#METABOLOMICS WORKBENCH manjari1_20240713_133923 DATATRACK_ID:5007 STUDY_ID:ST003388 ANALYSIS_ID:AN005555 PROJECT_ID:PR002099
VERSION             	1
CREATED_ON             	August 7, 2024, 8:23 pm
#PROJECT
PR:PROJECT_TITLE                 	PIP4K2C inhibition reverses autophagic flux impairment induced by SARS-CoV-2
PR:PROJECT_TYPE                  	Lipidomics of Human lung epithelial cells
PR:PROJECT_SUMMARY               	In this study, we calculated the peak area abundance of phosphoinositide lipids
PR:PROJECT_SUMMARY               	in SARS-Cov2 infected, uninfected and dual lipid kinase (PIP4K2C and PIKfyve)
PR:PROJECT_SUMMARY               	inhibitor treated (RMC-113,) (PI, PIP, PIP2 and PIP3) Human lung epithelial
PR:PROJECT_SUMMARY               	cells. We discovered PIP4K2C’s (Phosphatidylinositol-5-phosphate 4-kinase,
PR:PROJECT_SUMMARY               	type II, gamma) roles in SARS-CoV-2 entry, RNA replication, and assembly/egress,
PR:PROJECT_SUMMARY               	validating it as a druggable antiviral target. Integrating proteomics,
PR:PROJECT_SUMMARY               	single-cell transcriptomics, and functional assays revealed that PIP4K2C binds
PR:PROJECT_SUMMARY               	SARS-CoV-2 proteins and regulates virus-induced impairment of autophagic flux.
PR:PROJECT_SUMMARY               	Reversing this autophagic flux impairment is a mechanism of antiviral action of
PR:PROJECT_SUMMARY               	RMC-113(dual lipid kinase inhibitor (PIP4K2C and PIKfyve). These findings reveal
PR:PROJECT_SUMMARY               	virus-induced autophagy regulation via PIP4K2C, an understudied kinase, and
PR:PROJECT_SUMMARY               	propose dual inhibition of PIP4K2C (Phosphatidylinositol-5-phosphate 4-kinase,
PR:PROJECT_SUMMARY               	type II, gamma) and PIKfyve (a FYVE finger-containing phosphoinositide kinase)
PR:PROJECT_SUMMARY               	as a candidate strategy to combat emerging viruses.
PR:INSTITUTE                     	Stanford School of Medicine
PR:DEPARTMENT                    	medicine
PR:LABORATORY                    	Einav lab
PR:LAST_NAME                     	mishra
PR:FIRST_NAME                    	manjari
PR:ADDRESS                       	3332 middlefield road
PR:EMAIL                         	manjari1@stanford.edu
PR:PHONE                         	6503849709
PR:FUNDING_SOURCE                	NIH
PR:PUBLICATIONS                  	https://www.biorxiv.org/content/10.1101/2024.04.15.589676v1.full
PR:CONTRIBUTORS                  	Marwah Karim, Manjari Mishra, Chieh-Wen Lo, Sirle Saul, Halise Busra Cagirici,
PR:CONTRIBUTORS                  	Do Hoang Nhu Tran, Aditi Agrawal, Luca Ghita, Amrita Ojha, Michael P. East,
PR:CONTRIBUTORS                  	Karen Anbro Gammeltoft, Malaya Kumar Sahoo, Gary L. Johnson, Soumita Das, Dirk
PR:CONTRIBUTORS                  	Jochmans, Courtney A. Cohen, Judith Gottwein, John Dye, Norma Neff, Benjamin A.
