.007	0.006										0.012	0.003	0.013	0.003	0.007	0.005	0.02	0.01	0.008
Cer_(d18:0_24:1)									0.002	0.002	0.002	0.002	0.003	0.002	0.002	0.002										0.003		0.002	0.001	0.002	0.001	0.003	0.002	0.001
Cer_(d18:0_24:0)									0.003	0.002	0.003	0.002	0.005	0.003	0.003	0.003										0.006	0.001	0.005	0.001	0.003	0.002	0.005	0.003	0.002
Cer_(d18:1_26:1)									0.02	0.018	0.015	0.016	0.038	0.022	0.028	0.023										0.019	0.007	0.016	0.01	0.018	0.01	0.019	0.013	0.011
Cer_(d18:0_26:1)									0.001	0.001	0.001	0.001	0.002	0.001	0.001	0.001										0.001	0.001	0.001	0.002	0.002	0.001	0.002	0.002	0.002
Cer_(d18:0_26:0)									0.001	0.001	0.001	0.001	0.002	0.001	0.002	0.001										0.002	0.001	0.002	0.001	0.002	0.001	0.002	0.001	0.001
LPC_(12:0)																																		
LPC_(18:2)									0.399	0.176	0.52	0.273	0.325	0.215	0.201	0.189										0.657	0.11	0.636	0.092	0.298	0.16	0.339	0.144	0.131
LPC_(20:5)									0.673	0.189	0.864	0.439	0.438	0.286	0.345	0.279										0.725	0.109	0.718	0.11	0.309	0.181	0.776	0.431	0.296
LPE_(14:0)																																		
LPC_(14:0)									0.014	0.007	0.018	0.016														0.023	0.004	0.019	0.001	0.005	0.003	0.007	0.003	0.003
LPC_(16:1)									0.028	0.013	0.037	0.031	0.172	0.112	0.111	0.109										0.147	0.032	0.129	0.042	0.127	0.078	0.099	0.046	0.042
LPC_(17:1)									0.563	0.307	0.619	0.446	0.277	0.173	0.185	0.168										0.694	0.139	0.794	0.028	0.079	0.052	0.36	0.164	0.132
LPE_(15:0)									0.006	0.003	0.002	0.003	0.005	0.003	0.004	0.004										0.001	0.001	0.001	0.001	0.001	0.001	0.002	0.001	0.001
LPE_(18:2)																										0.018	0.019	0.025	0.01	0.015	0.009	0.013	0.007	0.01
LPE_(16:1)												0.001	0.019	0.01	0.011	0.009										0.001	0.003		0.001	0.002	0.001	0.002	0.001	0.002
LPE_(17:1)									0.023	0.026	0.017	0.026	0.006	0.004	0.01	0.006										0.01	0.014	0.013	0.001	0.003	0.002	0.008	0.006	0.006
LPE_(18:3)									0.007	0.008	0.004	0.007	0.007	0.006	0.007	0.006										0.001	0.002	0.001						
LPE_(20:4)									0.049	0.049	0.035	0.042	0.07	0.064	0.062	0.069										0.029	0.021	0.035	0.02	0.027	0.017	0.015	0.011	0.012
LPE_(20:5)									0.002			0.003	0.004	0.002	0.003											0.015	0.015	0.02	0.008	0.014	0.008	0.012	0.005	0.007
LPC_(15:0)									0.14	0.07	0.169	0.119	0.126	0.093	0.098	0.08										0.206	0.039	0.174	0.029	0.074	0.049	0.093	0.05	0.041
LPC_(16:0)									0.166	0.096	0.194	0.157	0.178	0.121	0.138	0.105										0.183	0.042	0.244	0.03	0.068	0.051	0.06	0.037	0.033
LPC_(18:3)									0.118	0.059	0.135	0.102	0.076	0.057	0.055	0.056										0.172	0.028	0.188	0.028	0.08	0.051	0.088	0.039	0.032
LPE_(16:0)									0.013	0.016	0.009	0.014	0.022	0.016	0.021	0.014										0.007	0.011	0.008	0.002	0.003	0.002	0.034	0.047	0.033
LPC_(13:0)																																		
LPC_(18:1)									0.725	0.39	0.81	0.541	2.543	1.594	1.62	1.457										1.91	0.357	2.216	0.772	2.163	1.415	1.457	0.694	0.613
LPC_(22:6)																																		
LPE_(18:1)									0.108	0.093	0.085	0.093	0.298	0.201	0.238	0.195										0.108	0.1	0.16	0.101	0.156	0.111	0.116	0.092	0.102
