#METABOLOMICS WORKBENCH jravilap_20250728_115741 DATATRACK_ID:6222 STUDY_ID:ST004093 ANALYSIS_ID:AN006784 PROJECT_ID:PR002571
VERSION             	1
CREATED_ON             	August 5, 2025, 2:01 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolite profiling of Ankrd55-/- TH17 Cells
PR:PROJECT_SUMMARY               	Genome-wide association studies (GWAS) have linked the locus encoding Ankyrin
PR:PROJECT_SUMMARY               	Repeat Domain 55 (ANKRD55) with numerous autoimmune diseases; however, its
PR:PROJECT_SUMMARY               	biological function and role in inflammation are unclear. Here, we demonstrate
PR:PROJECT_SUMMARY               	that Ankrd55-deficient mice are protected from T cell-mediated colitis but are
PR:PROJECT_SUMMARY               	more susceptible to Citrobacter rodentium infection. Mechanistically, Ankrd55
PR:PROJECT_SUMMARY               	deletion impairs CD4+ T cell proliferation and reduces effector cytokine
PR:PROJECT_SUMMARY               	production in T helper 17 (TH17) cells in a cell-intrinsic manner. ANKRD55 is
PR:PROJECT_SUMMARY               	associated with mitochondria, and its loss is associated with impaired
PR:PROJECT_SUMMARY               	mitochondrial respiration and activation of the LKB1 pathway. Consistently,
PR:PROJECT_SUMMARY               	IL-17 production can be rescued by the deletion of LKB1 in Ankrd55-deficient T
PR:PROJECT_SUMMARY               	cells. Altogether, our study implicates the protein ANKRD55 as a functional
PR:PROJECT_SUMMARY               	modulator of T cell metabolism that directly impacts TH17 responses,
PR:PROJECT_SUMMARY               	highlighting it as a potential target across multiple autoimmune diseases.
PR:INSTITUTE                     	Broad Institute of MIT and Harvard
PR:LAST_NAME                     	Xavier
PR:FIRST_NAME                    	Ramnik
PR:ADDRESS                       	415 Main Street
PR:EMAIL                         	rxavier@broadinstitute.org
PR:PHONE                         	+1 (617) 714-7379
PR:PROJECT_COMMENTS              	Jinjin Xu, Lingjia Kong, Elizabeth A. Creasey, Sneha Rath, Lei Deng, Julian
PR:PROJECT_COMMENTS              	Avila-Pacheco, Chenhao Li, Blayne A. Oliver, Tyler Dao, Angela R. Shih, Mark J.
PR:PROJECT_COMMENTS              	Daly, Alex K. Shalek, Clary B. Clish, Daniel B. Graham, Jacques Deguine
#STUDY
ST:STUDY_TITLE                   	Autoimmune Disease Risk Gene ANKRD55 Promotes T Cell Proliferation and Th17 2
ST:STUDY_TITLE                   	Effector Function Through Metabolic Modulation
ST:STUDY_TYPE                    	TH17 Cell cultures
ST:STUDY_SUMMARY                 	ANKRD55, a gene linked to various autoimmune diseases through Genome-wide
ST:STUDY_SUMMARY                 	association studies (GWAS), plays a critical role in T cell function and
ST:STUDY_SUMMARY                 	inflammation. This study shows that Ankrd55-deficient mice are protected from T
ST:STUDY_SUMMARY                 	cell-mediated colitis but more vulnerable to Citrobacter rodentium infection,
ST:STUDY_SUMMARY                 	due to impaired CD4⁺ T cell proliferation and reduced TH17 cytokine
ST:STUDY_SUMMARY                 	production. To define the alterations in cellular metabolism caused by a
ST:STUDY_SUMMARY                 	Ankrd55-/- mutation in TH17 cells, we applied four metabolic profiling methods
ST:STUDY_SUMMARY                 	to in vitro differentiated TH17 cells. We found nucleotides were elevated in
ST:STUDY_SUMMARY                 	Ankrd55-/- compared to WT TH17 cells, with one-carbon units’ provider-folate
ST:STUDY_SUMMARY                 	(10-formyl-THF) being enriched. This was in accordance with the upregulated
ST:STUDY_SUMMARY                 	expression of enzymes in the SGOC pathway observed in Ankrd55-/- cells.