PR:CONTRIBUTORS                  	Pinsky, Tuomo Laitinen, Tatu Pantsar, Antti Poso, Fabio Zanini, Steven De
PR:CONTRIBUTORS                  	Jonghe, Christopher R M Asquith, Shirit Einav
#STUDY
ST:STUDY_TITLE                   	RMC-113 (dual-lipid kinase inhibitor, PIKfyve, PIP4K2C) alters the
ST:STUDY_TITLE                   	phosphoinositide regioisomer signature by advanced lipidomics analysis
ST:STUDY_TYPE                    	lipid stduy of phosphoinostide lipids
ST:STUDY_SUMMARY                 	To determine whether RMC-113 treatment impacts phosphoinositide abundance, lipid
ST:STUDY_SUMMARY                 	extracts derived from uninfected and SARS-CoV-2-infected A549-ACE2 cells were
ST:STUDY_SUMMARY                 	subject to lipidomic analysis. Employing Phosphoinositide Regioisomer
ST:STUDY_SUMMARY                 	Measurement by Chiral column chromatography and Mass Spectrometry (PRMC-MS), we
ST:STUDY_SUMMARY                 	comprehensively profiled all eight PI classes and their acyl chain variants
ST:STUDY_SUMMARY                 	(defined by the carbon number and the saturation level). Seven of the eight
ST:STUDY_SUMMARY                 	phosphoinositide classes (except for PI(3,4)P2) were detected in all tested
ST:STUDY_SUMMARY                 	conditions. Upon SARS-CoV-2 infection, the abundance of multiple PI classes was
ST:STUDY_SUMMARY                 	increased relative to uninfected samples, albeit with some variability across
ST:STUDY_SUMMARY                 	independent experiment. This increase was most pronounced with the abundant acyl
ST:STUDY_SUMMARY                 	chain (38:4), yet a similar trend was observed with other acyl chains. Notably,
ST:STUDY_SUMMARY                 	RMC-113 treatment in infected cells caused a 1.5-2-fold increase in the
ST:STUDY_SUMMARY                 	abundance of PI3P and PI5P—the substrates of PIKfyve and PIP4K2C,
ST:STUDY_SUMMARY                 	respectively6, 36—relative to DMSO controls. No concomitant reduction in the
ST:STUDY_SUMMARY                 	levels of the respective phosphorylated products, PI(3,5)P2 and PI(4,5)P2, was
ST:STUDY_SUMMARY                 	detected in RMC-113- vs. DMSO-treated infected cells, likely due to intact
ST:STUDY_SUMMARY                 	activity of enzymes not targeted by RMC-113, such as PIP4K (1A/1B/1C).
ST:STUDY_SUMMARY                 	Nevertheless, the product-to-substrate ratios of PIKfyve and PIP4K2C were
ST:STUDY_SUMMARY                 	reduced in both uninfected and infected cells upon RMC-113 treatment relative to
ST:STUDY_SUMMARY                 	DMSO
ST:INSTITUTE                     	Stanford University
ST:DEPARTMENT                    	medicine
ST:LABORATORY                    	Einav lab
ST:LAST_NAME                     	Mishra
