#METABOLOMICS WORKBENCH clambert_20240802_043609 DATATRACK_ID:5074 STUDY_ID:ST003401 ANALYSIS_ID:AN005582 PROJECT_ID:PR002107
VERSION             	1
CREATED_ON             	August 13, 2024, 3:13 pm
#PROJECT
PR:PROJECT_TITLE                 	The double-edged role of FASII regulator FabT in Streptococcus pyogenes
PR:PROJECT_TITLE                 	infection
PR:PROJECT_TYPE                  	MS quantitative analysis
PR:PROJECT_SUMMARY               	In Streptococcus pyogenes, the type II fatty acid (FA) synthesis pathway FASII
PR:PROJECT_SUMMARY               	is feedback-controlled by the FabT repressor. A FabT mutation leads to FASII
PR:PROJECT_SUMMARY               	dysregulation, FAs membrane modification and bacterial growth defect in the
PR:PROJECT_SUMMARY               	presence of eukaryotic cells and their supernatant. We try to understand the
PR:PROJECT_SUMMARY               	consequences on bacteria metabolism.
PR:INSTITUTE                     	INSERM
PR:DEPARTMENT                    	U1016
PR:LABORATORY                    	Institut Cochin - Bacteria and perinatality team
PR:LAST_NAME                     	Lambert
PR:FIRST_NAME                    	Clara
PR:ADDRESS                       	24 rue Méchain 75014 Paris
PR:EMAIL                         	clara.lambert@ibcp.fr
PR:PHONE                         	+33134652168
PR:PUBLICATIONS                  	The double-edged role of FASII regulator FabT in Streptococcus pyogenes
PR:PUBLICATIONS                  	infection
#STUDY
ST:STUDY_TITLE                   	The double-edged role of FASII regulator FabT in Streptococcus pyogenes
ST:STUDY_TITLE                   	infection - Lipidomics
ST:STUDY_SUMMARY                 	A FabT mutation impacts the membrane fatty acid (FA) composition. Lipids are
ST:STUDY_SUMMARY                 	composed of FA. The effects of the FabT mutation on membrane FA composition
ST:STUDY_SUMMARY                 	should also alter phospholipid metabolism. WT and mFabT strains were grown as
ST:STUDY_SUMMARY                 	200 ml cultures in THY or THY-Tween until OD600 = 0.4 - 0.5. Lipid extractions
ST:STUDY_SUMMARY                 	and identifications were performed as described 1-4. Lipid separation was
ST:STUDY_SUMMARY                 	realized by normal phase HPLC (U3000 ThermoFisher Scientific) using a Inertsil
ST:STUDY_SUMMARY                 	Si 5μm column (150 x 2.1 mm I.D.) from GL Sciences Inc (Tokyo, Japan). Lipids
ST:STUDY_SUMMARY                 	were quantified using a Corona-CAD Ultra and identified by mass-spectrometry
ST:STUDY_SUMMARY                 	negative ionization and MS2/MS3 fragmentations (LTQ-Orbitrap Velos Pro). The
ST:STUDY_SUMMARY                 	adducts observed for molecular ions were: CH3COO- for MGDG, CH3COO- and H- for
ST:STUDY_SUMMARY                 	DGDG, H- for PG and CL. All raw data from MS/MS fragmentations can now be
ST:STUDY_SUMMARY                 	accessed in MZML open source format. This analysis was repeated on 3 independent
ST:STUDY_SUMMARY                 	experiments. 1-Kenanian, G. et al. Permissive Fatty Acid Incorporation Promotes
ST:STUDY_SUMMARY                 	Staphylococcal Adaptation to FASII Antibiotics in Host Environments. Cell Rep
ST:STUDY_SUMMARY                 	29, 3974-3982 e3974, doi:10.1016/j.celrep.2019.11.071 (2019). 2-Abreu, S.,
ST:STUDY_SUMMARY                 	Solgadi, A. & Chaminade, P. Optimization of normal phase chromatographic
ST:STUDY_SUMMARY                 	conditions for lipid analysis and comparison of associated detection techniques.
ST:STUDY_SUMMARY                 	J Chromatogr A 1514, 54-71, doi:10.1016/j.chroma.2017.07.063 (2017). 3-Bligh, E.
