#METABOLOMICS WORKBENCH KasparasP_20240820_054031 DATATRACK_ID:5127 STUDY_ID:ST003419 ANALYSIS_ID:AN005618 PROJECT_ID:PR002115
VERSION             	1
CREATED_ON             	August 20, 2024, 6:09 am
#PROJECT
PR:PROJECT_TITLE                 	TRAM–LAG1–CLN8 family proteins are acyltransferases regulating phospholipid
PR:PROJECT_TITLE                 	composition
PR:PROJECT_SUMMARY               	The diversity of cellular phospholipids, crucial for membrane homeostasis and
PR:PROJECT_SUMMARY               	function, arises from enzymatic remodeling of their fatty acyl chains. In this
PR:PROJECT_SUMMARY               	work, we reveal that poorly understood TRAM–LAG1–CLN8 domain-containing
PR:PROJECT_SUMMARY               	(TLCD) proteins are phospholipid remodeling enzymes. We demonstrate that TLCD1
PR:PROJECT_SUMMARY               	is an evolutionarily conserved lysophosphatidylethanolamine acyltransferase,
PR:PROJECT_SUMMARY               	which regulates cellular phospholipid composition and generates novel fatty acid
PR:PROJECT_SUMMARY               	and thiamine (vitamin B1) esters as its secondary products. Furthermore, we
PR:PROJECT_SUMMARY               	establish that human TLCD protein CLN8, mutations in which cause fatal
PR:PROJECT_SUMMARY               	neurodegenerative Batten disease, is a lysophosphatidylglycerol acyltransferase.
PR:PROJECT_SUMMARY               	We show that CLN8 catalyzes the essential step in the biosynthesis of
PR:PROJECT_SUMMARY               	bis(monoacylglycero)phosphate, a phospholipid critical for lysosome function.
PR:PROJECT_SUMMARY               	Our study unveils a new family of acyltransferases integral to cellular membrane
PR:PROJECT_SUMMARY               	phospholipid homeostasis and human disease.
PR:INSTITUTE                     	University of Cambridge
PR:LAST_NAME                     	Petkevicius
PR:FIRST_NAME                    	Kasparas
PR:ADDRESS                       	The Keith Peters Building, Cambridge, Cambridgeshire, CB2 0XY, United Kingdom
PR:EMAIL                         	kp416@mrc-mbu.cam.ac.uk
PR:PHONE                         	+447500233355
#STUDY
ST:STUDY_TITLE                   	Analysis of lipid composition of the mitochondria isolated from TLCD1 KO cell
ST:STUDY_TITLE                   	models
ST:STUDY_SUMMARY                 	Untargeted lipidomics analysis was performed on whole cells and isolated
ST:STUDY_SUMMARY                 	mitochondria from control and TLCD1 knockout (KO) cell lines, both of which
ST:STUDY_SUMMARY                 	feature genetically tagged mitochondria.
ST:INSTITUTE                     	University of Cambridge
ST:LAST_NAME                     	Petkevicius
ST:FIRST_NAME                    	Kasparas
ST:ADDRESS                       	The Keith Peters Building, Cambridge, Cambridgeshire, CB2 0XY, United Kingdom
ST:EMAIL                         	kp416@mrc-mbu.cam.ac.uk
ST:PHONE                         	+447500233355
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#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           	-	Cell process blank	Genotype:Process blank | MitoTag:Process blank | Sample source:Process blank | Replicate:Process blank	RAW_FILE_NAME(Raw file name)=MitoIP process blank.raw
SUBJECT_SAMPLE_FACTORS           	-	WholeCell HeLa Wild-Type pool MYC R1	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:1	RAW_FILE_NAME(Raw file name)=HeLa WholeCell WT MYC Tag 1.raw
SUBJECT_SAMPLE_FACTORS           	-	WholeCell HeLa Wild-Type pool MYC R2	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:2	RAW_FILE_NAME(Raw file name)=HeLa WholeCell WT MYC Tag 2.raw
SUBJECT_SAMPLE_FACTORS           	-	WholeCell HeLa Wild-Type pool MYC R3	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:3	RAW_FILE_NAME(Raw file name)=HeLa WholeCell WT MYC Tag 3.raw
SUBJECT_SAMPLE_FACTORS           	-	WholeCell HeLa TLCD1 KO pool MYC R1	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:1	RAW_FILE_NAME(Raw file name)=HeLa WholeCell TLCD1 KO MYC Tag 1.raw
SUBJECT_SAMPLE_FACTORS           	-	WholeCell HeLa TLCD1 KO pool MYC R2	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:2	RAW_FILE_NAME(Raw file name)=HeLa WholeCell TLCD1 KO MYC Tag 2.raw
SUBJECT_SAMPLE_FACTORS           	-	WholeCell HeLa TLCD1 KO pool MYC R3	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:3	RAW_FILE_NAME(Raw file name)=HeLa WholeCell TLCD1 KO MYC Tag 3.raw
SUBJECT_SAMPLE_FACTORS           	-	WholeCell HeLa Wild-Type pool HA R1	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:1	RAW_FILE_NAME(Raw file name)=HeLa WholeCell WT HA Tag 1.raw
SUBJECT_SAMPLE_FACTORS           	-	WholeCell HeLa Wild-Type pool HA R2	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:2	RAW_FILE_NAME(Raw file name)=HeLa WholeCell WT HA Tag 2.raw
SUBJECT_SAMPLE_FACTORS           	-	WholeCell HeLa Wild-Type pool HA R3	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:3	RAW_FILE_NAME(Raw file name)=HeLa WholeCell WT HA Tag 3.raw
SUBJECT_SAMPLE_FACTORS           	-	WholeCell HeLa TLCD1 KO pool HA R1	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:1	RAW_FILE_NAME(Raw file name)=HeLa WholeCell TLCD1 KO HA Tag 1.raw
SUBJECT_SAMPLE_FACTORS           	-	WholeCell HeLa TLCD1 KO pool HA R2	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:2	RAW_FILE_NAME(Raw file name)=HeLa WholeCell TLCD1 KO HA Tag 2.raw
SUBJECT_SAMPLE_FACTORS           	-	WholeCell HeLa TLCD1 KO pool HA R3	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:3	RAW_FILE_NAME(Raw file name)=HeLa WholeCell TLCD1 KO HA Tag 3.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa Wild-Type pool MYC R1	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:1	RAW_FILE_NAME(Raw file name)=HeLa MitoIP WT Myc Tag 1.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa Wild-Type pool MYC R2	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:2	RAW_FILE_NAME(Raw file name)=HeLa MitoIP WT Myc Tag 2.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa Wild-Type pool MYC R3	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:3	RAW_FILE_NAME(Raw file name)=HeLa MitoIP WT Myc Tag 3.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa Wild-Type pool MYC R4	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:4	RAW_FILE_NAME(Raw file name)=HeLa MitoIP WT Myc Tag 4.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa Wild-Type pool MYC R5	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:5	RAW_FILE_NAME(Raw file name)=HeLa MitoIP WT Myc Tag 5.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa Wild-Type pool MYC R6	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:6	RAW_FILE_NAME(Raw file name)=HeLa MitoIP WT Myc Tag 6.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa TLCD1 KO pool MYC R1	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:1	RAW_FILE_NAME(Raw file name)=HeLa MitoIP TLCD1 KO Myc Tag 1.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa TLCD1 KO pool MYC R2	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:2	RAW_FILE_NAME(Raw file name)=HeLa MitoIP TLCD1 KO Myc Tag 2.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa TLCD1 KO pool MYC R3	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:3	RAW_FILE_NAME(Raw file name)=HeLa MitoIP TLCD1 KO Myc Tag 3.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa TLCD1 KO pool MYC R4	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:4	RAW_FILE_NAME(Raw file name)=HeLa MitoIP TLCD1 KO Myc Tag 4.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa TLCD1 KO pool MYC R5	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:5	RAW_FILE_NAME(Raw file name)=HeLa MitoIP TLCD1 KO Myc Tag 5.