#METABOLOMICS WORKBENCH wongw24_20240814_140925 DATATRACK_ID:5107 STUDY_ID:ST003409 ANALYSIS_ID:AN005598 PROJECT_ID:PR002111
VERSION             	1
CREATED_ON             	August 15, 2024, 9:57 am
#PROJECT
PR:PROJECT_TITLE                 	Inhibition of GPX4 enhances CDK4/6 inhibitor and endocrine therapy activity in
PR:PROJECT_TITLE                 	breast cancer.
PR:PROJECT_TYPE                  	MS quantitative analysis
PR:PROJECT_SUMMARY               	CDK4/6 inhibition in combination with endocrine therapy is the standard of care
PR:PROJECT_SUMMARY               	for estrogen receptor (ER+) breast cancer, and although cytostasis is frequently
PR:PROJECT_SUMMARY               	observed, new treatment strategies that enhance efficacy are required. We
PR:PROJECT_SUMMARY               	performed two independent genome-wide CRISPR screens to identify genetic
PR:PROJECT_SUMMARY               	determinants of CDK4/6 and endocrine therapy sensitivity. Genes involved in
PR:PROJECT_SUMMARY               	oxidative stress and ferroptosis modulated sensitivity, with GPX4 the top
PR:PROJECT_SUMMARY               	sensitiser in both screens. Depletion or inhibition of GPX4 increased
PR:PROJECT_SUMMARY               	sensitivity to palbociclib and giredestrant, and their combination, in ER+
PR:PROJECT_SUMMARY               	breast cancer models, with GPX4 null xenografts being highly sensitive to
PR:PROJECT_SUMMARY               	palbociclib. GPX4 perturbation additionally sensitised triple negative breast
PR:PROJECT_SUMMARY               	cancer models to palbociclib. Palbociclib and giredestrant induced oxidative
PR:PROJECT_SUMMARY               	stress and disordered lipid metabolism, leading to a ferroptosis-sensitive
PR:PROJECT_SUMMARY               	state. Lipid peroxidation was promoted by a peroxisome AGPAT3-dependent pathway
PR:PROJECT_SUMMARY               	in ER+ breast cancer models, rather than the classical ACSL4 pathway. Our data
PR:PROJECT_SUMMARY               	demonstrate that CDK4/6 and ER inhibition creates vulnerability to ferroptosis
PR:PROJECT_SUMMARY               	induction, that could be exploited through combination with GPX4 inhibitors, to
PR:PROJECT_SUMMARY               	enhance sensitivity to the current therapies in breast cancer.
PR:INSTITUTE                     	Genentech Inc.
PR:LAST_NAME                     	Wong
PR:FIRST_NAME                    	Weng Ruh
PR:ADDRESS                       	1 DNA Way, South San Francisco, CA 94080, USA
PR:EMAIL                         	wongw24@gene.com
PR:PHONE                         	4089048962
PR:CONTRIBUTORS                  	Herrera-Abrey MT, Guan J, Khalid U, Ning J, Costa MR, Chan J, Li Q, Fortin J-P,
PR:CONTRIBUTORS                  	Perampalam P, Biton A, Sandoval W, Vijay J, Hafner M, Cutts R, Wilson G, Frankum
PR:CONTRIBUTORS                  	J, Roumeliotis TI, Alexander J, Hickman O, Brough R, Haider S, Choudhary J, Lord
PR:CONTRIBUTORS                  	CJ, Swain, A, Metcalfe C, Tuner NC
#STUDY
ST:STUDY_TITLE                   	Impact of giredestrant on the lipid profile of MCF-7 breast cancer cells
ST:STUDY_SUMMARY                 	Based on some recent data from a giredestrant resistance/sensitivity screen, we
ST:STUDY_SUMMARY                 	have an evolving hypothesis that exposure to giredestrant might be altering
ST:STUDY_SUMMARY                 	levels of polyunsaturated fatty acids, and perhaps otherwise altering lipid
ST:STUDY_SUMMARY                 	homeostasis in cells. The sensitivity to ferroptosis results from peroxidation
ST:STUDY_SUMMARY                 	of PUFAs-PLs. We thus investigated whether giredestrant altered PL homeostasis
ST:STUDY_SUMMARY                 	with a time course analysis of MCF-7 cell lipid profile. MCF-7 cells were
ST:STUDY_SUMMARY                 	treated with 0.6 nM of giredestrant and DMSO respectively on Day 0 and collected
ST:STUDY_SUMMARY                 	on Day 2, Day 7 and Day 14 for lipid profile analysis. Giredestrant appeared to
ST:STUDY_SUMMARY                 	provoke, in MCF-7 cells, a broad remodelling of lipids towards PUFA-containing
ST:STUDY_SUMMARY                 	species, specifically after longer duration (7 and 14 day) treatment. We
ST:STUDY_SUMMARY                 	observed that giredestrant increases PUFA-containing phospholipids at the
ST:STUDY_SUMMARY                 	expense of MUFA-phospholipids.