LPC_(22:5)									0.019	0.006	0.02	0.008	0.016	0.014	0.011	0.013										0.007		0.006	0.001	0.002	0.001	0.023	0.034	0.021
LPCO_(16:0)																																		
LPC_(17:0)									0.395	0.156	0.434	0.232	0.457	0.347	0.368	0.298										0.372	0.057	0.356	0.069	0.161	0.125	0.162	0.091	0.083
LPE_(22:6)									0.003	0.003	0.004	0.001				0.001																		
LPE_(17:0)									0.044	0.025	0.029	0.028	0.049	0.034	0.037	0.028										0.014	0.007	0.019	0.007	0.014	0.009	0.019	0.012	0.015
LPC_(20:3)									0.207	0.108	0.282	0.164	0.192	0.133	0.125	0.121										0.259	0.042	0.263	0.043	0.125	0.075	0.119	0.054	0.046
LPC_(20:4)									0.404	0.172	0.508	0.272	0.567	0.437	0.375	0.412										0.497	0.074	0.473	0.116	0.316	0.181	0.255	0.111	0.1
LPC_(22:4)									0.01	0.004	0.01	0.006	0.027	0.021	0.018	0.021										0.004		0.003	0.003	0.008	0.005	0.003	0.001	0.002
LPE_(12:0)																																		
LPE_(22:5)									0.004	0.004	0.005	0.005		0.003	0.002	0.004																		
LPC_(18:0)									0.237	0.176	0.226	0.234	0.239	0.185	0.195	0.174										0.17	0.04	0.185	0.036	0.085	0.057	0.093	0.043	0.046
LPE_(18:0)									0.048	0.029	0.036	0.036	0.034	0.023	0.025	0.022										0.021	0.008	0.023	0.006	0.012	0.006	0.019	0.01	0.012
LPEO_(16:0)																																		
LPE_(22:4)																																		
LPC_(19:0)									0.033	0.013	0.031	0.02	0.038	0.027	0.029	0.023																		
LPCO_(18:0)									0.026	0.007	0.012	0.01	0.043	0.024	0.033	0.02										0.028	0.006	0.027	0.006	0.015	0.01	0.018	0.008	0.008
LPE_(19:0)									0.01	0.006	0.008	0.008	0.005	0.005	0.003	0.003										0.011	0.002	0.012	0.005	0.011	0.008	0.009	0.005	0.005
LPE_(20:3)									0.055	0.019	0.035	0.034	0.019	0.014	0.013	0.017										0.006	0.003	0.007	0.002	0.004	0.002	0.005	0.003	0.003
LPEO_(18:0)									0.057	0.028	0.028	0.038	0.072	0.05	0.051	0.043										0.002	0.001	0.003	0.001	0.001		0.002	0.001	0.002
LPE_(20:0)									0.012	0.006	0.009	0.009	0.01	0.007	0.008	0.007										0.025	0.018	0.035	0.016	0.025	0.015	0.038	0.029	0.031
LPEO_(19:0)									0.002	0.001	0.001	0.001	0.005	0.004	0.005	0.003																		
LPE_(22:0)									0.007	0.007	0.007	0.005	0.006	0.004	0.004	0.005										0.009	0.003	0.01	0.003	0.005	0.004	0.008	0.004	0.005
LPE_(20:1)																										0.002		0.003		0.001		0.003	0.002	0.002
LPE_(21:1)									0.006	0.003	0.006	0.005	0.029	0.02	0.015	0.015										0.005	0.002	0.005	0.001	0.002	0.001	0.006	0.004	0.005
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention_index	quantified_m/z
Carnitine_(C0)	0.75	162.11247
Carnitine_(C04_dicarboxylic_acid)	0.81	262.12851
Carnitine_(C02)	0.84	204.12303
Carnitine_(C04_OH)	0.85	248.14925
Carnitine_(C04:1)	0.85	230.13869
Carnitine_(C06_OH)	0.87	276.18054
Carnitine_(C03)	0.88	218.13869
Carnitine_(C03_OH)	0.88	234.1336
Carnitine_(C06:1)	0.88	258.16999
Carnitine_(C03_dicarboxylic_acid)	0.9	248.11286
Carnitine_(C03_methyldicarboxylic_acid)	0.9	262.15851
Carnitine_(C05_dicarboxylic_acid)	0.9	276.14416
Carnitine_(C05_OH)	0.9	262.16489
Carnitine_(C04)	0.91	232.15434
Carnitine_(C03:1)	1.05	216.12303
Carnitine_(C05:1)	1.07	244.15434
Carnitine_(C05)	2.63	246.16999
Carnitine_(C06_dicarboxylic_acid)	2.66	290.15981