ST:INSTITUTE                     	Broad Institute of MIT and Harvard
ST:LAST_NAME                     	Xavier
ST:FIRST_NAME                    	Ramnik
ST:ADDRESS                       	415 Main Street
ST:EMAIL                         	rxavier@broadinstitute.org
ST:PHONE                         	+1 (617) 714-7379
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:CELL_STRAIN_DETAILS           	Naïve CD4+ T cells from either wild-type or Ankrd55-deficient C57BL/6 animals
#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           	-	PREFA01	Sample source:T-cells | Genotype:NA | Treatment:QC-drift_correction	RAW_FILE_NAME(C8-POS)=B0000c_XAV_JinJin_TH17_CP-PREFA01; RAW_FILE_NAME(HILIC-POS)=B0000k_XAV_Jinjin_TH17_HP-PREFA01; RAW_FILE_NAME(C18-NEG)=B0000g_XAV_Jinjin_TH17_CN-PREFA01; RAW_FILE_NAME(HILIC-NEG)=B0000e_XAV_Jinjin_TH17_HN-PREFA01
SUBJECT_SAMPLE_FACTORS           	-	PREFB01	Sample source:T-cells | Genotype:NA | Treatment:QC-pooled_ref	RAW_FILE_NAME(C8-POS)=B0000d_XAV_JinJin_TH17_CP-PREFB01; RAW_FILE_NAME(HILIC-POS)=B0000l_XAV_Jinjin_TH17_HP-PREFB01; RAW_FILE_NAME(C18-NEG)=B0000h_XAV_Jinjin_TH17_CN-PREFB01; RAW_FILE_NAME(HILIC-NEG)=B0000f_XAV_Jinjin_TH17_HN-PREFB01
SUBJECT_SAMPLE_FACTORS           	-	7	Sample source:T-cells | Genotype:WT | Treatment:25ng/mL IL-6 and 2ng/mL TGF-b1	RAW_FILE_NAME(C8-POS)=B00001_XAV_JinJin_TH17_CP-Th17n_WT-1; RAW_FILE_NAME(HILIC-POS)=B0001_XAV_Jinjin_TH17_HP-7; RAW_FILE_NAME(C18-NEG)=B0001_XAV_Jinjin_TH17_CN-7; RAW_FILE_NAME(HILIC-NEG)=B0001_XAV_Jinjin_TH17_HN-7
SUBJECT_SAMPLE_FACTORS           	-	2	Sample source:T-cells | Genotype:WT | Treatment:No added cytokines	RAW_FILE_NAME(C8-POS)=B00002_XAV_JinJin_TH17_CP-Th0_WT-2; RAW_FILE_NAME(HILIC-POS)=B0002_XAV_Jinjin_TH17_HP-2; RAW_FILE_NAME(C18-NEG)=B0002_XAV_Jinjin_TH17_CN-2; RAW_FILE_NAME(HILIC-NEG)=B0002_XAV_Jinjin_TH17_HN-2
SUBJECT_SAMPLE_FACTORS           	-	3	Sample source:T-cells | Genotype:WT | Treatment:No added cytokines	RAW_FILE_NAME(C8-POS)=B00003_XAV_JinJin_TH17_CP-Th0_WT-3; RAW_FILE_NAME(HILIC-POS)=B0003_XAV_Jinjin_TH17_HP-3; RAW_FILE_NAME(C18-NEG)=B0003_XAV_Jinjin_TH17_CN-3; RAW_FILE_NAME(HILIC-NEG)=B0003_XAV_Jinjin_TH17_HN-3
SUBJECT_SAMPLE_FACTORS           	-	5	Sample source:T-cells | Genotype:ankrd55 ko | Treatment:No added cytokines	RAW_FILE_NAME(C8-POS)=B00004_XAV_JinJin_TH17_CP-Th0_KO-2; RAW_FILE_NAME(HILIC-POS)=B0004_XAV_Jinjin_TH17_HP-5; RAW_FILE_NAME(C18-NEG)=B0004_XAV_Jinjin_TH17_CN-5; RAW_FILE_NAME(HILIC-NEG)=B0004_XAV_Jinjin_TH17_HN-5