ST:INSTITUTE                     	Genentech Inc.
ST:LAST_NAME                     	Wong
ST:FIRST_NAME                    	Weng Ruh
ST:ADDRESS                       	1 DNA Way, South San Francisco, CA 94080, USA
ST:EMAIL                         	wongw24@gene.com
ST:PHONE                         	4089048962
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:GENOTYPE_STRAIN               	MCF-7
#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           	-	T0_DMSO_1	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_0	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-07.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-07.mzML
SUBJECT_SAMPLE_FACTORS           	-	T0_DMSO_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_0	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-27.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-27.mzML
SUBJECT_SAMPLE_FACTORS           	-	T0_DMSO_3	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_0	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-16.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-16.mzML
SUBJECT_SAMPLE_FACTORS           	-	T0_DMSO_4	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_0	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-13.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-13.mzML
SUBJECT_SAMPLE_FACTORS           	-	T2_DMSO_1	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_2	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-01.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-01.mzML
SUBJECT_SAMPLE_FACTORS           	-	T2_DMSO_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_2	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-20.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-20.mzML
SUBJECT_SAMPLE_FACTORS           	-	T2_DMSO_3	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_2	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-28.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-28.mzML
SUBJECT_SAMPLE_FACTORS           	-	T2_DMSO_4	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_2	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-14.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-14.mzML
SUBJECT_SAMPLE_FACTORS           	-	T2_9545_1	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_2	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-26.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-26.mzML
SUBJECT_SAMPLE_FACTORS           	-	T2_9545_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_2	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-15.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-15.mzML
SUBJECT_SAMPLE_FACTORS           	-	T2_9545_3	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_2	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-09.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-09.mzML
SUBJECT_SAMPLE_FACTORS           	-	T2_9545_4	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_2	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-06.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-06.mzML
SUBJECT_SAMPLE_FACTORS           	-	T7_DMSO_1	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_7	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-11.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-11.mzML
SUBJECT_SAMPLE_FACTORS           	-	T7_DMSO_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_7	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-04.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-04.mzML
SUBJECT_SAMPLE_FACTORS           	-	T7_DMSO_3	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_7	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-19.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-19.mzML
SUBJECT_SAMPLE_FACTORS           	-	T7_DMSO_4	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_7	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-23.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-23.mzML