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa TLCD1 KO pool MYC R6	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:6	RAW_FILE_NAME(Raw file name)=HeLa MitoIP TLCD1 KO Myc Tag 6.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa Wild-Type pool HA R1	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:1	RAW_FILE_NAME(Raw file name)=HeLa MitoIP WT HA Tag 1.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa Wild-Type pool HA R2	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:2	RAW_FILE_NAME(Raw file name)=HeLa MitoIP WT HA Tag 2.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa Wild-Type pool HA R3	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:3	RAW_FILE_NAME(Raw file name)=HeLa MitoIP WT HA Tag 3.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa Wild-Type pool HA R4	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:4	RAW_FILE_NAME(Raw file name)=HeLa MitoIP WT HA Tag 4.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa Wild-Type pool HA R5	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:5	RAW_FILE_NAME(Raw file name)=HeLa MitoIP WT HA Tag 5.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa Wild-Type pool HA R6	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:6	RAW_FILE_NAME(Raw file name)=HeLa MitoIP WT HA Tag 6.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa TLCD1 KO pool HA R1	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:1	RAW_FILE_NAME(Raw file name)=HeLa MitoIP TLCD1 KO HA Tag 1.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa TLCD1 KO pool HA R2	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:2	RAW_FILE_NAME(Raw file name)=HeLa MitoIP TLCD1 KO HA Tag 2.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa TLCD1 KO pool HA R3	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:3	RAW_FILE_NAME(Raw file name)=HeLa MitoIP TLCD1 KO HA Tag 3.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa TLCD1 KO pool HA R4	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:4	RAW_FILE_NAME(Raw file name)=HeLa MitoIP TLCD1 KO HA Tag 4.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa TLCD1 KO pool HA R5	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:5	RAW_FILE_NAME(Raw file name)=HeLa MitoIP TLCD1 KO HA Tag 5.raw
SUBJECT_SAMPLE_FACTORS           	-	MitoIP HeLa TLCD1 KO pool HA R6	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:6	RAW_FILE_NAME(Raw file name)=HeLa MitoIP TLCD1 KO HA Tag 6.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	All the mito-IP steps were conducted using ice-cold buffers either in a
CO:COLLECTION_SUMMARY            	cold-room or on ice and all centrifugation steps were carried out at 4oC. Cells
CO:COLLECTION_SUMMARY            	were washed twice with 30 mL of PBS and then harvested in 1 mL of mito-IP buffer
CO:COLLECTION_SUMMARY            	(10 mM KH2PO4, 137 mM KCl). Cells were collected at 700 x g for 5 min and
CO:COLLECTION_SUMMARY            	resuspended in 1 mL of mito-IP buffer containing protease inhibitors (Thermo
CO:COLLECTION_SUMMARY            	Fisher Scientific, 78429) per 15 cm plate and then lysed using 25 passes through
CO:COLLECTION_SUMMARY            	a Dounce homogeniser. After 1,500 x g centrifugation of the lysate for 10 min, a
CO:COLLECTION_SUMMARY            	post-nuclear supernatant (PNS) was obtained and incubated with 100 μL of
CO:COLLECTION_SUMMARY            	anti-HA magnetic beads (Sigma-Aldrich, SAE0197), previously equilibrated in the
CO:COLLECTION_SUMMARY            	mito-IP buffer. Finally, beads were collected using a magnetic rack, washed
CO:COLLECTION_SUMMARY            	three times with 1 mL of mito-IP buffer for 5 min each, and dried beads were
CO:COLLECTION_SUMMARY            	subsequently frozen in 2 mL glass autosampler vials.
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment, cells were collected under normal growth conditions and
TR:TREATMENT_SUMMARY             	immunoprecipitation was performed as described under 'collection.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The extraction of total lipids from cellular matrices, immunoprecipitated
SP:SAMPLEPREP_SUMMARY            	mitochondria and in vitro assays was conducted employing the butanol-methanol
SP:SAMPLEPREP_SUMMARY            	(BUME) method, as described in detail (37). Note that the chloroform-methanol
SP:SAMPLEPREP_SUMMARY            	lipid extraction methods result in the partitioning of acyl-thiamines into the
SP:SAMPLEPREP_SUMMARY            	polar phase. 2 ml screw cap plastic tubes were used (3469-11, Thermo
SP:SAMPLEPREP_SUMMARY            	Scientific), and a blank extraction was always performed in parallel to account
SP:SAMPLEPREP_SUMMARY            	for the plastic-related contaminants. The extraction commenced with the
SP:SAMPLEPREP_SUMMARY            	homogenization of frozen cell pellets, mitochondrial beads or in vitro assay
SP:SAMPLEPREP_SUMMARY            	mixtures in a 0.5 ml ice-cold solution of butanol to methanol in a 3:1 ratio.
SP:SAMPLEPREP_SUMMARY            	For lipidomics samples, BUME solution was enriched with SPLASH internal standard
SP:SAMPLEPREP_SUMMARY            	mix (330707, Avanti Polar Lipids). For the extraction, a further 0.5 ml of 1%
SP:SAMPLEPREP_SUMMARY            	acetic acid and 0.5 ml of a heptane:ethyl acetate 3:1 mixture were added,
SP:SAMPLEPREP_SUMMARY            	followed by vigorous vortexing for a total of 5 minutes. The mixture was then
SP:SAMPLEPREP_SUMMARY            	centrifuged at 6000 g for 5 minutes, allowing for the separation of phases,
SP:SAMPLEPREP_SUMMARY            	after which the upper organic phase was carefully decanted into glass vials. A
SP:SAMPLEPREP_SUMMARY            	second extraction was conducted on the remaining aqueous phase, with the newly
SP:SAMPLEPREP_SUMMARY            	acquired upper phase being combined in the same glass vials as the first. Post
SP:SAMPLEPREP_SUMMARY            	extraction, the solvents were evaporated under a stream of nitrogen, and the
SP:SAMPLEPREP_SUMMARY            	resultant dry lipid extracts were preserved at −70°C pending further
SP:SAMPLEPREP_SUMMARY            	analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Dried samples were reconstituted in 100 μL of isopropanol, acetonitrile, and
CH:CHROMATOGRAPHY_SUMMARY        	water (2:1:1 ratio) and thoroughly vortexed. Liquid chromatography was conducted
CH:CHROMATOGRAPHY_SUMMARY        	using a Shimadzu HPLC System, with 10 μL of the sample introduced onto a Waters
CH:CHROMATOGRAPHY_SUMMARY        	Acquity Premier UPLC® CSH column (1.7 μm pore size, 2.1 mm × 50 mm), which
CH:CHROMATOGRAPHY_SUMMARY        	was maintained at 55 °C. The mobile phase A comprised a 6:4 ratio of
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile to water with 10 mM ammonium formate, and mobile phase B consisted
CH:CHROMATOGRAPHY_SUMMARY        	of a 9:1 ratio of isopropanol to acetonitrile with 10 mM ammonium formate. A
CH:CHROMATOGRAPHY_SUMMARY        	flow rate of 500 μL per minute was maintained with a gradient protocol for
CH:CHROMATOGRAPHY_SUMMARY        	mobile phase B as follows: 0.00 minutes_40% mobile phase B; 1.5 minutes_40%
CH:CHROMATOGRAPHY_SUMMARY        	mobile phase B; 8.00 minutes_99% mobile phase B; 10.00 minutes_99% mobile phase
CH:CHROMATOGRAPHY_SUMMARY        	B; 10.10 minutes_40% mobile phase B; 12.00 minutes_40% mobile phase. The sample
CH:CHROMATOGRAPHY_SUMMARY        	injection needle was rinsed with a 9:1 isopropanol and acetonitrile solution
CH:CHROMATOGRAPHY_SUMMARY        	(strong wash) and isopropanol, acetonitrile, and water (2:1:1, weak wash).