ST:STUDY_SUMMARY                 	G. & Dyer, W. J. A rapid method of total lipid extraction and purification. Can
ST:STUDY_SUMMARY                 	J Biochem Physiol 37, 911-917, doi:10.1139/o59-099 (1959). 4-Thedieck, K. et al.
ST:STUDY_SUMMARY                 	The MprF protein is required for lysinylation of phospholipids in listerial
ST:STUDY_SUMMARY                 	membranes and confers resistance to cationic antimicrobial peptides (CAMPs) on
ST:STUDY_SUMMARY                 	Listeria monocytogenes. Mol Microbiol 62, 1325-1339,
ST:STUDY_SUMMARY                 	doi:10.1111/j.1365-2958.2006.05452.x (2006).
ST:INSTITUTE                     	INSERM
ST:DEPARTMENT                    	U1016
ST:LABORATORY                    	Institut Cochin - Bacteria and perinatality team
ST:LAST_NAME                     	Lambert
ST:FIRST_NAME                    	Clara
ST:ADDRESS                       	24 rue Méchain 75014 Paris
ST:EMAIL                         	clara.lambert@ibcp.fr
ST:PHONE                         	+33134652168
#SUBJECT
SU:SUBJECT_TYPE                  	Bacteria
SU:SUBJECT_SPECIES               	Streptococcus pyogenes
SU:GENOTYPE_STRAIN               	M28PF1
SU:GENDER                        	Not applicable
#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           	Wild-type	WT_THY_1	Sample source:Bacteria | Treatment:THY	RAW_FILE_NAME(Raw file name)=WT_THY_1
SUBJECT_SAMPLE_FACTORS           	Wild-type	WT_THY_2	Sample source:Bacteria | Treatment:THY	RAW_FILE_NAME(Raw file name)=WT_THY_2
SUBJECT_SAMPLE_FACTORS           	Wild-type	WT_THY_3	Sample source:Bacteria | Treatment:THY	RAW_FILE_NAME(Raw file name)=WT_THY_3
SUBJECT_SAMPLE_FACTORS           	Wild-type	WT_THY_4	Sample source:Bacteria | Treatment:THY	RAW_FILE_NAME(Raw file name)=WT_THY_4
SUBJECT_SAMPLE_FACTORS           	FabT mutant strain	mFabT_THY_1	Sample source:Bacteria | Treatment:THY	RAW_FILE_NAME(Raw file name)=mFabT_THY_1
SUBJECT_SAMPLE_FACTORS           	FabT mutant strain	mFabT_THY_2	Sample source:Bacteria | Treatment:THY	RAW_FILE_NAME(Raw file name)=mFabT_THY_2
SUBJECT_SAMPLE_FACTORS           	FabT mutant strain	mFabT_THY_3	Sample source:Bacteria | Treatment:THY	RAW_FILE_NAME(Raw file name)=mFabT_THY_3
SUBJECT_SAMPLE_FACTORS           	FabT mutant strain	mFabT_THY_4	Sample source:Bacteria | Treatment:THY	RAW_FILE_NAME(Raw file name)=mFabT_THY_4
SUBJECT_SAMPLE_FACTORS           	Wild-type	WT_THY-Tween_1	Sample source:Bacteria | Treatment:THY-Tween	RAW_FILE_NAME(Raw file name)=WT_THY-Tween_1
SUBJECT_SAMPLE_FACTORS           	Wild-type	WT_THY-Tween_2	Sample source:Bacteria | Treatment:THY-Tween	RAW_FILE_NAME(Raw file name)=WT_THY-Tween_2
SUBJECT_SAMPLE_FACTORS           	Wild-type	WT_THY-Tween_3	Sample source:Bacteria | Treatment:THY-Tween	RAW_FILE_NAME(Raw file name)=WT_THY-Tween_3
SUBJECT_SAMPLE_FACTORS           	Wild-type	WT_THY-Tween_4	Sample source:Bacteria | Treatment:THY-Tween	RAW_FILE_NAME(Raw file name)=WT_THY-Tween_4
SUBJECT_SAMPLE_FACTORS           	FabT mutant strain	mFabT_THY-Tween_1	Sample source:Bacteria | Treatment:THY-Tween	RAW_FILE_NAME(Raw file name)=mFabT_THY-Tween_1
SUBJECT_SAMPLE_FACTORS           	FabT mutant strain	mFabT_THY-Tween_2	Sample source:Bacteria | Treatment:THY-Tween	RAW_FILE_NAME(Raw file name)=mFabT_THY-Tween_2
SUBJECT_SAMPLE_FACTORS           	FabT mutant strain	mFabT_THY-Tween_3	Sample source:Bacteria | Treatment:THY-Tween	RAW_FILE_NAME(Raw file name)=mFabT_THY-Tween_3
SUBJECT_SAMPLE_FACTORS           	FabT mutant strain	mFabT_THY-Tween_4	Sample source:Bacteria | Treatment:THY-Tween	RAW_FILE_NAME(Raw file name)=mFabT_THY-Tween_4
#COLLECTION
CO:COLLECTION_SUMMARY            	Bacteria were grown as 200 ml cultures in THY or THY-Tween until OD600 = 0.4 -
CO:COLLECTION_SUMMARY            	0.5. Lipid extractions and identifications were performed as described 1-4.