SUBJECT_SAMPLE_FACTORS           	-	T7_9545_1	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_7	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-05.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-05.mzML
SUBJECT_SAMPLE_FACTORS           	-	T7_9545_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_7	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-22.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-22.mzML
SUBJECT_SAMPLE_FACTORS           	-	T7_9545_3	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_7	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-08.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-08.mzML
SUBJECT_SAMPLE_FACTORS           	-	T7_9545_4	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_7	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-17.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-17.mzML
SUBJECT_SAMPLE_FACTORS           	-	T14_DMSO_1	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_14	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-24.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-24.mzML
SUBJECT_SAMPLE_FACTORS           	-	T14_DMSO_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_14	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-21.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-21.mzML
SUBJECT_SAMPLE_FACTORS           	-	T14_DMSO_3	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_14	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-02.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-02.mzML
SUBJECT_SAMPLE_FACTORS           	-	T14_DMSO_4	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_14	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-12.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-12.mzML
SUBJECT_SAMPLE_FACTORS           	-	T14_9545_1	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_14	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-18.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-18.mzML
SUBJECT_SAMPLE_FACTORS           	-	T14_9545_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_14	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-10.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-10.mzML
SUBJECT_SAMPLE_FACTORS           	-	T14_9545_3	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_14	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-03.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-03.mzML
SUBJECT_SAMPLE_FACTORS           	-	T14_9545_4	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_14	RAW_FILE_NAME_1=Lipidomics - 20230404 - 1-25.mzML; RAW_FILE_NAME_2=Lipidomics - 20230404 - 2-25.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	MCF7 were seeded at 4x106 cells in 17 T175 flasks in RPMI medium overnight. On
CO:COLLECTION_SUMMARY            	day 0, the cells from 4 untreated flasks were trypsinized and washed; 2 x106
CO:COLLECTION_SUMMARY            	cells were collected and frozen
CO:SAMPLE_TYPE                   	Breast cancer cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Time-points (n = 4; 2x10^6 cells for pelleting and submission) - Time 0 - DMSO @
TR:TREATMENT_SUMMARY             	48h, 7 days, 14 days - GDC-9545 0.6 nM @ 48h, 7 days, 14 days - Total of 28
TR:TREATMENT_SUMMARY             	samples
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Cells were extracted with dichloromethane and methanol
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	DMS off with switching pos/neg polarity
CH:CHROMATOGRAPHY_TYPE           	None (Direct infusion)
CH:INSTRUMENT_NAME               	Sciex QTRAP 6500+
CH:COLUMN_NAME                   	none
CH:SOLVENT_A                     	dichloromethane/methanol (1:1), 10 mM ammonium acetate
CH:SOLVENT_B                     	dichloromethane/methanol (1:1), 10 mM ammonium acetate
CH:FLOW_GRADIENT                 	none
CH:FLOW_RATE                     	7 ul/min
CH:COLUMN_TEMPERATURE            	none
CH:SAMPLE_INJECTION              	50 ul