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Shimadzu 10A
CH:COLUMN_NAME                   	Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um)
CH:SOLVENT_A                     	6:4 of acetonitrile to water with 10 mM ammonium formate
CH:SOLVENT_B                     	9:1 of isopropanol to acetonitrile with 10 mM ammonium formate
CH:FLOW_GRADIENT                 	Gradient protocol for mobile phase B as follows: 0.00 minutes_40% mobile phase
CH:FLOW_GRADIENT                 	B; 1.5 minutes_40% mobile phase B; 8.00 minutes_99% mobile phase B; 10.00
CH:FLOW_GRADIENT                 	minutes_99% mobile phase B; 10.10 minutes_40% mobile phase B; 12.00 minutes_40%
CH:FLOW_GRADIENT                 	mobile phase.
CH:FLOW_RATE                     	500 μL per minute
CH:COLUMN_TEMPERATURE            	55
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	Mass spectrometric detection was carried out on a ThermoFisher Scientific
MS:MS_COMMENTS                   	Q-Exactive Orbitrap equipped with a heated electrospray ionization source. The
MS:MS_COMMENTS                   	mass spectrometer was calibrated immediately before sample analysis using
MS:MS_COMMENTS                   	positive and negative ionization calibration solution (recommended by Thermo
MS:MS_COMMENTS                   	Scientific). The electrospray ionization parameters were optimized with a 50:50
MS:MS_COMMENTS                   	mix of mobile phase A and B for spray stability, setting the capillary
MS:MS_COMMENTS                   	temperature at 300 °C, source heater temperature at 420 °C, with the sheath,
MS:MS_COMMENTS                   	auxiliary, and spare gas flows at specific arbitrary units (40, 15 and 3,
MS:MS_COMMENTS                   	respectively), and source voltage at 4 kV. The mass spectrometer operated at a
MS:MS_COMMENTS                   	scan rate of 4 Hz, yielding a resolution of 35,000 at m/z 200, over a full-scan
MS:MS_COMMENTS                   	range from m/z 120 to 1800, with continuous switching between positive and
MS:MS_COMMENTS                   	negative modes.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	nmol
MS_METABOLITE_DATA_START
Samples	Cell process blank	WholeCell HeLa Wild-Type pool MYC R1	WholeCell HeLa Wild-Type pool MYC R2	WholeCell HeLa Wild-Type pool MYC R3	WholeCell HeLa TLCD1 KO pool MYC R1	WholeCell HeLa TLCD1 KO pool MYC R2	WholeCell HeLa TLCD1 KO pool MYC R3	WholeCell HeLa Wild-Type pool HA R1	WholeCell HeLa Wild-Type pool HA R2	WholeCell HeLa Wild-Type pool HA R3	WholeCell HeLa TLCD1 KO pool HA R1	WholeCell HeLa TLCD1 KO pool HA R2	WholeCell HeLa TLCD1 KO pool HA R3	MitoIP HeLa Wild-Type pool MYC R1	MitoIP HeLa Wild-Type pool MYC R2	MitoIP HeLa Wild-Type pool MYC R3	MitoIP HeLa Wild-Type pool MYC R4	MitoIP HeLa Wild-Type pool MYC R5	MitoIP HeLa Wild-Type pool MYC R6	MitoIP HeLa TLCD1 KO pool MYC R1	MitoIP HeLa TLCD1 KO pool MYC R2	MitoIP HeLa TLCD1 KO pool MYC R3	MitoIP HeLa TLCD1 KO pool MYC R4	MitoIP HeLa TLCD1 KO pool MYC R5	MitoIP HeLa TLCD1 KO pool MYC R6	MitoIP HeLa Wild-Type pool HA R1	MitoIP HeLa Wild-Type pool HA R2	MitoIP HeLa Wild-Type pool HA R3	MitoIP HeLa Wild-Type pool HA R4	MitoIP HeLa Wild-Type pool HA R5	MitoIP HeLa Wild-Type pool HA R6	MitoIP HeLa TLCD1 KO pool HA R1	MitoIP HeLa TLCD1 KO pool HA R2	MitoIP HeLa TLCD1 KO pool HA R3	MitoIP HeLa TLCD1 KO pool HA R4	MitoIP HeLa TLCD1 KO pool HA R5	MitoIP HeLa TLCD1 KO pool HA R6
Factors	Genotype:Process blank | MitoTag:Process blank | Sample source:Process blank | Replicate:Process blank	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:1	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:2	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:3	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:1	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:2	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:3	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:1	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:2	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:3	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:1	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:2	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Whole cell lipidomics | Replicate:3	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:1	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:2	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:3	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:4	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:5	Genotype:Wild-type | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:6	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:1	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:2	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:3	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:4	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:5	Genotype:TLCD1 KO | MitoTag:3xMYC-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:6	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:1	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:2	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:3	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:4	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:5	Genotype:Wild-type | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:6	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:1	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:2	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:3	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:4	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:5	Genotype:TLCD1 KO | MitoTag:3xHA-EGFP-OMP25 | Sample source:Mitochondria IP lipidomics | Replicate:6