ST:FIRST_NAME                    	Manjari
ST:ADDRESS                       	300 pasteur drive, stanford
ST:EMAIL                         	manjari1@stanford.edu
ST:PHONE                         	6503849709
ST:NUM_GROUPS                    	4 (uninfected and SARS-CoV-2 infected samples and RMC-113-treated and untreated
ST:NUM_GROUPS                    	samples)
ST:STUDY_COMMENTS                	na
ST:PUBLICATIONS                  	https://www.biorxiv.org/content/10.1101/2024.04.15.589676v1.full
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:CELL_BIOSOURCE_OR_SUPPLIER    	ATCC
SU:CELL_STRAIN_DETAILS           	Human lung epithelial cells (A549-ACE2)
SU:CELL_PASSAGE_NUMBER           	15
SU:CELL_COUNTS                   	1*10^6 cells
#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           	1	DMSO SARS-CoV2	Sample source:A549-ACE2 CELLS | Treatment:Control	RAW_FILE_NAME(raw file)=PI.WIFF, PIP.WIFF,PIP2.WIFF,PIP3.WIFF
SUBJECT_SAMPLE_FACTORS           	2	RMC-113 SARS-CoV2	Sample source:A549-ACE2 cells | Treatment:treated	RAW_FILE_NAME(raw file)=PI.WIFF, PIP.WIFF,PIP2.WIFF,PIP3.WIFF
SUBJECT_SAMPLE_FACTORS           	3	DMSO uninfected	Sample source:A549ACE2 CELLS | Treatment:Control	RAW_FILE_NAME(raw file)=PI.WIFF, PIP.WIFF,PIP2.WIFF,PIP3.WIFF
SUBJECT_SAMPLE_FACTORS           	4	RMC-113 uninfected	Sample source:A549ACE2 CELLS | Treatment:treated	RAW_FILE_NAME(raw file)=PI.WIFF, PIP.WIFF,PIP2.WIFF,PIP3.WIFF
#COLLECTION
CO:COLLECTION_SUMMARY            	In this study, we have used lung epithelial A549-ACE2 cell line for our
CO:COLLECTION_SUMMARY            	experiment in both SARS-CoV2 infected and uninfected cells including treatment
CO:COLLECTION_SUMMARY            	with our lab-made dual lipid kinase inhibitor RMC-113
CO:SAMPLE_TYPE                   	Epithelial cells
#TREATMENT
TR:TREATMENT_SUMMARY             	The cells are treated with dual lipid kinase inhibitor RMC-113
TR:TREATMENT_DOSE                	5uM
TR:TREATMENT_DOSEDURATION        	24hrs
TR:TREATMENT_VEHICLE             	methanol
TR:CELL_STORAGE                  	37 Celsius 5% co2
TR:CELL_GROWTH_CONTAINER         	petriplate
TR:CELL_GROWTH_RATE              	32hrs doubling time
TR:CELL_MEDIA                    	DMEM
TR:CELL_ENVIR_COND               	ambient
TR:CELL_HARVESTING               	p-16
TR:CELL_PCT_CONFLUENCE           	80%
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipid extraction: 10 pmol each of 4 reference standards (deuterated 5 PI,
SP:SAMPLEPREP_SUMMARY            	deuterated 62 PI3P, deuterated 62 PI(4,5)P2) was spiked into methanol volume
SP:SAMPLEPREP_SUMMARY            	required for total # of samples. 1 sample is spiked with 37:4 and 38:4 reference
SP:SAMPLEPREP_SUMMARY            	standards (Table 1) for retention time matching. 1.5 ml of methanol standard mix