CO:COLLECTION_SUMMARY            	1-Kenanian, G. et al. Permissive Fatty Acid Incorporation Promotes
CO:COLLECTION_SUMMARY            	Staphylococcal Adaptation to FASII Antibiotics in Host Environments. Cell Rep
CO:COLLECTION_SUMMARY            	29, 3974-3982 e3974, doi:10.1016/j.celrep.2019.11.071 (2019). 2-Abreu, S.,
CO:COLLECTION_SUMMARY            	Solgadi, A. & Chaminade, P. Optimization of normal phase chromatographic
CO:COLLECTION_SUMMARY            	conditions for lipid analysis and comparison of associated detection techniques.
CO:COLLECTION_SUMMARY            	J Chromatogr A 1514, 54-71, doi:10.1016/j.chroma.2017.07.063 (2017). 3-Bligh, E.
CO:COLLECTION_SUMMARY            	G. & Dyer, W. J. A rapid method of total lipid extraction and purification. Can
CO:COLLECTION_SUMMARY            	J Biochem Physiol 37, 911-917, doi:10.1139/o59-099 (1959). 4-Thedieck, K. et al.
CO:COLLECTION_SUMMARY            	The MprF protein is required for lysinylation of phospholipids in listerial
CO:COLLECTION_SUMMARY            	membranes and confers resistance to cationic antimicrobial peptides (CAMPs) on
CO:COLLECTION_SUMMARY            	Listeria monocytogenes. Mol Microbiol 62, 1325-1339,
CO:COLLECTION_SUMMARY            	doi:10.1111/j.1365-2958.2006.05452.x (2006).
CO:SAMPLE_TYPE                   	Bacterial cells
#TREATMENT
TR:TREATMENT_SUMMARY             	WT and mFabT strains were grown as 200 ml cultures in THY or THY-Tween until
TR:TREATMENT_SUMMARY             	optical density at 600nm (D600) rich 0.4 - 0.5.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipid extractions and identifications were performed as described 1-4. Lipid
SP:SAMPLEPREP_SUMMARY            	separation was realized by normal phase HPLC (U3000 ThermoFisher Scientific)
SP:SAMPLEPREP_SUMMARY            	using a Inertsil Si 5μm column (150 x 2.1 mm I.D.) from GL Sciences Inc (Tokyo,
SP:SAMPLEPREP_SUMMARY            	Japan). Lipids were quantified using a Corona-CAD Ultra and identified by
SP:SAMPLEPREP_SUMMARY            	mass-spectrometry negative ionization and MS2/MS3 fragmentations (LTQ-Orbitrap
SP:SAMPLEPREP_SUMMARY            	Velos Pro). The adducts observed for molecular ions were: CH3COO- for MGDG,
SP:SAMPLEPREP_SUMMARY            	CH3COO- and H- for DGDG, H- for PG and CL. 1-Kenanian, G. et al. Permissive
SP:SAMPLEPREP_SUMMARY            	Fatty Acid Incorporation Promotes Staphylococcal Adaptation to FASII Antibiotics
SP:SAMPLEPREP_SUMMARY            	in Host Environments. Cell Rep 29, 3974-3982 e3974,
SP:SAMPLEPREP_SUMMARY            	doi:10.1016/j.celrep.2019.11.071 (2019). 2-Abreu, S., Solgadi, A. & Chaminade,
SP:SAMPLEPREP_SUMMARY            	P. Optimization of normal phase chromatographic conditions for lipid analysis
SP:SAMPLEPREP_SUMMARY            	and comparison of associated detection techniques. J Chromatogr A 1514, 54-71,
SP:SAMPLEPREP_SUMMARY            	doi:10.1016/j.chroma.2017.07.063 (2017). 3-Bligh, E. G. & Dyer, W. J. A rapid
SP:SAMPLEPREP_SUMMARY            	method of total lipid extraction and purification. Can J Biochem Physiol 37,
SP:SAMPLEPREP_SUMMARY            	911-917, doi:10.1139/o59-099 (1959). 4-Thedieck, K. et al. The MprF protein is
SP:SAMPLEPREP_SUMMARY            	required for lysinylation of phospholipids in listerial membranes and confers
SP:SAMPLEPREP_SUMMARY            	resistance to cationic antimicrobial peptides (CAMPs) on Listeria monocytogenes.