PE_(34:1)	0	0.263347693	0.320126307	0.288306356	0.320099395	0.271864654	0.204742207	0.254260403	0.262904546	0.203714641	0.239438863	0.239429087	0.182809493	0.001788139	0.001821444	0.001505596	0.002783417	0.002391701	0.001292807	0.002332948	0.001949354	0.001533608	0.001630839	0.000867346	0.00029352	0.022550037	0.025982315	0.016984383	0.015953559	0.015541245	0.012253462	0.01233143	0.023337314	0.020121245	0.008972075	0.009724465	0.009176758
PE_(34:2)	0	0.036634873	0.034845477	0.028809806	0.013256535	0.009919956	0.012014148	0.021491951	0.033606016	0.02011551	0.003679635	0.011186718	0.008812316	0.000380196	0.000230996	0	0.000164656	0.000315991	0	0	0.00019239	0	1.60218E-06	3.92132E-06	0	0.004660483	0.005187812	0.003612547	0.001678714	0.001921818	0.001030436	0.000815809	0.001404921	0.001087349	0.00032601	0.000743074	0.000240605
PE_(35:1)	0	0.037776717	0.039934708	0.037453533	0.054788809	0.041955647	0.033072791	0.029541007	0.037647975	0.030312127	0.040847224	0.040279256	0.034779412	0.000150858	7.39645E-07	0.000164793	0.000445045	0.000394799	0.000174092	0.000132539	0.000154626	5.98315E-05	0.000428971	0.000222527	0.000206767	0.002726486	0.003241845	0.001908652	0.002901472	0.002588114	0.001959455	0.002023456	0.003467319	0.003016053	0.001805246	0.002032152	0.002163335
PE_(36:1)	0	0.440661421	0.470330014	0.501721605	0.679707703	0.551636034	0.438784674	0.393559311	0.459532584	0.386814709	0.514484603	0.531144389	0.395775024	0.001618546	0.001547584	0.001400315	0.002620002	0.001972569	0.001166522	0.002423489	0.002490727	0.001861667	0.002476271	0.00167977	0.001300871	0.020421459	0.02324479	0.016652201	0.016422074	0.016037649	0.012519452	0.014645878	0.028082973	0.02062358	0.01003076	0.010932515	0.010867927
PE_(36:2)	0	0.325543534	0.381210722	0.340797184	0.218424991	0.177419609	0.139155727	0.264126863	0.341938216	0.277706435	0.15940582	0.155850638	0.147181558	0.002538249	0.002292495	0.001875372	0.00313947	0.003226358	0.001562725	0.001494221	0.001527894	0.001294708	0.001640781	0.000928513	0.000950895	0.025361103	0.025795893	0.017381245	0.018406333	0.018241575	0.0149797	0.008563082	0.016084297	0.01150595	0.005894321	0.006211794	0.005788425
PE_(36:4)	0	0.144397096	0.170892353	0.154617508	0.211641843	0.173254606	0.140758051	0.01863744	0.156993655	0.128547604	0.15935725	0.161044477	0.130691852	0.000549521	0.00065336	0.000397948	0.001338512	0.000733367	0.000275112	0.0007439	0.001009772	0.000735398	0.00104825	0.00054333	6.81988E-05	0.008716136	0.008125714	0.006578789	0.006509241	0.005701445	0.005277343	0.006590507	0.009648951	0.007947657	0.004187676	0.005139219	0.004251552
PE_(36:5)	0	0.030526524	0.032750172	0.034405707	0.025405719	0.016660742	0.016020531	0.025438767	0.032883395	0.028882089	0.015139704	0.019948552	0.010138123	0.000131565	0.000190244	9.88447E-05	2.44308E-05	0.000137714	4.10686E-05	1.96312E-05	0	0	0	0	2.39747E-05	0.001897695	0.001926773	0.001171984	0.001160899	0.001048337	0.00085942	0.000587742	0.000967617	0.000851494	0.00032943	0.000309499	0.000283131
PE_(38:4)	0	0.535088595	0.577456609	0.592706458	0.746581257	0.655061131	0.551761183	0.45166241	0.551948241	0.454260836	0.628779221	0.61124342	0.60864618	0.001782411	0.001173649	0.001502526	0.004668263	0.003351656	0.00174706	0.002763967	0.003501189	0.001850348	0.005173144	0.00263283	0.001922876	0.034344936	0.039178547	0.025334134	0.043967362	0.037232622	0.033947865	0.031045723	0.057957939	0.042380622	0.038646324	0.03831073	0.033735039
PE_(38:5)	0	0.141991861	0.196357383	0.180520405	0.163341775	0.122833267	0.104069627	0.133347997	0.186962553	0.124212686	0.11517421	0.135767264	0.09688991	0.000798459	0.00069196	0.000565893	0.001431483	0.001045294	0.000531689	0.000902945	0.000747845	0.000373598	0.000563483	0.000261615	0.000263108	0.012777874	0.014010691	0.00839134	0.010630435	0.009506338	0.007895103	0.006320727	0.010891304	0.008732489	0.005384217	0.004967982	0.005470213
PE_(38:6)	0	0.09021487	0.105719087	0.103724057	0.121641896	0.108296607	0.085292891	0.084541237	0.099991895	0.08352864	0.099376222	0.101375231	0.074637994	4.21103E-05	0.000194109	0.000125876	0.000414732	0.000270138	0.000154615	0.000287612	0.000272189	0.000186614	6.11954E-05	0.00017502	0.000140561	0.002881443	0.003223337	0.000437116	0.002423811	0.002211143	0.00160866	0.002177165	0.003403422	0.002918247	0.001507535	0.001590631	0.001479702
PE_(40:7)	0	0.003337705	0.006104098	0.003957011	0.007381208	0.004335343	0.004983247	0.0027633	0.005457589	0.003706735	0.005502779	0.004692653	0.005500498	0.000210209	0.000113314	5.65229E-05	0.000271802	0.000271878	0.000103431	0.000177329	0.000308548	0.000143093	0.000302528	6.44027E-05	0.000130763	0.002295016	0.002367795	0.002002116	0.002773634	0.002028705	0.002258717	0.00207134	0.003512148	0.002395874	0.002401366	0.002186759	0.001985635
PC_(28:0)	0	0.078370996	0.069646469	0.075639806	0.085157843	0.075465952	0.061427862	0.066078275	0.077936125	0.062228741	0.062372759	0.060113808	0.048915423	0.000372147	0.00045404	0.00255801	0.001573818	0.000299918	0.000405938	0.002133584	0.002426578	0.000304205	0.000302279	0.000218301	0.001770691	0.000367029	0.000263244	0.00130673	0.000668008	0.000352336	0.000196433	0.001315009	0.000880773	0.000218908	0.000200898	0.001194228	0.000924648
PC_(29:0)	0	0.043773962	0.039096493	0.041288948	0.055253508	0.039332875	0.03642188	0.039079773	0.046845005	0.037477363	0.041445593	0.035932825	0.030731845	0.000140254	0.00017632	0.000789814	0.000504879	9.77386E-05	0.000121614	0.000622267	0.000761317	0.000103331	0.000104312	0.000449319	0.000570051	0.000187873	0.000161744	0.000565096	0.00040798	0.000180235	8.78847E-05	0.000602033	0.000426913	8.85965E-05	7.73168E-05	0.000514195	0.000406109