SP:SAMPLEPREP_SUMMARY            	was added to 200 ul of plasma or cell pellet. 750 of uL Ultrapure water, 750ul
SP:SAMPLEPREP_SUMMARY            	of 2M HCL, and 200 uL of 1 M NaCl were added to above mixture. Mixture was
SP:SAMPLEPREP_SUMMARY            	vortexed, then 1 mL of chloroform was added. Tubes were mixed for 2 min. After
SP:SAMPLEPREP_SUMMARY            	centrifugation at 1200×g for 4 min at RT, lower organic was transferred to a
SP:SAMPLEPREP_SUMMARY            	new tube. Prep for Methylation: 1 mL of Methanol/12 M HCL/H20 (12/12/1/1) was
SP:SAMPLEPREP_SUMMARY            	added to the lower phase. 900 uL of 120 mM NaCl was added to the mixture and
SP:SAMPLEPREP_SUMMARY            	vortexed. After centrifugation at 1200×g for 4 min at RT, lower organic was
SP:SAMPLEPREP_SUMMARY            	transferred to a new tube. Methylation reaction: 50 uL of 2 M trimethylsilyl
SP:SAMPLEPREP_SUMMARY            	diazomethane was added to each sample tube. After 10 min, the reaction was
SP:SAMPLEPREP_SUMMARY            	quenched with 20 uL of glacial acetic acid. Samples were mixed with 700 uL of
SP:SAMPLEPREP_SUMMARY            	chloroform/methanol/UltrapureH20 (3/48/47). Tubes were mixed for 1 min. After
SP:SAMPLEPREP_SUMMARY            	centrifugation at 1200×g for 4 min at RT, lower organic was transferred to a
SP:SAMPLEPREP_SUMMARY            	1.5 mL vials dried under N2 stream. Samples were redissolved in 200 uL
SP:SAMPLEPREP_SUMMARY            	acetonitrile. Samples were placed on shaker for 10 minutes, then transferred to
SP:SAMPLEPREP_SUMMARY            	a 200 ul glass vial insert. Samples were loaded on UPLC autosampler and injected
SP:SAMPLEPREP_SUMMARY            	at 30 uL for LCMS analysis.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	4℃
SP:SAMPLE_DERIVATIZATION         	methylation
SP:SAMPLE_SPIKING                	yes
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Setup Chiral column to MS and create MRM profiles for each lipid class. Run
CH:CHROMATOGRAPHY_SUMMARY        	samples and collect data using parameters in table 2 and 3 below. Table 2. UHPLC
CH:CHROMATOGRAPHY_SUMMARY        	Parameters Column: Lux 3 µm i-Cellulose-5, LC Column 250 x 4.6 mm, Part No.:
CH:CHROMATOGRAPHY_SUMMARY        	00G-4755-E0 Detector: MS triple quad Sciex 5500 Injection Volume: 30 µL Sample
CH:CHROMATOGRAPHY_SUMMARY        	Temperature: 15 °C Column Temperature: 35 °C Flow rate: 0.5 mL/min. Mobile
CH:CHROMATOGRAPHY_SUMMARY        	Phase-A: 5 mM ammonium acetate in Methanol Mobile Phase-B: 5 mM ammonium acetate
CH:CHROMATOGRAPHY_SUMMARY        	in Acetonitrile Elution Mode: Gradient see below table Time (min.) A% B% 0 0 100
CH:CHROMATOGRAPHY_SUMMARY        	1 0 100 3 30 70 15 30 70 15.01 0 100 20 0 100
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Shimadzu Nexera X2