CH:CHROMATOGRAPHY_COMMENTS       	Method 2 with DMS off with switching pos/neg polarity
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 6500+
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	DMS off Data processing with Lipidyzer platform
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	nmol/300 ug protein
MS_METABOLITE_DATA_START
Samples	T2_DMSO_1	T14_DMSO_3	T14_9545_3	T7_DMSO_2	T7_9545_1	T2_9545_4	T0_DMSO_1	T7_9545_3	T2_9545_3	T14_9545_2	T7_DMSO_1	T14_DMSO_4	T0_DMSO_4	T2_DMSO_4	T2_9545_2	T0_DMSO_3	T7_9545_4	T14_9545_1	T7_DMSO_3	T2_DMSO_2	T14_DMSO_2	T7_9545_2	T7_DMSO_4	T14_DMSO_1	T14_9545_4	T2_9545_1	T0_DMSO_2	T2_DMSO_3
Factors	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_14	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_14	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_7	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_7	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_0	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_7	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_14	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_7	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_14	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_0	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_0	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_7	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_14	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_7	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_14	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_7	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_7	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_14	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_14	Sample source:MCF7 Breast Cancer Cells | Treatment:Giredestrant_0.6nM | Time:Day_2	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_0	Sample source:MCF7 Breast Cancer Cells | Treatment:Control | Time:Day_2
CER(16:0)	6.342671047	6.030283485	5.294852955	5.248663984	5.022334214	5.098025025	6.088551696	4.82134153	5.422119326	5.486321274	5.277177742	6.00879765	6.229826347	5.976366909	5.436436076	5.7936426	4.82509142	5.241209797	5.012318109	5.60666137	6.167851472	4.733125516	4.505956519	5.996920044	5.229028859	5.572898916	5.755260975	5.387446834
CER(22:0)	2.046270392	1.933677715	2.647138156	1.9311343	2.796004549	2.062074837	2.030764954	2.558623186	2.195764399	2.882180569	2.027196474	1.993868637	2.063423711	1.97435627	1.998470979	2.120413642	2.654393921	2.729062774	1.784161579	1.921694196	1.882209165	2.541868359	1.717862104	1.805053712	2.66829444	2.131437102	2.1972006	1.979141006
CER(24:0)	4.901464834	4.045514635	7.800393715	4.569262732	6.36288655	4.161104716	4.668349731	5.612392978	4.544454125	7.881483113	4.417944238	4.327773283	4.405626737	4.4207006	4.270621196	4.156781209	5.710501675	7.196568584	4.167684728	4.542394056	4.252680869	5.185820718	3.845578506	3.95085347	7.401006118	4.355819172	4.404695112	4.020224607
CER(24:1)	6.469888809	6.323322822	4.757479088	6.393047623	4.544071609	5.527769563	5.902654796	4.085132061	5.517130453	4.994458928	6.081760131	6.160563902	6.145068786	6.175153752	5.547705142	5.571543292	4.107742321	4.513415855	5.593454376	6.056227986	6.100701561	3.947775839	5.294149636	5.968747826	4.579068578	5.439159264	5.877303122	5.793313588
DAG(16:0_18:1)	24.61363752	27.24966872	18.18926472	21.41201313	17.39246993	20.22393085	23.38079138	18.0397496	21.1000689	20.05809617	21.60977941	26.82596254	22.32812234	22.12822854	21.05633757	20.79392736	18.54776386	18.53829584	19.39937216	22.1153094	29.16351151	17.89865317	19.58200376	27.89162283	17.32594186	21.0470536	20.77113698	20.99699566
DAG(18:1_18:1)	27.96706556	29.59990498	12.59878188	22.50904116	13.63106995	19.1721043	25.93544771	13.76028664	20.82749471	12.95514178	22.57543425	28.89746505	26.10758499	26.14649957	20.85459476	22.79639526	14.81370119	12.89543401	22.25825244	25.21971765	33.79062944	13.40436424	21.90579528	32.6458667	12.060568	21.28771397	25.54554077	23.55070697