PC_(30:1)	0	0.184660023	0.164136982	0.161745923	0.224411027	0.162495992	0.139492323	0.155453668	0.178778442	0.149951956	0.14699641	0.129518966	0.117542509	0.000430361	0.000481942	0.003828783	0.002534982	0.000346502	0.000422997	0.002966715	0.003609631	0.000370647	0.000423227	0.001914233	0.002665815	0.000437857	0.00027694	0.003267109	0.000925946	0.000399566	0.000248243	0.002055595	0.002191445	0.000236699	0.00014855	0.001746892	0.001184701
PC_(31:0)	0	0.211508745	0.206337875	0.201130583	0.266775256	0.233851614	0.192783753	0.212855367	0.200399273	0.217050419	0.249200597	0.21958326	0.19704701	0.000774188	0.00078885	0.000586042	0.001435309	0.001136185	0.00054426	0.000906945	0.000826476	0.000747413	0.001180751	0.000669405	0.000580797	0.003829056	0.002656597	0.00193019	0.002885352	0.002992142	0.002427627	0.002613305	0.004099734	0.002740222	0.002671178	0.002268315	0.00225764
PC_(31:1)	0	0.141526394	0.125132251	0.132898514	0.181208594	0.131496231	0.127055138	0.130846734	0.137461776	0.138417883	0.133013101	0.131923109	0.099992367	0.000475877	0.000567236	0.003366611	0.002353404	0.000417122	0.000616583	0.002920901	0.003644525	0.000447206	0.000493646	0.001722092	0.002717184	0.000678607	0.000538665	0.002193982	0.00150179	0.000606085	0.000399437	0.002188954	0.001704332	0.000352632	0.000327314	0.001975406	0.001690461
PC_(32:0)	0	1.641290405	1.500179418	1.519914394	1.729570107	1.503637285	1.318737405	1.342055524	1.513580543	1.486208243	1.526151803	1.420820032	1.247792685	0.010289279	0.009555587	0.007359209	0.015795042	0.011186995	0.008120933	0.010980846	0.010714173	0.00852692	0.011898339	0.007256982	0.007372052	0.040659885	0.036650606	0.024491917	0.0328906	0.034038684	0.030906861	0.027163227	0.043277306	0.033779144	0.024725479	0.023397922	0.026876787
PC_(32:1)	0	2.547208133	2.402899973	2.389896983	2.941168107	2.40013217	2.201642075	2.316578033	2.497912961	2.348328503	2.335775539	2.055319111	1.780665756	0.015391368	0.019196779	0.065285319	0.075911915	0.014286233	0.017132446	0.109654105	0.114064403	0.013536788	0.014014619	0.063897161	0.09164787	0.018141101	0.012766544	0.064495595	0.037061198	0.016592664	0.008704317	0.064515423	0.043828777	0.009721403	0.008110796	0.05585661	0.044473586
PC_(32:2)	0	0.223114828	0.186629121	0.20313388	0.282272685	0.266082118	0.229503698	0.246449336	0.2315573	0.184746104	0.198263135	0.165588605	0.144811895	0.001435153	0.001078468	0.001336857	0.001081438	0.000954333	0.00059265	0.001696986	0.001563433	0.00097516	0.000681581	0.000546205	0.00049082	0.012938414	0.008841411	0.007891827	0.004146101	0.004561174	0.004371382	0.005671326	0.009050075	0.007043757	0.002435155	0.003013941	0.002939316
PC_(33:0)	0	0.109054961	0.101925073	0.102897135	0.120294362	0.096926396	0.08527621	0.098396238	0.104344882	0.094637269	0.113813517	0.087655786	0.084153624	0.000124942	0.000497302	0.000389916	0.000662902	0.000498785	0.000318854	0.000581639	0.000578874	0.000446578	0.000127132	0.000330798	0.000300104	0.002406603	0.002174415	0.000403596	0.001726909	0.001595472	0.001434473	0.001524333	0.002769939	0.002145565	0.001229838	0.001297499	0.001261998
PC_(33:1)	0	0.405176433	0.389135819	0.401986429	0.472592329	0.418310896	0.369492449	0.375783483	0.432493232	0.374364377	0.417183083	0.392307755	0.336782277	0.001535845	0.001981612	0.009527132	0.008094479	0.00131773	0.001548864	0.009482238	0.01178922	0.001156014	0.001282249	0.005325091	0.009163627	0.002327852	0.002084435	0.008578838	0.006299479	0.002075607	0.001328416	0.008034709	0.006784739	0.001156567	0.000990873	0.006771008	0.006154128
PC_(34:0)	0	0.261579519	0.219906038	0.235095211	0.265453288	0.221327761	0.201115062	0.211790226	0.263785738	0.232835208	0.25897265	0.231179602	0.197206389	0.000760798	0.000649402	0.000546211	0.001513272	0.001056787	0.000699355	0.000843303	0.000805531	0.000740488	0.001290489	0.000733204	0.00060146	0.003002874	0.002554413	0.001818592	0.003242383	0.00295368	0.002664524	0.002175866	0.00373789	0.002618981	0.002746543	0.00261267	0.002573398
PC_(34:1)	0	3.417326375	3.247244724	3.272832968	3.751823007	3.043930407	3.123869575	3.11934547	3.394003224	3.237353395	3.333730161	3.150943878	2.664980512	0.036149096	0.034060729	0.03027648	0.051340638	0.04250392	0.026979263	0.041650294	0.039777478	0.032828524	0.038347594	0.025117373	0.0257876	0.232012294	0.214535221	0.138861148	0.152618966	0.168893078	0.146203126	0.162602447	0.240004725	0.188667955	0.103733992	0.11073363	0.114157498
PC_(34:2)	0	1.29098311	1.183618229	1.18973014	1.49009448	1.219533575	1.105092948	1.143723504	1.259644048	1.139077228	1.21551357	1.073455342	0.931246209	0.001804603	0.002273365	0.006108667	0.008570246	0.00705861	0.004179884	0.008045919	0.00779611	0.00673249	0.001483865	0.003721184	0.003732347	0.061147282	0.057671036	0.010040797	0.031199321	0.010229506	0.029354959	0.035732813	0.055603905	0.041072406	0.018785349	0.022672157	0.022931732
PC_(34:3)	0	0.102091294	0.089064503	0.092277555	0.126393592	0.095420141	0.091289168	0.093480568	0.098730133	0.095574032	0.091914623	0.089511406	0.069280697	0.000515328	0.000532222	0.003351258	0.002073675	0.000472612	0.000488058	0.003140083	0.003017142	0.00042294	0.000442708	0.002052442	0.002126066	0.000516599	0.000386094	0.001669973	0.001145519	0.00051009	0.00035903	0.001783441	0.001207145	0.000279551	0.000274887	0.001538899	0.001281063
PC_(35:0)	0	0.009980505	0.008795741	0.009476796	0.011700222	0.009880146	0.00840047	0.008913214	0.009420995	0.00890685	0.010629816	0.009216009	0.007521356	1.25448E-05	2.40038E-06	1.0098E-05	3.15278E-05	1.62262E-05	0	1.55281E-05	1.95605E-05	6.27905E-06	1.66884E-05	5.45562E-06	1.38544E-05	0.00010008	7.93756E-05	5.35851E-05	7.55702E-05	6.34322E-05	5.0086E-05	6.26485E-05	0.000136062	9.35794E-05	5.23902E-05	4.78056E-05	3.93614E-05