SP:SAMPLEPREP_SUMMARY            	Mol Microbiol 62, 1325-1339, doi:10.1111/j.1365-2958.2006.05452.x (2006).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Normal phase
CH:INSTRUMENT_NAME               	ThermoFisher Ultimate 3000 RSLC
CH:COLUMN_NAME                   	Intersil si (150 x 2.1mm, 5um)
CH:SOLVENT_A                     	100% heptane
CH:SOLVENT_B                     	66.67% acetone/33.33% ethyl acetate; 0.15% acetic acid
CH:SOLVENT_C                     	85% isopropanol/15% water; 0.043% acetic acid; 0.104 % triethylamine
CH:FLOW_GRADIENT                 	T(min) %A %B %C: 0 100 0 0; 1.5 100 0 0; 1.6 97 3 0; 9 94 6 0; 11 70 30 0; 14 45
CH:FLOW_GRADIENT                 	55 0; 15 45 55 0; 16 40 55 5; 20 35 55 10; 20.1 33 50 17; 25 38 45 17; 25.1 48
CH:FLOW_GRADIENT                 	35 17; 30 53 30 17; 40 40 0 60; 40.1 0 100 0; 42 0 100 0; 42.1 50 0 0; 45 50 0
CH:FLOW_GRADIENT                 	0; 47 100 0 0; 53 100 0 0
CH:FLOW_RATE                     	0.8mL/min
CH:COLUMN_TEMPERATURE            	40
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	UMS-IPSIT SAMM facility
#MS
MS:INSTRUMENT_NAME               	Thermo Velos LTQ Orbitrap
MS:INSTRUMENT_TYPE               	LTQ-FT
MS:MS_TYPE                       	APCI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Fulscan MS, data dependent analysis MS2 (top 2) and MS3 (top 1) Manual asignment
MS:MS_COMMENTS                   	compared to commercial standards (Abreu, S., Solgadi, A. & Chaminade, P.