SUBJECT_SAMPLE_FACTORS           	-	9	Sample source:T-cells | Genotype:WT | Treatment:25ng/mL IL-6 and 2ng/mL TGF-b1	RAW_FILE_NAME(C8-POS)=B00005_XAV_JinJin_TH17_CP-Th17n_WT-3; RAW_FILE_NAME(HILIC-POS)=B0005_XAV_Jinjin_TH17_HP-9; RAW_FILE_NAME(C18-NEG)=B0005_XAV_Jinjin_TH17_CN-9; RAW_FILE_NAME(HILIC-NEG)=B0005_XAV_Jinjin_TH17_HN-9
SUBJECT_SAMPLE_FACTORS           	-	8	Sample source:T-cells | Genotype:WT | Treatment:25ng/mL IL-6 and 2ng/mL TGF-b1	RAW_FILE_NAME(C8-POS)=B00006_XAV_JinJin_TH17_CP-Th17n_WT-2; RAW_FILE_NAME(HILIC-POS)=B0006_XAV_Jinjin_TH17_HP-8; RAW_FILE_NAME(C18-NEG)=B0006_XAV_Jinjin_TH17_CN-8; RAW_FILE_NAME(HILIC-NEG)=B0006_XAV_Jinjin_TH17_HN-8
SUBJECT_SAMPLE_FACTORS           	-	4	Sample source:T-cells | Genotype:ankrd55 ko | Treatment:No added cytokines	RAW_FILE_NAME(C8-POS)=B00007_XAV_JinJin_TH17_CP-Th0_KO-1; RAW_FILE_NAME(HILIC-POS)=B0007_XAV_Jinjin_TH17_HP-4; RAW_FILE_NAME(C18-NEG)=B0007_XAV_Jinjin_TH17_CN-4; RAW_FILE_NAME(HILIC-NEG)=B0007_XAV_Jinjin_TH17_HN-4
SUBJECT_SAMPLE_FACTORS           	-	6	Sample source:T-cells | Genotype:ankrd55 ko | Treatment:No added cytokines	RAW_FILE_NAME(C8-POS)=B00008_XAV_JinJin_TH17_CP-Th0_KO-3; RAW_FILE_NAME(HILIC-POS)=B0008_XAV_Jinjin_TH17_HP-6; RAW_FILE_NAME(C18-NEG)=B0008_XAV_Jinjin_TH17_CN-6; RAW_FILE_NAME(HILIC-NEG)=B0008_XAV_Jinjin_TH17_HN-6
SUBJECT_SAMPLE_FACTORS           	-	12	Sample source:T-cells | Genotype:ankrd55 ko | Treatment:25ng/mL IL-6 and 2ng/mL TGF-b1	RAW_FILE_NAME(C8-POS)=B00009_XAV_JinJin_TH17_CP-Th17n_KO-3; RAW_FILE_NAME(HILIC-POS)=B0009_XAV_Jinjin_TH17_HP-12; RAW_FILE_NAME(C18-NEG)=B0009_XAV_Jinjin_TH17_CN-12; RAW_FILE_NAME(HILIC-NEG)=B0009_XAV_Jinjin_TH17_HN-12
SUBJECT_SAMPLE_FACTORS           	-	1	Sample source:T-cells | Genotype:WT | Treatment:No added cytokines	RAW_FILE_NAME(C8-POS)=B00010_XAV_JinJin_TH17_CP-Th0_WT-1; RAW_FILE_NAME(HILIC-POS)=B0010_XAV_Jinjin_TH17_HP-1; RAW_FILE_NAME(C18-NEG)=B0010_XAV_Jinjin_TH17_CN-1; RAW_FILE_NAME(HILIC-NEG)=B0010_XAV_Jinjin_TH17_HN-1
SUBJECT_SAMPLE_FACTORS           	-	10	Sample source:T-cells | Genotype:ankrd55 ko | Treatment:25ng/mL IL-6 and 2ng/mL TGF-b1	RAW_FILE_NAME(C8-POS)=B00011_XAV_JinJin_TH17_CP-Th17n_KO-1; RAW_FILE_NAME(HILIC-POS)=B0011_XAV_Jinjin_TH17_HP-10; RAW_FILE_NAME(C18-NEG)=B0011_XAV_Jinjin_TH17_CN-10; RAW_FILE_NAME(HILIC-NEG)=B0011_XAV_Jinjin_TH17_HN-10