PC_(35:1)	0	0.209389377	0.191776131	0.183209899	0.235202049	0.190361212	0.184728393	0.182569812	0.159547196	0.183556015	0.203683798	0.181448435	0.171849627	0.000286741	0.000259458	0.000266083	0.001399982	0.001218633	0.000446186	0.000473175	0.000514023	0.000405373	0.000841862	0.000644964	0.000269932	0.002354316	0.002247242	0.001207886	0.004329327	0.004283492	0.002851443	0.002288298	0.003252929	0.002323242	0.003276076	0.003696628	0.003379085
PC_(35:2)	0	0.22193236	0.202333204	0.204364923	0.246365993	0.210559739	0.188518371	0.205724201	0.215678793	0.19646527	0.216467379	0.190144786	0.175342156	0.000776224	0.001006667	0.000779515	0.001355576	0.001201703	0.000173458	0.001106312	0.000967552	0.000898268	0.001223847	0.000837957	0.000840036	0.005361285	0.004993191	0.00327754	0.00449523	0.004339066	0.003917818	0.004210442	0.006459902	0.004796664	0.003657638	0.003837655	0.003840595
PC_(36:1)	0	0.918488718	0.81882569	0.869816434	1.030148548	0.871468502	0.791367746	0.786153709	0.923797668	0.856042353	0.917866238	0.864127834	0.686710162	0.0030099	0.002849109	0.00250397	0.005662577	0.004118025	0.002631929	0.003530654	0.003731745	0.003091307	0.004630777	0.002749812	0.002406947	0.018661652	0.016693314	0.011230628	0.015785205	0.015463473	0.014654141	0.014009951	0.022947063	0.017653219	0.012115588	0.013013473	0.013414902
PC_(36:2)	0	1.462805718	1.428618694	1.484801911	1.685416475	1.345023768	1.223438863	1.391094987	1.486852935	1.375658055	1.428769698	1.220695176	1.145254865	0.01045767	0.009616635	0.009273383	0.014347355	0.01255339	0.007450139	0.012663209	0.011688776	0.009717993	0.01118004	0.00731116	0.006937357	0.088966934	0.080867203	0.015909138	0.054378682	0.05381324	0.050684177	0.05472878	0.088873219	0.066869999	0.034866247	0.040285573	0.040301656
PC_(36:3)	0	0.282774064	0.273888102	0.289431151	0.360788357	0.285267187	0.272084668	0.276632185	0.272940477	0.245619902	0.301345646	0.276728341	0.241689755	0.000868627	0.001041611	0.008444365	0.005167265	0.000725637	0.000962452	0.00670332	0.008838913	0.000757164	0.000778278	0.00436349	0.005775996	0.001172996	0.001040263	0.005204817	0.00627883	0.001102134	0.000619058	0.004934673	0.003958466	0.000499451	0.000487024	0.004095372	0.003821498
PC_(36:4)	0	0.560732072	0.535932395	0.533292788	0.578686899	0.499517209	0.469492414	0.54137746	0.529651027	0.530310884	0.53125615	0.476708687	0.405643113	0.001156188	0.001397654	0.012852784	0.008561616	0.001033376	0.001160132	0.012591625	0.012668343	0.000969924	0.001070851	0.006087418	0.009942436	0.002395341	0.001684386	0.010629889	0.007455259	0.001843058	0.000926453	0.009788446	0.007594679	0.000898853	0.00083708	0.008584396	0.007116043
PC_(36:5)	0	0.304208584	0.226015375	0.268871905	0.302696383	0.255213358	0.231285705	0.267240875	0.256899462	0.276321808	0.247569996	0.240581206	0.201036111	0.000266862	0.000401771	0.002905768	0.002608607	0.000253809	0.000365119	0.003004889	0.003880179	0.000289749	0.000266344	0.001612908	0.002736562	0.000895095	0.000584081	0.003337831	0.003066497	0.000600448	0.000318629	0.00272972	0.002566682	0.00029274	0.000249937	0.002531965	0.002375862
PC_(37:1)	0	0.030256562	0.026704516	0.027483178	0.036447334	0.029467782	0.024494105	0.027717253	0.028113338	0.026235421	0.029406256	0.025833792	0.021185696	1.80076E-05	1.90752E-05	1.22558E-05	9.27159E-05	5.85752E-05	1.62127E-05	2.78523E-05	2.41074E-05	1.88954E-05	6.64275E-05	3.28804E-05	9.85629E-06	0.000389329	0.00030956	0.000172193	0.000346665	0.000353506	0.000314453	0.000277007	0.000477668	0.000361453	0.000257182	0.0002646	0.000266927
PC_(37:2)	0	0.071584265	0.065023404	0.062410601	0.082284194	0.066961785	0.059647392	0.061095454	0.069299405	0.059688508	0.064905331	0.059567946	0.054552338	0.000164161	0.000153262	0.00013322	0.00038599	0.000301885	0.000129941	0.000218247	0.000253493	0.000164963	0.000308028	0.000145886	0.00013922	0.001775638	0.001647526	0.00097005	0.001565429	0.001524608	0.001228256	0.001275954	0.002092588	0.001382636	0.000875001	0.001178842	0.001025058
PC_(37:3)	0	0.017660087	0.014250974	0.012737893	0.01789295	0.016274157	0.013917509	0.015061212	0.015461223	0.015411915	0.016412272	0.015185902	0.012401316	1.86339E-05	2.50628E-05	1.70975E-05	2.20938E-05	2.28008E-05	6.33509E-06	2.1636E-05	2.76374E-05	1.5871E-05	3.98498E-05	1.9705E-05	1.36394E-05	0.000241386	0.000160633	0.000213152	0.00025695	0.000168318	0.000156232	0.000237872	0.000188122	0.000141229	0.000184715	0.000187522	0.000206472
PC_(37:4)	0	0.02479125	0.022306847	0.023217142	0.022952626	0.024107917	0.019833732	0.023825341	0.023423888	0.022331429	0.024675638	0.021750937	0.021715762	5.29961E-06	2.35639E-05	0.000161932	0.000158552	0	0	0.000222881	0.000277479	0	5.82718E-06	7.13679E-05	0.000212672	9.39015E-05	3.90225E-05	0.00032117	0.000343287	4.05853E-05	1.18506E-05	0.000263648	0.000265517	1.58094E-05	1.88034E-05	0.000240059	0.000215048
PC_(38:1)	0	0.028498895	0.025466399	0.028187082	0.034790611	0.026692318	0.024962344	0.024155449	0.030528087	0.025168769	0.025074879	0.026637234	0.020160142	1.46424E-05	3.2336E-05	1.45428E-05	4.37314E-05	3.25261E-05	1.44077E-05	4.93287E-05	3.35815E-05	1.70521E-05	5.10232E-05	1.38431E-05	0	0.000409348	0.000352036	0.000262991	0.000301147	0.000367298	0.000300061	0.000270948	0.000469169	0.000398658	0.000235485	0.000259926	0.000165391
PC_(38:2)	0	0.184722284	0.159146417	0.171049938	0.215437433	0.174894382	0.157646582	0.147665314	0.172721194	0.153748453	0.160706341	0.150882132	0.117440827	0.00068955	0.00064842	0.000611157	0.000901119	0.000720512	0.00047011	0.00078543	0.000796359	0.000649324	0.000644304	0.000420926	0.000397362	0.005347368	0.005045788	0.003360022	0.002927245	0.003075463	0.002850218	0.003265635	0.005547699	0.004139633	0.001705726	0.002089614	0.002210703