MS:MS_COMMENTS                   	Optimization of normal phase chromatographic conditions for lipid analysis and
MS:MS_COMMENTS                   	comparison of associated detection techniques. J Chromatogr A 1514, 54-71,
MS:MS_COMMENTS                   	doi:10.1016/j.chroma.2017.07.063 (2017).)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Relative abundance
MS_METABOLITE_DATA_START
Samples	WT_THY_1	WT_THY_2	WT_THY_3	WT_THY_4	mFabT_THY_1	mFabT_THY_2	mFabT_THY_3	mFabT_THY_4	WT_THY-Tween_1	WT_THY-Tween_2	WT_THY-Tween_3	WT_THY-Tween_4	mFabT_THY-Tween_1	mFabT_THY-Tween_2	mFabT_THY-Tween_3	mFabT_THY-Tween_4
Factors	Sample source:Bacteria | Treatment:THY	Sample source:Bacteria | Treatment:THY	Sample source:Bacteria | Treatment:THY	Sample source:Bacteria | Treatment:THY	Sample source:Bacteria | Treatment:THY	Sample source:Bacteria | Treatment:THY	Sample source:Bacteria | Treatment:THY	Sample source:Bacteria | Treatment:THY	Sample source:Bacteria | Treatment:THY-Tween	Sample source:Bacteria | Treatment:THY-Tween	Sample source:Bacteria | Treatment:THY-Tween	Sample source:Bacteria | Treatment:THY-Tween	Sample source:Bacteria | Treatment:THY-Tween	Sample source:Bacteria | Treatment:THY-Tween	Sample source:Bacteria | Treatment:THY-Tween	Sample source:Bacteria | Treatment:THY-Tween
MGDG 32:2	7.30	9.79	13.48	7.41	0.67	0.58	0.86	0.55	4.67	3.42	4.39	2.13	0.29	0.24	0.44	0.30
MGDG 32:1	31.54	31.36	37.90	26.60	16.33	10.77	15.85	13.48	17.51	11.10	16.76	17.97	5.82	4.91	5.09	5.53
MGDG 34:3	3.72	5.32	6.94	4.46	0.25	0.31	0.49	0.24	0.80	0.56	0.62	0.24	0.12	0.16	0.29	0.12
MGDG 34:2	37.21	47.51	54.69	41.52	5.64	7.56	9.28	6.71	57.78	45.45	51.68	30.52	6.84	9.91	10.72	8.30
MGDG 34:1	100.00	100.00	100.00	100.00	100.00	92.61	98.84	90.60	97.91	64.18	86.55	100.00	100.00	100.00	100.00	100.00
MGDG 35:2	0.54	0.67	0.65	3.67	0.13	0.27	0.29	0.93	7.64	6.33	5.78	5.58	0.79	1.04	1.11	3.05
MGDG 35:1	0.73	0.73	0.76	3.20	1.38	1.55	1.62	7.49	5.50	4.32	3.68	2.19	5.14	4.98	5.46	9.76
MGDG 36:3	6.16	7.83	8.36	9.22	0.90	2.03	2.26	1.02	2.90	2.52	2.31	0.83	0.64	1.45	1.97	0.73
MGDG 36:2	36.55	42.20	41.87	51.25	12.16	27.41	26.62	18.23	100.00	100.00	100.00	64.52	30.83	48.94	55.91	44.15
MGDG 36:1	16.59	14.59	12.82	26.64	89.05	100.00	100.00	100.00	13.37	13.97	13.98	9.06	37.36	46.57	56.25	42.81
DGDG 32:2	14.7	15.81	13.62	4.13	1.83	2.17	2.22	0.65	4.11	5.33	3.8	0.94	0.58	0.82	0.89	0.28
DGDG 32:1	60.35	48.33	47.85	22.48	41.96	28.46	35.11	15.59	21.27	21.31	19.14	8.71	9.92	10.06	11.02	5.07
DGDG 34:2	37.53	43.56	39.69	23.84	6.87	9.77	9.59	3.57	31.29	39.58	31.94	11.08	8.02	10.49	10.92	4.25
DGDG 34:1	100	100	100	68.45	100	100	100	59.49	100	100	100	61.56	100	100	100	67.72