CH:COLUMN_NAME                   	Phenomenex Lux i-Cellulose-5 (250 x 4.6mm, 3um)
CH:SOLVENT_A                     	100% methanol; 5 mM ammonium acetate
CH:SOLVENT_B                     	100% acetonitrile; 5 mM ammonium acetate
CH:SOLVENT_C                     	none
CH:FLOW_GRADIENT                 	Time (min.) A% B%; 0 0 100; 1 0 100; 3 30 70; 15 30 70; 15.01 0 100; 20 0 100
CH:FLOW_RATE                     	0.5 mL/min
CH:COLUMN_TEMPERATURE            	35
CH:METHODS_FILENAME              	LIPIDOMICS_protocol_all_parameters_etc.pdf
CH:INTERNAL_STANDARD             	PI, PIP, PIP2
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Einav lab
AN:OPERATOR_NAME                 	Adam
AN:SOFTWARE_VERSION              	analyst 3.0
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5500 QTrap
MS:INSTRUMENT_TYPE               	Other
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Calculate areas under curve of each sample with retention times matching the
MS:MS_COMMENTS                   	37:4 and 38:4 standard mix only sample. Divide areas of each sample by their
MS:MS_COMMENTS                   	respective deuterated reference standard to account for experimental and
MS:MS_COMMENTS                   	analytical variation. Use analyst 3.0 software to both run samples and analyze
MS:MS_COMMENTS                   	and process samples
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	au
MS_METABOLITE_DATA_START
Samples	DMSO SARS-CoV2	RMC-113 SARS-CoV2	DMSO uninfected	RMC-113 uninfected
Factors	Sample source:A549-ACE2 CELLS | Treatment:Control	Sample source:A549-ACE2 cells | Treatment:treated	Sample source:A549ACE2 CELLS | Treatment:Control	Sample source:A549ACE2 CELLS | Treatment:treated
PI32:1	9.51E+06	6.92E+06	9.65E+06	6.54E+06
PI32:0				
PI34:2	3.51E+07	2.77E+07	3.45E+07	2.68E+07
PI34:1	4.14E+07	2.82E+07	4.11E+07	2.65E+07
PI34:0	3.87E+06	2.52E+06	3.87E+06	2.41E+06
PI36:4	9.06E+06	5.87E+06	8.12E+06	6.21E+06
PI36:3	1.39E+07	1.02E+07	1.25E+07	1.05E+07
PI36:2	7.53E+07	4.75E+07	7.07E+07	4.71E+07
PI36:1	5.62E+07	3.43E+07	5.22E+07	3.29E+07
PI36:0	5.59E+06	3.20E+06	5.22E+06	3.07E+06
PI37:4	1.41E+06	1.17E+06	1.30E+06	1.26E+06
PI38:6	3.09E+06	1.64E+06	2.33E+06	1.66E+06
PI38:5	3.27E+07	2.20E+07	2.83E+07	2.38E+07
PI38:4	7.65E+07	6.43E+07	7.47E+07	6.77E+07
PI38:3	6.09E+07	4.15E+07	5.62E+07	3.96E+07
PI40:6	8.16E+06	5.72E+06	7.21E+06	5.95E+06
PI40:5	9.66E+06	8.89E+06	9.57E+06	9.62E+06
PI40:4	6.39E+06	5.32E+06	5.82E+06	5.62E+06
PI3P32:1	1.36E+05	8.27E+04	1.01E+05	9.38E+04
PI3P32:0				
PI3P34:2	2.22E+05	2.28E+05	1.78E+05	2.60E+05
PI3P34:1	8.53E+05	5.70E+05	5.90E+05	6.71E+05
PI3P34:0	6.40E+04	3.81E+04	4.12E+04	5.22E+04
PI3P36:4	5.60E+04	4.54E+04	2.84E+04	5.33E+04
PI3P36:3	1.27E+05	1.24E+05	8.66E+04	1.30E+05
PI3P36:2	8.27E+05	6.90E+05	6.05E+05	8.71E+05