PC_(38:3)	0	0.104550088	0.077407912	0.098814257	0.098114911	0.096073052	0.086032124	0.098197251	0.099573664	0.099244162	0.094914598	0.083147061	0.077761558	0.00029087	0.000281633	0.0002725	0.00053465	0.000403376	0.000206364	0.000391313	0.000362359	0.000291333	0.000313659	0.000228731	0.000205854	0.003252873	0.00324957	0.001988207	0.001977519	0.002135883	0.00204771	0.001975139	0.003113491	0.002341022	0.001578569	0.001548965	0.001404811
PC_(38:4)	0	0.237821418	0.231896959	0.250147591	0.251155563	0.212954005	0.188304532	0.239291416	0.24752214	0.243276406	0.265246397	0.22040112	0.215530917	0.000420712	0.000326703	0.000422111	0.001497978	0.000959894	0.000516448	0.000543328	0.00049629	0.000430155	0.001315008	0.000619979	0.000505212	0.003433443	0.003286365	0.002071362	0.005705601	0.004637863	0.004390122	0.002989568	0.004940172	0.003275404	0.0054673	0.004754624	0.003934155
PC_(38:5)	0	0.088546043	0.093467499	0.097918704	0.093361729	0.090861364	0.084462612	0.095120863	0.103968599	0.088850837	0.09846689	0.10134519	0.083206052	3.1748E-06	5.558E-05	0.000768706	0.000739985	1.59575E-05	4.97199E-05	0.000848289	0.00116859	3.74517E-05	1.50393E-05	0.00035766	0.001161	0.000412824	0.000304782	0.001548923	0.001615785	0.000145176	4.06434E-05	0.001144205	0.001245923	4.92904E-07	1.85143E-05	0.001115533	0.000971776
PC_(40:2)	0	0.021301724	0.019771429	0.021497762	0.027112314	0.021125935	0.01935605	0.018157949	0.022327746	0.018842618	0.018623662	0.01925593	0.014305455	0.000106502	0.000142062	2.06687E-05	6.85471E-05	4.97851E-05	6.52256E-05	0.00011437	8.25674E-05	3.29467E-05	6.98641E-05	5.23597E-05	1.16842E-05	0.00056512	0.00052281	0.000326455	0.000309861	0.000385825	0.000340263	0.000390341	0.000625457	0.000457227	0.000244922	0.000241228	0.000221609
PC_(40:4)	0	0.042326643	0.032687681	0.065246642	0.053100769	0.036080073	0.061680843	0.027039022	0.039037262	0.058518786	0.069332211	0.060595158	0.053280539	3.90192E-05	5.18719E-05	6.56599E-05	0.000178506	0.000290017	3.26473E-05	0.000104559	7.85633E-05	4.17653E-05	0.000290011	4.4921E-05	7.53901E-05	0.000496065	0.000589751	0.000234526	0.000502428	0.000720658	0.000375092	0.000480592	0.000823616	0.000559367	0.000970241	0.000590614	0.000572182
PC_(40:6)	0	0.091911803	0.08481479	0.083251472	0.101589135	0.088331748	0.074096196	0.07845406	0.091809467	0.085118544	0.0940409	0.085357118	0.07613324	0.000121122	0.000104891	9.81717E-05	0.000530311	0.000258843	0.000130917	0.000149652	0.000154728	0.000127137	0.000417504	0.00015958	0.000165811	0.001022803	0.001075419	0.000568043	0.001697116	0.0014733	0.001434766	0.000957102	0.001440807	0.001067356	0.001817448	0.001556888	0.001426068
PC_(40:7)	0	0.002495385	0.000556039	0.001955166	0.001830142	0.002304952	0.002291787	0.002741063	0.001948961	0.002414844	0.00186405	0.001950241	0.002607278	1.92916E-07	0	0	0	0	0	9.44456E-08	1.0012E-07	0	8.03424E-06	0	0	0.000217339	0.000145605	0.000181475	9.39845E-05	0.00017618	7.24733E-05	6.02343E-05	0.00021247	0.000101869	7.4559E-05	4.68477E-05	8.36132E-05
CL_(66:03)	0	0.000664433	0.000688892	0.001072201	0.000775138	0.00072569	0.000738861	0.00066663	0.000820799	0.000673668	0.00072882	0.000872119	0.000630394	0	0	0	0	0	0	0	0	0	0	0	0	0.000401422	0.000548193	0.000389743	0.000261364	0.000263803	0.000230324	0.000377246	0.000536651	0.000423247	9.48804E-05	0.000126301	0.000184781
CL_(66:04)	0	0.000551156	0.000633262	0.000776885	0.000751251	0.000553361	0.000467903	0.000471025	0.000708939	0.000557151	0.000594467	0.00045289	0.000409509	0	0	0	0	0	0	0	0	0	0	0	0	0.000505052	0.000533814	0.000360809	0.000224281	0.00021328	0.000175589	0.000273152	0.000417046	0.000310497	9.13748E-05	8.44365E-05	0.000138237
CL_(68:02)	0	0.000983913	0.001240968	0.001530535	0.001433475	0.001044898	0.001073309	0.001105763	0.001447573	0.001344316	0.001313441	0.001310631	0.001222024	0	0	0	0	0	0	0	0	0	0	0	0	0.000378065	0.00049327	0.000271155	0.000398352	0.000332953	0.000270067	0.000332753	0.000474619	0.000359457	0.00022593	0.000272979	0.000199499
CL_(68:03)	0	0.001118508	0.001304208	0.001638259	0.001355136	0.001344545	0.001277719	0.001123481	0.001539746	0.001227486	0.001317901	0.001342791	0.001254268	0	8.07631E-06	0	0	0	0	0	0	0	6.79133E-06	0	0	0.000605883	0.000856944	0.000460677	0.000489907	0.000464627	0.000345291	0.000507929	0.000684843	0.000611436	0.000332924	0.000321832	0.000359289
CL_(68:04)	0	0.003372774	0.003633793	0.005158291	0.004261874	0.00377662	0.003557478	0.003203127	0.004526912	0.00342521	0.00368941	0.004210811	0.003297294	3.57119E-05	4.16915E-05	3.74872E-05	3.01895E-05	7.13974E-05	0	5.09846E-05	8.23959E-05	4.55078E-05	3.06533E-05	3.36105E-05	8.9053E-06	0.002071554	0.002785201	0.001853202	0.001405558	0.001293641	0.001088641	0.001624952	0.002513063	0.002005601	0.000540515	0.000795596	0.000855975
CL_(68:05)	0	0.001187466	0.001395842	0.001613436	0.001725167	0.001348573	0.001149149	0.001096217	0.001622843	0.001307495	0.001421794	0.001353698	0.000991189	0	0	0	3.03117E-05	1.59477E-05	0	0	6.32056E-06	0	8.07272E-06	6.72853E-06	0	0.000672423	0.000789415	0.000509538	0.000513566	0.00043356	0.00039246	0.000513909	0.000631475	0.000559468	0.000209778	0.000271663	0.000359589
CL_(69:04)	0	0.000728452	0.000760871	0.001054019	0.001101925	0.00099035	0.00090752	0.000751105	0.000998574	0.000914051	0.000879672	0.000987988	0.000798794	0	0	0	0	0	0	0	0	0	0	0	0	0.000364208	0.000439555	0.000195724	0.000243994	0.00025366	0.00017709	0.000331539	0.000404074	0.000342795	0.000121153	0.000198332	0.000160468
CL_(69:05)	0	0.000359539	0.000450055	0.000703582	0.000641904	0.000512196	0.000475029	0.000390806	0.000578603	0.00042276	0.000688918	0.000701755	0.000502077	0	0	0	0	0	0	0	0	0	0	0	0	0.000151116	0.000158435	7.64813E-05	0.000113552	6.41286E-05	8.71386E-05	0.000134594	0.000216518	0.000162562	6.16904E-05	7.77816E-05	0.000105913