SUBJECT_SAMPLE_FACTORS           	-	11	Sample source:T-cells | Genotype:ankrd55 ko | Treatment:25ng/mL IL-6 and 2ng/mL TGF-b1	RAW_FILE_NAME(C8-POS)=B00012_XAV_JinJin_TH17_CP-Th17n_KO-2; RAW_FILE_NAME(HILIC-POS)=B0012_XAV_Jinjin_TH17_HP-11; RAW_FILE_NAME(C18-NEG)=B0012_XAV_Jinjin_TH17_CN-11; RAW_FILE_NAME(HILIC-NEG)=B0012_XAV_Jinjin_TH17_HN-11
SUBJECT_SAMPLE_FACTORS           	-	PREFA02	Sample source:T-cells | Genotype:NA | Treatment:QC-drift_correction	RAW_FILE_NAME(C8-POS)=B0012a_XAV_JinJin_TH17_CP-PREFA02; RAW_FILE_NAME(HILIC-POS)=B0012a_XAV_Jinjin_TH17_HP-PREFA02; RAW_FILE_NAME(C18-NEG)=B0012a_XAV_Jinjin_TH17_CN-PREFA02; RAW_FILE_NAME(HILIC-NEG)=B0012a_XAV_Jinjin_TH17_HN-PREFA02
SUBJECT_SAMPLE_FACTORS           	-	PREFB02	Sample source:T-cells | Genotype:NA | Treatment:QC-pooled_ref	RAW_FILE_NAME(C8-POS)=B0012b_XAV_JinJin_TH17_CP-PREFB02; RAW_FILE_NAME(HILIC-POS)=B0012b_XAV_Jinjin_TH17_HP-PREFB02; RAW_FILE_NAME(C18-NEG)=B0012b_XAV_Jinjin_TH17_CN-PREFB02; RAW_FILE_NAME(HILIC-NEG)=B0012b_XAV_Jinjin_TH17_HN-PREFB02
#COLLECTION
CO:COLLECTION_SUMMARY            	Three biological replicates were generated for each WT and Ankrd55-/- cell
CO:COLLECTION_SUMMARY            	lines. Naïve CD4+ T cells from either wild-type or Ankrd55-/- C57BL/6 animals
CO:COLLECTION_SUMMARY            	were isolated by using EasySep Mouse Naïve CD4+ T Cell isolation Kit (STEMCELL
CO:COLLECTION_SUMMARY            	technologies, Vancouver Canada) and 1 million/mL of cells was cultured in 2
CO:COLLECTION_SUMMARY            	μg/mL anti-CD3/anti-CD28-coated 96-well plates under different cytokine
CO:COLLECTION_SUMMARY            	conditions for 3 days. Cells were harvested on day 3 and pellets were
CO:COLLECTION_SUMMARY            	snap-frozen and preserved at -80C until extraction. A polar extract was prepared
CO:COLLECTION_SUMMARY            	using 1,800,000 cells extracted in 80% methanol, while a lipid extract was
CO:COLLECTION_SUMMARY            	obtained from 600,000 cells using 100% isopropanol. The cleared extracts were
CO:COLLECTION_SUMMARY            	analyzed with a combination of four previously described liquid chromatography
CO:COLLECTION_SUMMARY            	high-resolution mass spectrometry (LC-MS) methods. The polar methanol extract
CO:COLLECTION_SUMMARY            	was analyzed using the HILIC-pos (10 μL), HILIC-neg (30 μL), and C18-neg (30
CO:COLLECTION_SUMMARY            	μL) methods, which target polar metabolites and those of intermediate polarity.
CO:COLLECTION_SUMMARY            	In contrast, the isopropanol extract was profiled using the C8-pos lipid
CO:COLLECTION_SUMMARY            	profiling method.