PI3P36:1	1.32E+06	9.22E+05	9.29E+05	1.18E+06
PI3P36:0	8.31E+04	5.75E+04	5.49E+04	7.98E+04
PI3P37:4	5.14E+03	7.49E+03	4.26E+03	5.81E+03
PI3P38:6	9.28E+03	9.54E+03	5.32E+03	9.28E+03
PI3P38:5	1.71E+05	1.72E+05	8.84E+04	2.00E+05
PI3P38:4	7.61E+05	9.74E+05	5.27E+05	1.23E+06
PI3P38:3	9.26E+05	9.30E+05	5.81E+05	1.17E+06
PI3P40:6	6.07E+04	4.85E+04	4.19E+04	7.59E+04
PI3P40:5	9.59E+04	1.26E+05	5.83E+04	1.38E+05
PI3P40:4	1.07E+05	1.31E+05	6.82E+04	1.49E+05
PI4P32:1	5.38E+05	3.80E+05	3.72E+05	3.43E+05
PI4P32:0				
PI4P34:2	1.98E+06	1.52E+06	1.17E+06	1.42E+06
PI4P34:1	3.48E+06	2.20E+06	2.35E+06	2.01E+06
PI4P34:0	3.11E+05	2.01E+05	2.07E+05	2.01E+05
PI4P36:4	4.50E+05	3.15E+05	2.79E+05	3.02E+05
PI4P36:3	8.07E+05	5.80E+05	4.13E+05	5.60E+05
PI4P36:2	6.16E+06	3.91E+06	3.71E+06	3.93E+06
PI4P36:1	4.10E+06	2.79E+06	2.73E+06	2.70E+06
PI4P36:0	3.57E+05	2.49E+05	2.46E+05	2.44E+05
PI4P37:4	3.26E+05	2.82E+05	2.94E+05	2.98E+05
PI4P38:6	8.09E+04	6.86E+04	5.02E+04	5.96E+04
PI4P38:5	1.36E+06	1.10E+06	7.76E+05	1.15E+06
PI4P38:4	5.40E+06	4.94E+06	3.08E+06	5.21E+06
PI4P38:3	3.84E+06	3.07E+06	2.30E+06	3.05E+06
PI4P40:6	3.94E+05	3.34E+05	2.46E+05	3.36E+05
PI4P40:5	5.24E+05	6.08E+05	3.45E+05	6.25E+05
PI4P40:4	3.79E+05	4.20E+05	2.27E+05	4.72E+05
PI5P32:1	4.08E+03	1.65E+03	3.20E+03	2.83E+03
PI5P32:0				
PI5P34:2	2.64E+04	2.20E+04	2.31E+04	2.26E+04
PI5P34:1	4.78E+04	4.68E+04	4.58E+04	4.69E+04
PI5P34:0	5.89E+04	3.33E+04	4.10E+04	3.05E+04
PI5P36:4	5.06E+02	1.60E+03	1.36E+03	7.99E+02
PI5P36:3	2.97E+03	4.02E+03	3.62E+03	6.18E+03
PI5P36:2	6.93E+04	5.90E+04	5.38E+04	6.10E+04
PI5P36:1	4.70E+04	6.87E+04	4.76E+04	8.36E+04
PI5P36:0	9.17E+03	8.89E+03	8.11E+03	1.07E+04
PI5P37:4	2.92E+04	4.68E+04	1.99E+04	4.96E+04
PI5P38:6				
PI5P38:5	8.17E+02	3.06E+03	1.15E+03	3.11E+03
PI5P38:4	6.09E+04	1.05E+05	5.10E+04	1.19E+05
PI5P38:3	1.10E+04	2.40E+04	1.43E+03	1.32E+04
PI5P40:6	9.60E+02	2.59E+03	4.90E+03	5.02E+03
PI5P40:5	7.80E+03	1.48E+04	4.12E+03	1.54E+04
PI5P40:4	3.17E+03	6.95E+03	4.81E+03	7.28E+03
PI(3,5)P232:1	6.86E+03	3.84E+03	3.62E+03	2.25E+03
PI(3,5)P232:0				
PI(3,5)P234:2	2.38E+04	1.66E+04	1.68E+04	1.26E+04
PI(3,5)P234:1	3.56E+04	1.52E+04	1.67E+04	1.44E+04
PI(3,5)P234:0				
PI(3,5)P236:4	9.59E+03	7.50E+03	5.07E+03	6.41E+03
PI(3,5)P236:3	1.08E+04	6.82E+03	5.60E+03	6.05E+03
PI(3,5)P236:2	6.61E+04	3.21E+04	3.56E+04	3.11E+04
PI(3,5)P236:1	5.17E+04	2.72E+04	2.84E+04	2.94E+04
PI(3,5)P236:0	5.91E+03	3.37E+03	3.60E+03	3.06E+03
PI(3,5)P237:4	7.15E+03	5.78E+03	6.24E+03	4.98E+03
PI(3,5)P238:6				
PI(3,5)P238:5	2.70E+04	2.23E+04	1.43E+04	2.28E+04
PI(3,5)P238:4	7.30E+04	6.85E+04	4.49E+04	6.48E+04
PI(3,5)P238:3	5.20E+04	3.52E+04	2.80E+04	3.44E+04
PI(3,5)P240:6	6.43E+03	5.31E+03	3.85E+03	3.59E+03
PI(3,5)P240:5	7.43E+03	0.00E+00	4.65E+03	8.92E+03
PI(3,5)P240:4	5.12E+03	4.72E+03	4.33E+03	4.64E+03
PI(4,5)P2 32:1	5.17E+05	4.17E+05	3.61E+05	3.43E+05