CL_(70:03)	0	0.000736867	0.00081826	0.001065501	0.001149724	0.000813357	0.00084461	0.000764527	0.001149127	0.000984232	0.000892733	0.000988639	0.000929534	0	0	0	0	0	0	0	0	0	0	0	0	0.000314349	0.000376511	0.000228358	0.000254214	0.000266811	0.000177321	0.000248884	0.000340553	0.000290682	0.000177143	0.000182655	0.000180472
CL_(70:04)	0	0.003132316	0.00349918	0.004193804	0.00370908	0.003559242	0.003459486	0.00289429	0.004495857	0.003317239	0.003496931	0.003519755	0.003277659	3.55696E-05	3.24208E-05	4.46882E-05	7.28105E-05	7.55223E-05	9.61003E-06	5.29662E-05	5.05303E-05	9.15841E-06	3.54009E-05	1.99627E-05	1.22721E-05	0.00161804	0.002140336	0.00117011	0.001364652	0.001250589	0.001006917	0.001465296	0.001928749	0.001632878	0.000875786	0.000860769	0.001002521
CL_(70:07)	0	0.000745986	0.000663235	0.001008854	0.000833081	0.000846289	0.000722409	0.00073658	0.000915299	0.000735845	0.000778785	0.000811428	0.000661791	0	0	0	0	0	0	0	0	0	0	0	0	0.000333693	0.000513989	0.000274351	0.000200839	0.000197846	0.000186398	0.000333599	0.000471374	0.000326936	6.90707E-05	9.03967E-05	0.000104868
CL_(71:04)	0	0.000334059	0.000417931	0.000576868	0.000578062	0.000493493	0.000451893	0.000342052	0.000626299	0.000433933	0.000620021	0.000531874	0.000409538	0	0	0	0	0	0	0	0	0	0	0	0	7.90169E-05	0.000166841	3.3339E-05	0.000114887	5.79839E-05	9.1828E-05	6.12122E-05	0.000117691	0.000178909	7.70333E-05	0.000105723	7.56776E-05
CL_(71:05)	0	0.000699795	0.000727839	0.001012225	0.001026518	0.000926794	0.000831341	0.000744254	0.000994672	0.000861476	0.000970824	0.001084502	0.000923759	0	0	0	0	0	0	0	0	0	0	0	0	0.000189427	0.000246732	0.000115553	0.000220214	0.000216695	0.000155432	0.000255642	0.000259773	0.00023682	0.000156794	0.000204121	0.000193497
CL_(72:04)	0	0.000950367	0.00107628	0.001382778	0.001494662	0.001056504	0.000980305	0.001049707	0.00134598	0.001148661	0.001313236	0.0012848	0.001145294	0	0	0	0	0	0	0	0	0	0	0	0	0.000408735	0.000515084	0.000303314	0.000320525	0.000318994	0.000245789	0.000399484	0.000537918	0.000435251	0.000155935	0.000284199	0.00022512
CL_(72:05)	0	0.002194087	0.002499272	0.0030535	0.003050374	0.002672103	0.002704002	0.002212531	0.003535963	0.002498586	0.003073595	0.002976168	0.002744064	0	0	7.21581E-06	5.58942E-05	3.96136E-05	0	0	1.53142E-05	0	2.74955E-05	0	0	0.000861282	0.00108898	0.00057273	0.000964121	0.00088722	0.000719077	0.000886893	0.001223702	0.000919254	0.000673953	0.000723343	0.00087477
CL_(72:07)	0	0.000759519	0.000818008	0.00103753	0.000982985	0.000902944	0.000894882	0.000749143	0.001136538	0.000794104	0.000887912	0.000830973	0.000753074	0	0	0	0	0	0	0	0	0	0	0	0	0.000316149	0.000371243	0.000217249	0.000168283	0.000210873	0.000132745	0.000251189	0.000379121	0.000273353	0.000117017	9.34409E-05	0.000134442
CL_(72:08)	0	0.001219775	0.001190938	0.001462685	0.001426285	0.001255517	0.001225752	0.001086409	0.001527547	0.001312743	0.001328279	0.001461372	0.001233071	0	0	0	0	0	0	0	0	0	0	0	0	0.000349633	0.000461676	0.000275204	0.000294238	0.00027801	0.000210376	0.000332832	0.000521474	0.000362812	0.000123325	0.000197975	0.000174967
CL_(72:09)	0	0.000338698	0.000350797	0.000476644	0.000431765	0.000417862	0.000309543	0.000300159	0.000477472	0.000392771	0.000400919	0.000402939	0.000322642	0	0	0	0	0	0	0	0	0	0	0	0	8.51299E-05	8.17579E-05	2.95165E-05	5.70508E-05	2.79265E-05	5.29032E-05	4.56267E-05	0.000105406	7.92826E-05	4.7543E-05	4.8947E-05	5.31905E-05
CL_(74:08)	0	0.00052081	0.000622567	0.000734414	0.000730726	0.000690247	0.000687163	0.000578628	0.000834627	0.000677446	0.00068191	0.000720764	0.000689979	0	0	0	0	0	0	0	0	0	0	0	0	0.000137872	0.000212063	7.64792E-05	0.000117869	0.000133951	7.99843E-05	0.000147229	0.000272176	0.000181672	5.41276E-05	9.45184E-05	8.10747E-05
CL_(74:09)	0	0.000711856	0.000746642	0.000838468	0.000939262	0.000761825	0.000748107	0.000610517	0.000958209	0.000780104	0.000843439	0.000969902	0.000840205	0	0	0	0	0	0	0	0	0	0	0	0	0.000143922	0.000166082	7.65719E-05	0.000165409	0.000103351	9.45943E-05	9.90383E-05	0.000173156	0.000119624	9.17957E-05	0.000160873	8.12616E-05
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	m/z [M+H]+	Average Rt(min)
PE_(34:1)	718.53748	4.718
PE_(34:2)	716.51257	4.226
PE_(35:1)	732.54883	4.96
PE_(36:1)	746.57025	5.179
PE_(36:2)	744.54633	4.748
PE_(36:4)	740.52222	4.184
PE_(36:5)	738.50525	3.74
PE_(38:4)	768.55365	4.741
PE_(38:5)	766.53766	4.265
PE_(38:6)	764.52191	4.066
PE_(40:7)	790.53632	4.748
PC_(28:0)	678.50745	3.086
PC_(29:0)	692.52307	3.476
PC_(30:1)	704.52277	3.192
PC_(31:0)	720.55438	4.2
PC_(31:1)	718.53833	3.623
PC_(32:0)	734.56995	4.517
PC_(32:1)	732.55438	3.982
PC_(32:2)	730.53888	3.445
PC_(33:0)	748.58588	4.704
PC_(33:1)	746.57068	4.292
PC_(34:0)	762.6015	5.015
PC_(34:1)	760.58539	4.581
PC_(34:2)	758.56989	4.135
PC_(34:3)	756.55414	3.623
PC_(35:0)	776.617	5.156
PC_(35:1)	774.6004	4.839
PC_(35:2)	772.58563	4.389
PC_(36:1)	788.61737	5.063
PC_(36:2)	786.60101	4.653
PC_(36:3)	784.58502	4.238
PC_(36:4)	782.56921	4.026
PC_(36:5)	780.55432	3.627
PC_(37:1)	802.63214	5.244
PC_(37:2)	800.61615	4.873
PC_(37:3)	798.60083	4.49
PC_(37:4)	796.58496	4.339
PC_(38:1)	816.64148	5.457
PC_(38:2)	814.6311	5.087
PC_(38:3)	812.61639	4.733
PC_(38:4)	810.6001	4.621
PC_(38:5)	808.58472	4.299
PC_(40:2)	842.66296	5.482
PC_(40:4)	838.63239	4.981
PC_(40:6)	834.60059	4.517
PC_(40:7)	832.58246	4.42
CL_(66:03)	1373.94629	6.526
CL_(66:04)	1371.93323	6.363
CL_(68:02)	1403.995	6.861
CL_(68:03)	1401.97913	6.704
CL_(68:04)	1399.96179	6.54
CL_(68:05)	1397.94861	6.395
CL_(69:04)	1413.98193	6.63
CL_(69:05)	1411.9624	6.488
CL_(70:03)	1430.01099	6.866
CL_(70:04)	1427.99573	6.717
CL_(70:07)	1421.94458	6.541
CL_(71:04)	1442.01807	6.793
CL_(71:05)	1439.99561	6.651
CL_(72:04)	1456.02759	6.88
CL_(72:05)	1454.01086	6.737
CL_(72:07)	1449.97754	6.718
CL_(72:08)	1447.96167	6.569
CL_(72:09)	1445.94592	6.424
CL_(74:08)	1475.99304	6.737
CL_(74:09)	1473.97534	6.594
METABOLITES_END
#END