HCER(16:0)	8.766395048	9.13438126	2.848713254	8.660944024	4.493024465	6.222444279	7.22936188	4.158494204	6.296543623	3.281498216	8.41627883	9.676795709	7.329302041	8.013661041	6.018530619	6.89851477	4.249002263	2.934596912	7.566536551	7.958607092	9.389164691	3.759573106	7.532237195	8.524929774	2.806786243	6.035639446	7.292771333	7.394749283
HCER(22:0)	4.351986112	4.012946307	3.148943148	4.115719907	4.439499684	3.494905965	3.966689001	4.345895267	3.749397234	3.636089447	4.23592681	4.175335428	3.918766333	4.069594136	3.634093279	3.942139057	4.280640015	3.338871407	3.78522833	3.948221503	4.085735286	4.127413471	3.662954263	3.651509725	3.144976152	3.673542839	4.148188313	3.78102589
HCER(24:0)	10.085598	9.217442388	7.969086735	9.967316324	9.639339563	7.361966278	8.330081517	8.818831614	7.63507117	8.991811345	10.18587957	10.45719162	8.651823849	9.349798892	7.558595083	7.808713771	8.912655386	8.336546725	9.293077296	9.159908857	10.15651195	8.65259936	9.092668411	8.989927376	7.990053876	7.340541766	8.540686136	8.443448463
HCER(24:1)	10.12113953	10.58978157	3.88511546	10.27252063	4.7879731	7.024089619	7.97599661	4.690470404	7.076437116	4.687321481	10.88276072	11.46178187	8.760534528	9.574873683	6.632176945	7.727973098	4.74766264	4.050128761	9.815983254	9.580856345	11.53097967	4.565727044	9.576296779	10.11324134	3.939005215	7.032647767	8.776826718	8.965959522
TAG44:0-FA14:0	1.473600952		0.877526271	0.922054496	1.539981571	1.697014767	1.612435962	1.059740258	2.159173368	1.358879312	1.013597106	0.936070386	1.117497292	1.20471975	1.834024678	1.895648189	1.150171191	0.896052859	0.879120085	1.357171239	0.892012671	1.09565149			0.889022086	2.087827466	1.826212079	1.192452543
TAG44:0-FA16:0	1.345368129	0.835273975		0.874665726	1.384490415	1.613133751	1.309386857	1.120637352	1.76950978	1.127767969	0.937294219		0.990033482	1.145975329	1.696294876	1.398339297	1.087990313	0.898962893		1.16949175	0.847884154	1.09119277			0.958042365	1.946103648	1.396040083	1.085115595
TAG46:0-FA14:0	1.899525384	1.282413136	1.699399038	1.422284239	2.228377913	2.536567367	2.049411714	1.850633742	3.020444382	1.874030303	1.472279039	1.355648453	1.941318074	1.827350948	2.678788789	2.130344551	1.839537824	1.644559366	1.247018375	1.731310027	1.285943773	1.855177665	1.20623924	1.269243944	1.659018259	3.111651471	2.014143487	1.59942316
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TAG56:6-FA18:1	2.83751295	1.48417739	2.172675724	1.674503265	4.471015147	4.159711485	5.132665363	4.284216063	4.034954595	2.261328145	1.614469595	1.29808644	5.350050314	2.734251447	3.925380454	5.077209341	4.155288531	2.113231793	1.395407378	2.604826888	1.336059322	4.233813397	1.424026224	1.29620481	2.157957597	3.894087662	4.880208463	2.415079216
TAG56:6-FA20:4	2.848237604	1.43193125	1.976325213	1.579446207	4.097580114	3.905048156	4.807428271	4.084808401	3.91038289	2.092500328	1.620007529	1.360730939	4.818070144	2.549716683	3.860200722	4.523586049	3.834330357	1.938459359	1.296334037	2.450594945	1.306404444	3.667693594	1.311727081	1.280752002	1.899191926	3.740422364	4.461118463	2.370675433
TAG56:6-FA22:4	1.442040491	0.635699881	0.633355931	0.76463889	1.302608182	1.374617316	2.345256726	1.235045009	1.530782099	0.661926885	0.756098695	0.609483619	2.359492712	1.270949971	1.416361711	2.396427923	1.306211351	0.638799567	0.700479546	1.181698429	0.679213419	1.187944758	0.701052838	0.590486005	0.655632279	1.251571047	2.290957496	1.116797587
TAG56:6-FA22:5	3.03448079	1.439151556	2.989955992	1.704551524	6.139315586	4.070188906	5.482885983	5.822667448	4.438767666	3.192290325	1.773752814	1.380430334	5.516753932	2.812656581	3.991037727	5.220174259	5.712171314	2.651812296	1.522990714	2.680478632	1.352393858	5.430192012	1.474542308	1.329067577	2.833152234	3.911517022	4.898510406	2.464538771
TAG56:6-FA22:6	1.043706142	0.727436286	1.466393307	0.792326768	1.770853431	1.206612854	1.385141353	1.805469432	1.314413317	1.51519504	0.814869964	0.739004495	1.269883592	1.017038713	1.286777123	1.421025102	1.82494188	1.315927287	0.73695024	1.004091485	0.743559083	1.725972412	0.665467092	0.723398417	1.407860172	1.233445255	1.350227408	0.860739855