DGDG 36:2	26.75	33.04	27.83	23.91	7.89	17.86	15.67	7.18	49.14	70.57	61.21	27.93	26.36	34.06	36.77	19.32
DGDG 36:1	18.16	18.08	13.82	14.17	65.77	75.77	74.91	45.75	8.1	12.88	10.63	3.66	26.54	35.89	35.58	19.08
PG 28:0	16.2	4.42	2.17	8.54	3.15	0.32	1.58	2.87	1.74	0.22	0.71	3.03	0.75	0.03	0.19	0.75
PG 30:2	9.65	5.43	3.15	7.72	0.82	0.26	0.85	1.44	1.25	0.25	0.52	1.15	0.11	0.02	0.1	0.15
PG 30:1	35.21	24.97	21.62	23.96	8.47	3.76	8.15	8.13	32.15	14.67	22.19	25.64	2.8	0.7	1.76	2.62
PG 30:0	28.63	21.07	24.86	15	8.53	2.83	4.45	3.76	18.57	9.3	14.64	25.99	4.88	2.23	3.52	3.43
PG 32:2	32.69	33.61	36.42	25.73	4.2	3.25	5.53	4.59	18.86	14.28	16.87	11.95	1.53	1.08	1.93	1.52
PG 32:1	70.81	67.93	79.53	56.95	40.4	27.03	38.94	35.64	100	80.77	100	100	14.1	12.17	13.56	13.84
PG 32:0	12.99	7.66	12.64	4.51	5.18	0.13	3.17	2.63	0.01	0	0.01	0.01	7.77	4.57	5.82	4.65
PG 33:1	0.75	0.9	1.17	2.11	0.42	0.44	0.48	1.46	17.47	19.13	19.12	14.15	2.7	2.06	1.89	3.33
PG 34:3	9.55	10.99	11.59	8.88	0.5	0.91	1.63	0.05	0.68	0.74	0.6	0.35	0.2	0.33	0.64	0.21
PG 34:2	59.81	70.35	78.48	57.38	11.94	17.76	20.3	15.52	69.47	76.87	71.64	40.04	13.26	16.71	19.27	15.13
PG 34:1	100	100	100	100	100	100	100	100	65.81	70.11	79.87	78.46	100	100	100	100
PG 36:3	7.55	8.34	7.67	8.43	0.74	3.25	3.98	1.61	2.5	2.79	2.2	0.91	0.69	1.63	2.9	0.72
PG 36:2	40.75	33.73	26.84	46.64	14.51	39.96	35.23	23.45	83.54	100	89.7	63.6	28.77	42.68	47.61	35.82
PG 36:1	18.36	8.88	5.43	25.34	83.51	88.99	88.84	88.56	9.99	11.39	10.36	7.36	23.36	36.82	40.77	27.67
CL 62:2	60.67	51.75	49.88	32.83	2.69	2.52	2.47	2.73	29.63	30.46	28.86	24.66	0.33	0.44	0.44	0.41
CL 62:1	44.95	29.46	32.2	16.95	4.21	2.41	3.34	2.77	20.72	14.61	20.08	30.14	0.95	0.71	1.17	0.98
CL 64:4	18.97	24.76	24.52	15.9	0.60	0.76	0.69	0.65	3.17	3.90	2.65	13.16	0.07	0.13	0.11	0.01
CL 64:3	60.71	69.42	71.2	48.69	3.06	2.76	3.29	3.5	30.93	44.09	32.64	16.08	0.65	0.78	1.13	0.73
CL 64:2	95.02	91.5	93.35	67.55	21.09	11.81	14.72	14.08	88.21	88.57	87.53	83.8	5.19	4.83	5.75	4.17
CL 64:1	39.27	31.01	28.79	17.17	9.56	5.40	6.48	4.01	24.67	20.79	30.79	36.48	5.32	4.54	6.37	3.98
CL 65:2	1.78	1.87	2.16	3.43	0.68	0.61	0.70	1.16	17.51	20.04	17.21	13.77	1.09	1.34	1.03	1.23
CL 66:4	32.46	43.71	47.62	2.19	2.22	2.48	2.52	2.17	10.13	16.58	9.60	4.62	0.56	0.78	0.98	0.61
CL 66:3	89.77	100	100	88.55	14.15	13.92	14.35	12.75	79.21	100	78.85	44.94	5.13	7.33	7.17	4.92
CL 66:2	100	91.27	76.98	94.59	71.96	48.92	51.84	49.09	100	83.44	100	100	26.77	27.17	26.19	21.07
CL 68:4	35.26	42.91	39.86	43.55	4.48	8.81	6.73	4.7	23.73	33.86	24.5	8.7	2.07	4.18	4.00	4.63
CL 68:3	70.78	73.73	53.09	100	29.99	44.41	38.02	32.48	79.94	83.89	94.09	57.62	27.48	36.43	34.24	27.8