PI(4,5)P232:0				
PI(4,5)P234:2	1.58E+06	1.38E+06	9.61E+05	1.18E+06
PI(4,5)P234:1	2.88E+06	1.99E+06	1.77E+06	1.80E+06
PI(4,5)P234:0				
PI(4,5)P236:4	2.43E+05	2.02E+05	1.47E+05	2.10E+05
PI(4,5)P236:3	5.62E+05	5.03E+05	3.26E+05	4.96E+05
PI(4,5)P236:2	4.15E+06	2.95E+06	2.49E+06	2.94E+06
PI(4,5)P236:1	4.45E+06	3.36E+06	3.06E+06	3.36E+06
PI(4,5)P236:0	3.93E+05	2.97E+05	2.66E+05	2.86E+05
PI(4,5)P237:4	2.30E+05	2.27E+05	2.27E+05	2.16E+05
PI(4,5)P238:6				
PI(4,5)P238:5	6.98E+05	6.90E+05	4.05E+05	7.31E+05
PI(4,5)P238:4	3.52E+06	3.53E+06	2.14E+06	3.77E+06
PI(4,5)P238:3	2.67E+06	2.20E+06	1.51E+06	2.25E+06
PI(4,5)P240:6	2.07E+05	2.07E+05	1.34E+05	2.29E+05
PI(4,5)P240:5	3.73E+05	4.31E+05	2.43E+05	4.91E+05
PI(4,5)P240:4	2.37E+05	2.73E+05	1.48E+05	2.96E+05
PI(3,4,5)P3 32:1				
PI(3,4,5)P3 32:0	2.34E+05	2.50E+05	2.19E+05	1.80E+05
PI(3,4,5)P334:2				
PI(3,4,5)P334:1				
PI(3,4,5)P334:0	9.56E+04	1.03E+05	9.32E+04	7.75E+04
PI(3,4,5)P336:4	1.92E+04	1.05E+04	1.41E+04	4.77E+04
PI(3,4,5)P336:3				
PI(3,4,5)P336:2				
PI(3,4,5)P336:1				
PI(3,4,5)P336:0				
PI(3,4,5)P337:4	7.21E+03	6.07E+03	3.15E+02	6.41E+03
PI(3,4,5)P338:6				
PI(3,4,5)P338:5	9.19E+04	6.77E+04	7.03E+04	4.28E+04
PI(3,4,5)P338:4	1.34E+04	1.24E+04	9.04E+03	6.86E+03
PI(3,4,5)P338:3				
PI(3,4,5)P340:6				
PI(3,4,5)P340:5				
PI(3,4,5)P340:4				
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
PI32:1
PI32:0
PI34:2
PI34:1
PI34:0
PI36:4
PI36:3
PI36:2
PI36:1
PI36:0
PI37:4
PI38:6
PI38:5
PI38:4
PI38:3
PI40:6
PI40:5
PI40:4
PI3P32:1
PI3P32:0
PI3P34:2
PI3P34:1
PI3P34:0
PI3P36:4
PI3P36:3
PI3P36:2
PI3P36:1
PI3P36:0
PI3P37:4
PI3P38:6
PI3P38:5
PI3P38:4
PI3P38:3
PI3P40:6
PI3P40:5
PI3P40:4
PI4P32:1
PI4P32:0
PI4P34:2
PI4P34:1
PI4P34:0
PI4P36:4
PI4P36:3
PI4P36:2
PI4P36:1
PI4P36:0
PI4P37:4
PI4P38:6
PI4P38:5
PI4P38:4
PI4P38:3
PI4P40:6
PI4P40:5
PI4P40:4
PI5P32:1
PI5P32:0
PI5P34:2
PI5P34:1
PI5P34:0
PI5P36:4
PI5P36:3
PI5P36:2
PI5P36:1
PI5P36:0
PI5P37:4
PI5P38:6
PI5P38:5
PI5P38:4
PI5P38:3
PI5P40:6
PI5P40:5
PI5P40:4
PI(3,5)P232:1
PI(3,5)P232:0
PI(3,5)P234:2
PI(3,5)P234:1
PI(3,5)P234:0
PI(3,5)P236:4
PI(3,5)P236:3
PI(3,5)P236:2
PI(3,5)P236:1
PI(3,5)P236:0
PI(3,5)P237:4
PI(3,5)P238:6
PI(3,5)P238:5
PI(3,5)P238:4
PI(3,5)P238:3
PI(3,5)P240:6
PI(3,5)P240:5
PI(3,5)P240:4
PI(4,5)P2 32:1
PI(4,5)P232:0
PI(4,5)P234:2
PI(4,5)P234:1
PI(4,5)P234:0
PI(4,5)P236:4
PI(4,5)P236:3
PI(4,5)P236:2
PI(4,5)P236:1
PI(4,5)P236:0
PI(4,5)P237:4
PI(4,5)P238:6
PI(4,5)P238:5
PI(4,5)P238:4
PI(4,5)P238:3
PI(4,5)P240:6
PI(4,5)P240:5
PI(4,5)P240:4
PI(3,4,5)P3 32:1
PI(3,4,5)P3 32:0
PI(3,4,5)P334:2
PI(3,4,5)P334:1
PI(3,4,5)P334:0
PI(3,4,5)P336:4
PI(3,4,5)P336:3
PI(3,4,5)P336:2
PI(3,4,5)P336:1
PI(3,4,5)P336:0
PI(3,4,5)P337:4
PI(3,4,5)P338:6
PI(3,4,5)P338:5
PI(3,4,5)P338:4
PI(3,4,5)P338:3
PI(3,4,5)P340:6
PI(3,4,5)P340:5
PI(3,4,5)P340:4
METABOLITES_END
#END