TAG56:7-FA16:0	0.956867124	0.697096556	1.049597872	0.762822018	1.57751927	0.977727987	1.305232444	1.460279265	1.088104013	1.151536784	0.763423488	0.692225309	1.246675952	0.993490605	1.083714415	1.21314581	1.515487212	1.017373033	0.696284819	0.922956066	0.662437782	1.371502019	0.679967197	0.689022118	1.057057399	1.06367846	1.211184438	0.83603542
TAG56:7-FA16:1	0.833252904	0.540372576	0.536095685	0.577734063	0.822445965	0.923165932	1.154496244	0.855061278	1.030613857	0.615764616	0.622168483		1.151155431	0.856644024	0.998077041	1.152623015	0.910172931	0.584316016	0.560754046	0.799477681		0.822462882	0.547442878		0.569990894	0.958006582	1.135742687	0.705679294
TAG56:7-FA22:5	1.343313487	0.723094474	0.893717198	0.867160132	1.661919031	1.527485012	2.03565703	1.686979368	1.579320937	0.986710436	0.847920212	0.673816637	2.107187805	1.220124837	1.549329627	2.087889413	1.867827565	0.885726498	0.701580164	1.151308535	0.68403337	1.531958235	0.722785958	0.66596251	0.897651777	1.494741725	1.919238866	1.132657589
TAG56:7-FA22:6	3.009257886	1.769071443	3.566810726	2.201002588	4.93525137	3.608959484	4.259191019	4.878012861	3.707688387	3.566840698	2.108325611	1.789695313	4.446754629	2.942143212	3.520475919	4.307723822	4.590069938	3.240109992	1.836158652	2.718562898	1.628468184	4.458710305	1.864145319	1.657190745	3.291737739	3.398924838	4.110407522	2.684627453
TAG56:8-FA22:6	1.590866038	0.863457239	1.052086099	1.051497528	1.500171591	1.442331235	2.009190153	1.458851617	1.555774024	1.118763511	1.01580962	0.877446172	1.942320085	1.340895125	1.562624166	1.916868528	1.589351129	1.031286493	0.882642948	1.322915019	0.838009916	1.469380887	0.907930665	0.804759428	0.980912557	1.405092415	1.825763434	1.183354688
TAG58:2-FA18:1	3.349622387	1.930435673	1.733820339	2.280272017	3.080999183	3.484809723	4.227216045	2.945243961	3.786082732	1.806129952	2.26431888	1.952982349	4.481098709	3.320600286	3.582939079	4.384246232	3.064219246	1.656661342	1.939886415	3.174119423	1.896290239	2.922062652	1.834092956	1.762742162	1.588665358	3.417988491	4.335784605	2.943633329
TAG58:3-FA18:1	4.083465336	2.54298725	1.12366625	2.838512239	2.501357061	4.144301985	5.268547333	2.497162821	4.435111494	1.351947126	2.856172828	2.513596234	5.697586572	4.101262972	4.105210381	5.228851362	2.435175335	1.089164336	2.423424784	3.853530465	2.253586951	2.324722941	2.450816009	2.129021108	1.08510713	3.927548876	5.104988894	3.420476653
TAG58:5-FA18:1	2.408005917	1.201733427	0.989980159	1.317661431	2.284954732	2.666747592	4.404341323	2.256310375	2.8216582	1.022963648	1.306788368	1.131667815	4.752468716	2.475073094	2.652866466	4.338387741	2.319493948	0.911289062	1.131824732	2.242751228	1.157013515	2.231910598	1.143812963	1.175013568	0.92050903	2.573425964	4.130110904	2.089959727
TAG58:6-FA16:0	0.997381195	0.710579276	0.590956348	0.710267329	0.889538345	0.968126722	1.562090289	0.889931238	0.969981526	0.678768129	0.806006609	0.724611876	1.491549842	0.977638048	1.032559048	1.503240655	1.006253922	0.567263844	0.643220866	0.930152791	0.699669495	0.887041107	0.657156367	0.680093152	0.618737222	0.994012092	1.478872914	0.863489485
TAG58:6-FA18:0	1.101016189	0.65255689	0.968787847	0.73875753	1.926850095	1.416315393	1.724781447	1.992763567	1.4747612	1.033814228	0.800685936	0.631921039	1.786907578	1.045476364	1.381208445	1.735738817	1.967099735	0.934614174	0.634380557	1.031146195	0.643130407	1.810763498	0.690390745	0.618973449	0.931933344	1.417637468	1.730433294	0.968279541
TAG58:6-FA18:1	4.016541878	1.768349412	1.436210468	2.013750951	4.016884073	4.364555309	7.806229608	3.891837094	4.450424745	1.507801323	1.982079338	1.65524853	7.741519939	3.818853469	4.286153066	7.332320996	3.952547632	1.34261082	1.632455837	3.669975695	1.635139842	3.506425493	1.58514182	1.639789483	1.33838706	4.147045525	7.354661793	3.366966568