CO:SAMPLE_TYPE                   	T-cells
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Cells were treated with different cytokine conditions for three days: Th0: no
TR:TREATMENT_SUMMARY             	added cytokines. Th17n: 25ng/mL IL-6 and 2ng/mL TGF-b1.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	LC–MS samples were profiled in each LC-MS method as follows: - HILIC-pos:
SP:SAMPLEPREP_SUMMARY            	Extracts (10 μL) were extracted with the addition of nine volumes of
SP:SAMPLEPREP_SUMMARY            	74.9:24.9:0.2 v/v/v acetonitrile/methanol/formic acid containing stable
SP:SAMPLEPREP_SUMMARY            	isotope-labeled internal standards (valine-d8, Isotec; and phenylalanine-d8,
SP:SAMPLEPREP_SUMMARY            	Cambridge Isotope Laboratories). The samples were centrifuged (10 min, 9,000g,
SP:SAMPLEPREP_SUMMARY            	4°C), and the supernatants (10 μL) injected directly onto column. - C8-pos:
SP:SAMPLEPREP_SUMMARY            	Extracts (10 μL) using 190 μL isopropanol containing
SP:SAMPLEPREP_SUMMARY            	1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine as an internal standard
SP:SAMPLEPREP_SUMMARY            	(Avanti Polar Lipids; Alabaster, AL). After centrifugation (10 min, 9,000g,
SP:SAMPLEPREP_SUMMARY            	ambient temperature), supernatants (2 μL) were injected directly onto column. -
SP:SAMPLEPREP_SUMMARY            	C18-neg: Extracts (30 μL) were extracted using 90 μl methanol containing
SP:SAMPLEPREP_SUMMARY            	15R-15-methyl Prostaglandin A2,15R-15-methyl Prostaglandin F2α, 15S-15-methyl
SP:SAMPLEPREP_SUMMARY            	Prostaglandin D2, 15S-15-methyl Prostaglandin E1, and 15S-15-methyl
SP:SAMPLEPREP_SUMMARY            	Prostaglandin E2 as internal standards (Cayman Chemical Co.) and centrifuged (10
SP:SAMPLEPREP_SUMMARY            	min, 9,000g, 4°C). The supernatants (10 μL) were injected onto column. -
SP:SAMPLEPREP_SUMMARY            	HILIC-neg: Extracts (30 μL) were extracted with the addition of four volumes of
SP:SAMPLEPREP_SUMMARY            	80% methanol containing inosine-15N4, thymine-d4 and glycocholate-d4 internal
SP:SAMPLEPREP_SUMMARY            	standards (Cambridge Isotope Laboratories). The samples were centrifuged (10
SP:SAMPLEPREP_SUMMARY            	min, 9,000g, 4°C) and the supernatants 10 μL) were injected directly onto
SP:SAMPLEPREP_SUMMARY            	column.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Shimadzu Nexera X2
CH:COLUMN_NAME                   	Waters Acquity BEH C8 (100 x 2.1 mm, 1.7 µm)
CH:SOLVENT_A                     	95% Water/5% Methanol; 10 mM Ammonium acetate; 0.1% Acetic acid
CH:SOLVENT_B                     	100% Methanol; 0.1% Acetic acid
CH:FLOW_GRADIENT                 	The column was initially eluted isocratically at 450 μL/min with 80% mobile
CH:FLOW_GRADIENT                 	phase A for 1 minute. A linear gradient was then applied to reach 80% mobile
CH:FLOW_GRADIENT                 	phase B over 2 minutes, followed by a further gradient to 100% mobile phase B
CH:FLOW_GRADIENT                 	over 7 minutes. The system was held at 100% mobile phase B for 3 minutes before
CH:FLOW_GRADIENT                 	re-equilibrating at 80% mobile phase A for 9 minutes. Data acquisition ended at
CH:FLOW_GRADIENT                 	15 minutes.
CH:FLOW_RATE                     	450 µL/min
CH:COLUMN_TEMPERATURE            	40°C
CH:INTERNAL_STANDARD             	12:0-12:0 PC (Avanti 850335C)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	IDX
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Raw data were processed using TraceFinder 3.3 software (Thermo Fisher
MS:MS_COMMENTS                   	Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle upon
MS:MS_COMMENTS                   	Tyne, UK). Metabolite identities were confirmed using authentic reference
MS:MS_COMMENTS                   	standards or reference samples.