Carnitine_(C06)	2.69	260.18564
Carnitine_(C10:1_OH)	2.69	330.2275
Carnitine_(C08_dicarboxylic_acid)	2.7	317.18384
Carnitine_(C10:2)	2.74	298.23767
Carnitine_(C07)	2.75	274.20129
Carnitine_(C08:1)	2.77	286.20129
Carnitine_(C10_OH)	2.8	332.24315
Carnitine_(C08)	2.83	288.21694
Carnitine_(C10_dicarboxylic_acid)	2.87	346.22241
Carnitine_(C09)	2.91	302.23259
Carnitine_(C10:1)	2.91	314.23259
Carnitine_(C12:1_OH)	2.93	358.2588
Carnitine_(C10)	3	316.24824
Carnitine_(C12_OH)	3	360.27445
Carnitine_(C14:1_OH)	3.05	386.2901
Carnitine_(C12:1)	3.09	342.26389
Carnitine_(C11)	3.11	330.26389
Carnitine_(C14:2)	3.2	354.30027
Carnitine_(C18:2_OH)	3.2	440.33705
Carnitine_(C14_OH)	3.21	388.30575
Carnitine_(C12)	3.26	344.27954
Carnitine_(C16:1_OH)	3.45	414.3214
Carnitine_(C14:1)	3.46	370.29519
Carnitine_(C13)	3.5	358.29519
Carnitine_(C16:2)	3.5	396.31084
Carnitine_(C18:1_OH)	3.5	442.3527
Carnitine_(C16_OH)	3.6	416.33705
Carnitine_(C18:3)	3.6	422.32649
Carnitine_(C14)	3.63	372.31084
Carnitine_(C22:5)	3.7	474.35779
Carnitine_(C18:2)	3.8	424.34214
Carnitine_(C16:1)	3.85	389.32649
Carnitine_(C15)	3.88	386.32649
Carnitine_(C18_OH)	4.05	444.36835
Carnitine_(C16)	4.2	400.34214
Carnitine_(C18:1)	4.2	426.35779
Carnitine_(C17)	4.4	414.35779
Carnitine_(C18)	4.8	428.37344
Carnitine_(C19)	5	442.38909
Carnitine_(C20)	5.3	456.40474
Cer_(d18:1_15:0)	3.55	524.5037
Cer_(d18:0_15:0)	3.64	526.5194
Cer_(d18:0_16:1)	3.95	538.5194
Cer_(d18:1_17:0)	4	552.535
Cer_(d18:0_16:0)	4.05	540.535
Cer_(d18:1_18:1)	4.14	564.535
Cer_(d18:0_17:0)	4.3	554.5507
Cer_(d18:0_18:1)	4.3	566.5507
Cer_(d18:1_24:2)	4.31	645.606
Cer_(d18:0_18:0)	4.38	568.5663
Cer_(d18:1_20:1)	4.47	592.5663
Cer_(d18:1_22:1)	4.54	620.5976
Cer_(d18:0_20:1)	4.61	594.582
Cer_(d18:0_20:0)	4.66	596.5976
Cer_(d18:0_22:1)	4.8	622.6133
Cer_(d18:1_24:1)	4.8	648.6289
Cer_(d18:0_22:0)	4.9	624.6289
Cer_(d18:0_24:1)	5.03	650.6446
Cer_(d18:0_24:0)	5.13	652.6602
Cer_(d18:1_26:1)	5.23	676.6602
Cer_(d18:0_26:1)	5.24	678.6759
Cer_(d18:0_26:0)	5.32	680.6915
LPC_(12:0)	0.39	440.2772
LPC_(18:2)	0.41	520.3398
LPC_(20:5)	0.41	542.3241
LPE_(14:0)	0.41	426.2615
LPC_(14:0)	0.43	468.3085
LPC_(16:1)	0.43	494.3241
LPC_(17:1)	0.43	508.3398
LPE_(15:0)	0.43	440.2772
LPE_(18:2)	0.43	478.2928
LPE_(16:1)	0.45	452.2772
LPE_(17:1)	0.45	466.2928
LPE_(18:3)	0.45	476.2772
LPE_(20:4)	0.45	502.2928
LPE_(20:5)	0.45	500.2772
LPC_(15:0)	0.46	482.3241
LPC_(16:0)	0.49	496.3398
LPC_(18:3)	0.49	518.3241
LPE_(16:0)	0.49	454.2928
LPC_(13:0)	0.4	454.2928
LPC_(18:1)	0.5	522.3554
LPC_(22:6)	0.5	568.3398
LPE_(18:1)	0.52	480.3085
LPC_(22:5)	0.53	570.3554
LPCO_(16:0)	0.54	482.3605
LPC_(17:0)	0.54	510.3554
LPE_(22:6)	0.55	526.2928
LPE_(17:0)	0.56	468.3085
LPC_(20:3)	0.58	546.3554
LPC_(20:4)	0.59	544.3398
LPC_(22:4)	0.59	572.3711
LPE_(12:0)	0.39	398.2302
LPE_(22:5)	0.6	528.3085
LPC_(18:0)	0.61	524.3711
LPE_(18:0)	0.64	482.3241
LPEO_(16:0)	0.65	440.3435
LPE_(22:4)	0.69	530.3241
LPC_(19:0)	0.71	538.3867
LPCO_(18:0)	0.73	510.3918
LPE_(19:0)	0.73	496.3398
LPE_(20:3)	0.74	504.3085
LPEO_(18:0)	0.77	468.3448
LPE_(20:0)	0.91	510.3554
LPEO_(19:0)	0.93	482.3605
LPE_(22:0)	1.41	538.3867
LPE_(20:1)	0.67	508.3398
LPE_(21:1)	0.89	521.3481
METABOLITES_END
#END