TAG58:6-FA20:4	0.909674018	0.629437468	0.703425195	0.63935758	1.124354165	1.064376753	1.33585892	1.086497927	1.134669295	0.735328679	0.658078593	0.578362384	1.423258453	0.861533566	1.118642426	1.320688864	1.09000107	0.642184891	0.608513814	0.880369062	0.557405111	1.013513453	0.593882405	0.566552203	0.694657804	1.044155163	1.288217259	0.766944097
TAG58:6-FA22:4	2.462161655	1.060148024	0.88972307	1.275987265	2.405440734	2.651045155	4.957101231	2.342575687	2.884748992	0.920231599	1.253781161	1.047631169	5.320763362	2.55975213	2.638666402	4.810870477	2.536265266	0.831915528	1.088034262	2.353362595	1.054737727	2.286311408	1.096930425	1.060581026	0.856444031	2.618745086	4.979382149	2.102005727
TAG58:6-FA22:5	1.684980225	0.862725581	1.327212174	0.979526643	3.055218292	2.203947422	2.864662042	3.040127687	2.175650388	1.407123084	0.990962076	0.785364725	2.962158337	1.610230114	2.008268286	2.674365182	3.049192425	1.262972737	0.834224577	1.383728303	0.80261153	2.850545683	0.867241768	0.825409563	1.271937143	2.02461934	2.678924478	1.40373903
TAG58:7-FA18:1	3.39338916	2.093975623	2.332864671	2.386194069	4.350469085	3.986994777	5.58418934	4.342071644	3.990261041	2.319767123	2.337979167	2.09717938	5.706981261	3.299145032	3.940495052	5.487260319	4.369748376	2.248564072	2.203327616	3.204308345	2.179560031	4.06741666	2.081139994	2.031507064	2.127320252	3.721827642	5.272490763	3.145978237
TAG58:7-FA22:5	2.487928605	1.21160118	1.360885511	1.449200853	3.515720765	2.922294783	4.426166253	3.484723263	2.970193835	1.48611401	1.387972972	1.150292312	4.488509552	2.436567369	2.891906872	4.238928855	3.627805823	1.312102542	1.218278531	2.125895361	1.158846843	3.174364046	1.119941462	1.131068967	1.289632108	2.735392725	4.203758074	2.117874176
TAG58:7-FA22:6	1.645293799	1.057510205	1.510288818	1.153501142	2.761618436	1.913843758	2.478929233	2.598253715	1.931331769	1.665741638	1.111830035	0.972058281	2.562712553	1.636346514	1.925532193	2.420559911	2.661399008	1.44714337	0.929297678	1.505330945	0.992680277	2.493036263	0.967796847	0.894375273	1.578521913	1.826229209	2.234950865	1.426990511
TAG58:8-FA22:6	2.569327162	1.600968259	1.535235909	1.785839698	2.985573349	2.63970647	3.822132283	3.005243402	2.660267775	1.589778351	1.724274988	1.526091595	3.651366737	2.522668054	2.602796826	3.422861753	2.902456506	1.473840355	1.461086452	2.352644837	1.458589015	2.676886335	1.408691212	1.49420342	1.515328077	2.322241679	3.43510881	2.259287955
TAG58:9-FA22:6	0.687656908		0.628359532	0.559358298	0.977917102	0.702387341	1.013132109	1.022946076	0.746363437	0.718473589	0.567609414		1.017612309	0.721414862	0.754946007	1.003858899	1.095176078	0.626702075		0.708528111	0.521331288	1.00042567	0.515277691	0.540235023	0.693161301	0.699319408	1.049454827	0.616322647
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Q1	Q3
CER(16:0)	538.6	264.4
CER(22:0)	622.7	264.4
CER(24:0)	650.8	264.4
CER(24:1)	648.8	264.4
DAG(16:0_18:1)	612.6	313.2
DAG(18:1_18:1)	638.4	339.3
HCER(16:0)	700.7	264.4
HCER(22:0)	784.9	264.4
HCER(24:0)	812.9	264.4
HCER(24:1)	810.9	264.4
TAG44:0-FA14:0	768.7	523.5
TAG44:0-FA16:0	768.7	495.4
TAG46:0-FA14:0	796.7	551.5
TAG46:0-FA16:0	796.7	523.4
TAG46:1-FA12:0	794.7	577.5
TAG46:1-FA14:0	794.7	549.5
TAG46:1-FA16:0	794.7	521.4
TAG46:1-FA16:1	794.7	523.4
TAG46:1-FA18:1	794.7	495.4
TAG46:2-FA16:1	792.7	521.4
TAG46:2-FA18:1	792.7	493.4
TAG47:1-FA16:1	808.7	537.4
TAG48:0-FA14:0	824.7	579.5
TAG48:0-FA16:0	824.7	551.4
TAG48:0-FA18:0	824.7	523.4
TAG48:1-FA14:0	822.7	577.5
TAG48:1-FA16:0	822.7	549.4
TAG48:1-FA16:1	822.7	551.4
TAG48:1-FA18:0	822.7	521.4
TAG48:1-FA18:1	822.7	523.4
TAG48:2-FA12:0	820.7	603.5
TAG48:2-FA14:0	820.7	575.5
TAG48:2-FA14:1	820.7	577.5
TAG48:2-FA16:0	820.7	547.4
TAG48:2-FA16:1	820.7	549.4
TAG48:2-FA18:1	820.7	521.4
TAG49:1-FA15:0	836.8	577.5
TAG49:1-FA16:0	836.8	563.5
TAG49:1-FA18:1	836.8	537.5
TAG49:2-FA16:1	834.8	563.5
TAG49:2-FA18:1	834.8	535.5
TAG50:0-FA16:0	852.8	579.5
TAG50:0-FA18:0	852.8	551.5
TAG50:1-FA14:0	850.8	605.6
TAG50:1-FA16:0	850.8	577.5