MS:MS_RESULTS_FILE               	ST004093_AN006784_Results.txt	UNITS:Abudances	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Abudances
MS_METABOLITE_DATA_START
Samples	PREFA01	PREFB01	7	2	3	5	9	8	4	6	12	1	10	11	PREFA02	PREFB02
Factors	Sample source:T-cells | Genotype:NA | Treatment:QC-drift_correction	Sample source:T-cells | Genotype:NA | Treatment:QC-pooled_ref	Sample source:T-cells | Genotype:WT | Treatment:25ng/mL IL-6 and 2ng/mL TGF-b1	Sample source:T-cells | Genotype:WT | Treatment:No added cytokines	Sample source:T-cells | Genotype:WT | Treatment:No added cytokines	Sample source:T-cells | Genotype:ankrd55 ko | Treatment:No added cytokines	Sample source:T-cells | Genotype:WT | Treatment:25ng/mL IL-6 and 2ng/mL TGF-b1	Sample source:T-cells | Genotype:WT | Treatment:25ng/mL IL-6 and 2ng/mL TGF-b1	Sample source:T-cells | Genotype:ankrd55 ko | Treatment:No added cytokines	Sample source:T-cells | Genotype:ankrd55 ko | Treatment:No added cytokines	Sample source:T-cells | Genotype:ankrd55 ko | Treatment:25ng/mL IL-6 and 2ng/mL TGF-b1	Sample source:T-cells | Genotype:WT | Treatment:No added cytokines	Sample source:T-cells | Genotype:ankrd55 ko | Treatment:25ng/mL IL-6 and 2ng/mL TGF-b1	Sample source:T-cells | Genotype:ankrd55 ko | Treatment:25ng/mL IL-6 and 2ng/mL TGF-b1	Sample source:T-cells | Genotype:NA | Treatment:QC-drift_correction	Sample source:T-cells | Genotype:NA | Treatment:QC-pooled_ref
PC 12:0/12:0 [iSTD]	96844813	96561705	101802871	103964290	102071375	100342120	102104982	94068620	100719341	102589458	105649999	103131925	101899585	103348665	96844813	96516458
LPC 14:0	26242	24597	14505	31072	30416	40918	21137	15050	48466	39385	25281	25257	24392	19379	26242	26159
LPC 16:1	27406	25566	21934	23874	21660	28501	30929	26556	35391	31181	36979	22886	39734	31690	27406	27309
LPC 16:0	716482	712942	413047	890217	892970	1180647	484036	429235	1293932	1015732	693516	603631	575622	542128	716482	730571
LPC 18:1	172476	178126	128111	194476	174819	220006	156590	136471	266475	218830	197866	158029	183150	161909	172476	167904
LPC 18:0	737336	731587	341283	1030320	1037527	1378174	344824	344428	1552420	1055289	563425	594494	397667	443514	737336	717848
LPC 20:4	3893	4237	3069	4388	3563	5052	1830	2429	7131	5057	4742	4441	4607	4273	3893	3114
LPC 20:1	12065	11550	7950	13382	12413	17391	10936	9754	21300	16181	13222	9958	10385	10425	12065	12754
LPC 20:0	20765	19032	7453	28683	27593	38983	8392	8016	47366	30542	11716	17126	8876	9928	20765	22283
LPC 22:6	3322	3558	2257	4212	3625	4202	1757	2966	7174	5761	4988	3224	4857	3765	3322	3554
LPC 22:5	7322	6775	7767	8472	6374	8489	5798	6578	12675	10437	9789	7255	9683	9030	7322	7769
LPC 24:0	39050	38290	12722	60955	62971	87895	13903	15286	102475	56919	18187	30612	11329	13782	39050	38514
LPC P-16:0 or LPC O-16:1	17429	15281	11858	20278	18923	25589	15935	13123	32132	22826	20507	14516	17373	17301	17429	17045
LPC P-18:0 or LPC O-18:1	14027	14639	6052	20650	17245	27326	6289	6611	31544	22562	9321	14393	6517	8358	14027	13632
LPE 16:0	10130	9839	5542	11113	11287	16209	6707	5674	18139	12865	9511	8702	9439	7793	10130	9467
LPE 18:1	5978	5333	3493	5424	5585	6960	6039	5159	8433	5792	7270	4820	8013	6765	5978	5439
LPE 18:0	34734	35016	12113	46389	46102	66999	15330	13929	73423	49797	20471	32616	18273	17205	34734	35459