CL 68:2	48.82	39.39	18.19	76.05	100	100	96.17	100	32.45	0.20	51.44	40.74	100	100	100	100
CL 70:4	14.42	15.84	11.8	27.92	4.72	14.78	10.62	7.28	17.3	22.55	28.47	9.3	5.14	10.54	10.69	6.55
CL 70:3	15.06	14.06	7.84	38.31	21.2	52.11	46.33	39.06	12.78	5.35	32.50	19.11	40.08	49.69	62.37	45.54
CL 70:2	4.15	4.48	2.19	11.15	43.46	56.2	71.28	75.55	4.83	2.25	9.48	6.15	36.33	28.26	54.78	30.51
DeoxCL 64:4	38.52	45.11	51.18	28.23	2.37	1.31	2.89	1.94	21.62	35.07	24.31	11.19	0.45	0.41	0.11	1.1
DeoxCL 64:3	56.9	57.66	70.19	37.75	15.19	8.03	12.82	7.85	63.7	72.44	60.04	64.71	3.53	3.27	0.94	5.83
DeoxCL 64:2	17.68	17.13	20.7	9.13	6.01	3.44	5.21	1.91	15.66	16.61	15.17	28.9	3.46	3.07	1.5	5.41
DeoxCL 66:5	21.6	32.95	41.07	20.45	1.42	1.23	2.14	1.22	8.29	14.04	6.09	3.42	0.38	0.56	0.69	0.29
DeoxCL 66:4	60.82	76.44	86.06	61.3	11.29	9.36	13.33	7.49	63.26	94.51	47.4	44.82	4.38	5.25	4.80	2.58
DeoxCL 66:3	63.36	67.46	62.59	57.69	51.63	34.2	46.92	29.52	79.2	74.64	54.79	99.61	22.05	20.48	16.62	11.1
DeoxCL 68:5	25.94	37.73	39.32	31.22	3.7	6.52	7.03	3.44	21.22	33.01	14.34	8.31	1.93	3.65	2.79	1.6
DeoxCL 68:4	52.26	66.63	52.7	71.08	24.83	34.29	39.89	22.98	70.16	80.58	62.87	63.17	23.97	31.8	23.08	16.54
DeoxCL 68:3	32.7	32.41	18.59	48.49	82.24	75.82	100	69.41	26.21	3.35	1.75	44.9	90.45	85.35	66.97	60.31
DeoxCL 70:5	12.03	16.43	10.44	21.04	4.55	13.06	12.70	5.86	15.84	13.82	22.87	10.53	4.67	9.47	6.96	4.61
DeoxCL 70:4	11.62	13.54	6.69	28.4	18.66	50.76	53.87	0.15	12.31	5.73	26.37	22.15	38.74	47.34	43.25	30.54
DeoxCL 70:3	0.01	3.88	2.84	7.6	41.92	49.54	84.74	56.93	4.66	4.35	7.45	7.07	34.65	26.07	39.82	17.27
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	m/z values
MGDG 32:2	785.54
MGDG 32:1	787.56
MGDG 34:3	811.56
MGDG 34:2	813.57
MGDG 34:1	815.59
MGDG 35:2	827.59
MGDG 35:1	829.6
MGDG 36:3	839.59
MGDG 36:2	841.6
MGDG 36:1	843.62
DGDG 32:2	947.59
DGDG 32:1	949.61
DGDG 34:2	975.62
DGDG 34:1	977.64
DGDG 36:2	1003.65
DGDG 36:1	1005.67
PG 28:0	665.44
PG 30:2	689.44
PG 30:1	691.45
PG 30:0	693.47
PG 32:2	717.47
PG 32:1	719.48
PG 32:0	721.5
PG 33:1	733.5
PG 34:3	743.48
PG 34:2	745.5
PG 34:1	747.51
PG 36:3	771.51
PG 36:2	773.53
PG 36:1	775.55
CL 62:2	1319.9
CL 62:1	1321.91
CL 64:4	1343.9
CL 64:3	1345.91
CL 64:2	1347.93
CL 64:1	1349.95
CL 65:2	1361.95
CL 66:4	1371.93
CL 66:3	1373.94
CL 66:2	1375.96
CL 68:4	1399.96
CL 68:3	1401.98
CL 68:2	1403.99
CL 70:4	1427.99
CL 70:3	1430.01
CL 70:2	1432.02
DeoxCL 64:4	1327.9
DeoxCL 64:3	1329.92
DeoxCL 64:2	1331.93
DeoxCL 66:5	1353.92
DeoxCL 66:4	1355.93
DeoxCL 66:3	1357.95
DeoxCL 68:5	1381.95
DeoxCL 68:4	1383.97
DeoxCL 68:3	1385.98
DeoxCL 70:5	1409.98
DeoxCL 70:4	1412
DeoxCL 70:3	1414.01
METABOLITES_END
#END