TAG50:1-FA16:1	850.8	579.5
TAG50:1-FA18:0	850.8	549.5
TAG50:1-FA18:1	850.8	551.5
TAG50:1-FA20:1	850.8	523.5
TAG50:2-FA14:0	848.8	603.6
TAG50:2-FA16:0	848.8	575.5
TAG50:2-FA16:1	848.8	577.5
TAG50:2-FA18:0	848.8	547.5
TAG50:2-FA18:1	848.8	549.5
TAG50:2-FA18:2	848.8	551.5
TAG50:3-FA14:0	846.8	601.6
TAG50:3-FA14:1	846.8	603.6
TAG50:3-FA16:0	846.8	573.5
TAG50:3-FA16:1	846.8	575.5
TAG50:3-FA18:1	846.8	547.5
TAG50:3-FA18:2	846.8	549.5
TAG51:1-FA16:0	864.8	591.5
TAG51:1-FA17:0	864.8	577.5
TAG51:1-FA18:0	864.8	563.5
TAG51:1-FA18:1	864.8	565.5
TAG51:2-FA15:0	862.8	603.5
TAG51:2-FA16:1	862.8	591.5
TAG52:0-FA16:0	880.8	607.5
TAG52:0-FA20:0	880.8	551.5
TAG52:1-FA16:0	878.8	605.5
TAG52:1-FA16:1	878.8	607.5
TAG52:1-FA18:0	878.8	577.5
TAG52:1-FA18:1	878.8	579.5
TAG52:1-FA20:0	878.8	549.5
TAG52:1-FA20:1	878.8	551.5
TAG52:2-FA14:0	876.8	631.6
TAG52:2-FA16:0	876.8	603.5
TAG52:2-FA16:1	876.8	605.5
TAG52:2-FA18:0	876.8	575.5
TAG52:2-FA18:1	876.8	577.5
TAG52:2-FA18:2	876.8	579.5
TAG52:2-FA20:1	876.8	549.5
TAG52:2-FA20:2	876.8	551.5
TAG52:3-FA16:0	874.8	601.5
TAG52:3-FA16:1	874.8	603.5
TAG52:3-FA18:1	874.8	575.5
TAG52:3-FA18:2	874.8	577.5
TAG52:3-FA20:2	874.8	549.5
TAG52:4-FA16:0	872.8	599.5
TAG52:4-FA16:1	872.8	601.5
TAG52:4-FA18:1	872.8	573.5
TAG52:4-FA18:2	872.8	575.5
TAG52:4-FA20:3	872.8	549.5
TAG52:4-FA20:4	872.8	551.5
TAG52:5-FA14:0	870.8	625.6
TAG52:5-FA20:4	870.8	549.5
TAG52:5-FA22:5	870.8	523.5
TAG52:6-FA22:6	868.8	523.5
TAG53:1-FA18:0	892.8	591.5
TAG53:2-FA16:0	890.8	617.5
TAG53:2-FA17:0	890.8	603.5
TAG54:0-FA16:0	908.8	635.5
TAG54:1-FA16:0	906.8	633.5
TAG54:1-FA18:0	906.8	605.5
TAG54:1-FA18:1	906.8	607.5
TAG54:1-FA20:0	906.8	577.5
TAG54:1-FA20:1	906.8	579.5
TAG54:2-FA16:0	904.8	631.5
TAG54:2-FA18:0	904.8	603.5
TAG54:2-FA18:1	904.8	605.5
TAG54:2-FA20:0	904.8	575.5
TAG54:2-FA20:1	904.8	577.5
TAG54:3-FA16:0	902.8	629.5
TAG54:3-FA16:1	902.8	631.5
TAG54:3-FA18:0	902.8	601.5
TAG54:3-FA18:1	902.8	603.5
TAG54:3-FA18:2	902.8	605.5
TAG54:3-FA20:1	902.8	575.5
TAG54:3-FA20:2	902.8	577.5
TAG54:4-FA16:0	900.8	627.5
TAG54:4-FA16:1	900.8	629.5
TAG54:4-FA18:0	900.8	599.5
TAG54:4-FA18:1	900.8	601.5
TAG54:4-FA18:2	900.8	603.5
TAG54:4-FA20:2	900.8	575.5
TAG54:4-FA20:3	900.8	577.5
TAG54:4-FA20:4	900.8	579.5
TAG54:4-FA22:4	900.8	551.5
TAG54:5-FA16:0	898.8	625.5
TAG54:5-FA16:1	898.8	627.5
TAG54:5-FA18:1	898.8	599.5
TAG54:5-FA20:4	898.8	577.5
TAG54:5-FA22:4	898.8	549.5
TAG54:5-FA22:5	898.8	551.5
TAG54:6-FA16:0	896.8	623.5
TAG54:6-FA16:1	896.8	625.5
TAG54:6-FA20:4	896.8	575.5
TAG54:6-FA22:5	896.8	549.5
TAG54:6-FA22:6	896.8	551.5
TAG54:7-FA22:6	894.8	549.5
TAG55:3-FA18:1	916.8	617.5
TAG56:1-FA16:0	934.9	661.6
TAG56:1-FA18:1	934.9	635.6
TAG56:2-FA16:0	932.9	659.6
TAG56:2-FA18:0	932.9	631.6
TAG56:2-FA20:0	932.9	603.6
TAG56:2-FA20:1	932.9	605.6
TAG56:3-FA16:0	930.8	657.5
TAG56:3-FA18:0	930.8	629.5
TAG56:3-FA18:1	930.8	631.5
TAG56:3-FA20:1	930.8	603.5
TAG56:4-FA16:0	928.8	655.5
TAG56:4-FA18:0	928.8	627.5
TAG56:4-FA18:1	928.8	629.5
TAG56:4-FA18:2	928.8	631.5
TAG56:4-FA20:1	928.8	601.5
TAG56:4-FA20:2	928.8	603.5
TAG56:4-FA20:3	928.8	605.5
TAG56:4-FA20:4	928.8	607.5
TAG56:4-FA22:4	928.8	579.5
TAG56:5-FA16:0	926.8	653.5
TAG56:5-FA18:0	926.8	625.5
TAG56:5-FA18:1	926.8	627.5
TAG56:5-FA20:3	926.8	603.5
TAG56:5-FA20:4	926.8	605.5
TAG56:5-FA22:4	926.8	577.5
TAG56:5-FA22:5	926.8	579.5
TAG56:6-FA16:0	924.8	651.5
TAG56:6-FA18:1	924.8	625.5
TAG56:6-FA20:4	924.8	603.5
TAG56:6-FA22:4	924.8	575.5
TAG56:6-FA22:5	924.8	577.5
TAG56:6-FA22:6	924.8	579.5
TAG56:7-FA16:0	922.8	649.5
TAG56:7-FA16:1	922.8	651.5
TAG56:7-FA22:5	922.8	575.5
TAG56:7-FA22:6	922.8	577.5
TAG56:8-FA22:6	920.8	575.5
TAG58:2-FA18:1	960.9	661.6
TAG58:3-FA18:1	958.9	659.6
TAG58:5-FA18:1	954.9	655.6
TAG58:6-FA16:0	952.8	679.5
TAG58:6-FA18:0	952.8	651.5
TAG58:6-FA18:1	952.8	653.5
TAG58:6-FA20:4	952.8	631.5
TAG58:6-FA22:4	952.8	603.5
TAG58:6-FA22:5	952.8	605.5
TAG58:7-FA18:1	950.8	651.5
TAG58:7-FA22:5	950.8	603.5
TAG58:7-FA22:6	950.8	605.5
TAG58:8-FA22:6	948.8	603.5
TAG58:9-FA22:6	946.8	601.5
METABOLITES_END
#END