LPE 20:0	3934838	3878725	4250106	4276071	4072848	4123775	4235595	4214829	4163251	4274891	4269038	4152876	4161011	4159328	3934838	3889515
LPE 22:0	10395	9650	8793	12000	10863	13495	8242	9277	15601	12426	11618	9481	8246	9218	10395	9229
PC 30:1	7327042	7310670	4522160	8644771	7745265	10477420	5037177	5289672	12970759	9389826	7292240	8430405	7534589	6996112	7327042	7248771
PC 30:0	40882586	40805068	25900595	49492495	44319108	56462721	28429421	30259149	67744738	50451849	43556808	42741893	37539507	39216668	40882586	40696936
PC 32:2	4214431	4109840	3355928	4025205	3750175	5014392	3603073	3836205	6156900	4965113	5257722	4340998	5193694	4802888	4214431	4143796
PC 32:1	76825023	77039030	48876002	90993377	84521866	114792705	50594263	52866509	131468176	102154119	71912610	79163820	62529478	64703001	76825023	76046893
PC 32:0	52455343	51752609	34755644	60370717	57097711	73037439	35068612	38489928	85535465	65841194	59758473	52247588	48010113	49346173	52455343	52446199
PC 34:4	499770	489857	214066	667854	575067	810973	220578	238729	1050922	823790	386794	656972	353847	307372	499770	491717
PC 34:3	1909089	1874958	1393568	1993895	1803386	2503737	1404691	1481431	3072654	2472891	2213074	2030103	1964087	1846081	1909089	1873286
PC 34:2	329466213	327465757	231012090	366101472	326763522	461263154	239598408	252316203	547873563	430074684	334395307	323894113	275840424	298682966	329466213	330620064
PC 34:2;O	4286	4482	2631	6572	6005	8206	1890	2042	9580	5863	3195	5681	3690	3072	4286	4209
PC 34:1	152416680	151905743	78803920	195363224	184790027	254997591	78359087	84129805	283447948	211730691	109982564	150824668	84986867	94010098	152416680	150432531
PC 34:0	9334876	9274703	4014917	13960071	12980635	16589050	3865794	4313283	19224529	12954558	5976625	9168340	4825509	4905005	9334876	9324256
PC 36:4	9146896	9057366	4498216	11904149	10097512	14286751	4246494	4686335	17982587	14964010	7512524	11276892	5789858	5746548	9146896	9152777
PC 36:4;O	26837	27783	12526	34529	30121	46395	12296	16064	58586	43426	28042	28584	20067	19118	26837	25395
PC 36:3	105074201	103687629	65337640	120892449	104557342	150124206	62646804	69513706	195617288	153590526	108288949	119945063	82346206	81159213	105074201	105336598
PC 36:2	59527350	59424042	35368040	75005174	68089561	95775868	36307382	38066850	111186194	81442879	45230553	57931051	35138729	40946291	59527350	57782896
PC 36:1	49572920	50085668	18821563	73046824	69561734	101992773	18733794	19793523	111191680	73431781	23261982	46051705	17148104	20548450	49572920	49105922
PC 36:0	4356794	4373856	1291763	7056811	6678174	9426959	1269391	1451920	10754343	6785096	1884076	4067874	1508947	1590161	4356794	4417932
PC 38:6	7475221	7424937	3788785	9840430	8110109	11456309	3392114	3760318	14371894	12088717	6403383	9110855	4966719	4794057	7475221	7494964
PC 38:4	5818905	5782187	2592463	8135347	6773141	9567363	2447590	2718301	12117681	9732601	4148313	7022239	3046025	3122336	5818905	5723307
PC 38:3	5409155	5344779	2704516	7494353	6431695	8930729	2583148	2817472	11312908	8333428	4073124	5775494	2972335	3062703	5409155	5434943
PC 38:2	4859142	4921814	2864092	6345813	5767134	8428872	3091044	3295782	9461861	6581183	3537260	4424984	2628467	3268473	4859142	4849448
PC 40:10	19885	20303	10869	26930	18559	32686	8179	10588	45383	35491	23911	25722	17508	13983	19885	21970
PC 40:9	2588836	2516128	1108955	3678269	2793846	4059029	1058755	1166769	5159862	4334988	1934528	3206321	1553123	1464632	2588836	2621412
PC 40:6	6462630	6466227	3033833	9103079	7531681	10411236	2668556	2985394	13510752	10509105	4979477	7818466	3793426	3604118	6462630	6392952
PC P-34:4 or PC O-34:5	42339	42197	28910	44437	38408	57757	28993	34701	63115	58239	57427	35461	35034	44061	42339	44351
PC P-34:3 or PC O-34:4	1389184	1411685	1258614	1189525	1059477	1458120	1378243	1493845	1731472	1477125	1932136	1216354	1600663	2054838	1389184	1288451
PC P-34:2 or PC O-34:3	310843	286585	351177	160929	134103	204021	437900	455056	207715	225486	600099	157295	504201	565841	310843	313234
PC P-34:1 or PC O-34:2	1541134	1544647	1371803	1440442	1297222	1889262	1639179	1687059	2205442	1815102	1815550	1135767	1537211	1889279	1541134	1547174
PC P-34:0 or PC O-34:1	28630777	28416742	15683153	36110194	34013051	46295182	18984299	19146327	53346447	38592616	21469517	27640383	17399031	21755968	28630777	28471208
PC P-36:4 or PC O-36:5	723075	719750	546504	743623	629141	768439	641179	682128	987606	855503	909605	762506	734069	751525	723075	717075
PC P-36:3 or PC O-36:4	32746229	32560711	19436623	38346802	32475976	46633188	22084439	23468324	56456390	47180782	30734870	35261409	23160195	25738748	32746229	32274779
PC P-36:2 or PC O-36:3	22583367	22440969	12318800	28545387	23261425	36913402	14656757	15010011	44880881	37962044	18362298	24295411	13434644	17239675	22583367	23457953
PC P-36:1 or PC O-36:2	4039212	4035001	2017698	5223908	4818595	7182028	2432651	2406264	7906302	5977327	2630064	4044369	1949382	2697592	4039212	4046538
PC P-36:0 or PC O-36:1	5540430	5537629	1740813	8347939	8019650	11721447	2174409	2188471	12286900	8351304	2124286	5082066	1623539	2368087	5540430	5550635
PC P-38:6 or PC O-38:7	284915	292801	197790	317704	238301	344812	226952	238045	465994	410771	356193	354521	318685	304681	284915	285587
PC P-38:5 or PC O-38:6	3144126	3139727	1793536	3724281	3142703	4504732	2048852	2175412	5763323	4653567	3158745	3504554	2464388	2708078	3144126	3192878
PC P-38:3 or PC O-38:4	1724011	1754242	601886	2499714	2143388	3212339	697885	745841	3822032	2968456	913899	1942368	683676	802409	1724011	1716315
PC P-40:6 or PC O-40:7	160559	162596	87752	201777	148119	234629	94545	107955	310882	254412	156913	188326	133875	132684	160559	170933
PE 32:1	401808	413000	285081	407147	369424	489415	324591	331879	591846	455922	448069	383863	427273	433719	401808	401265
PE 32:0	704542	681944	366224	889586	769870	1063526	384210	405618	1371932	991632	697092	832087	589567	582445	704542	692181
PE 34:2	566228	580304	486794	490295	439513	586580	538480	540962	708967	532498	755340	446654	713025	731703	566228	559127
PE 34:0	2686046	2662293	1678820	3235316	2763042	3727442	1711070	1831896	4559166	3549004	2973558	2981154	2393360	2391139	2686046	2691112
PE 36:4	949661	941380	610704	988923	897518	1189015	644334	675962	1415696	1136418	1017498	1002159	869411	866634	949661	947156
PE 36:3	337790	313085	256258	312872	277434	345627	256303	277469	452031	362646	460269	334111	402904	395749	337790	331401
PE 36:2	1373791	1363008	927667	1524961	1325881	1835249	1006678	1034195	2291608	1634349	1354116	1266738	1191874	1271067	1373791	1335261
PE 36:1	1799939	1842027	792446	2414327	2270348	3467866	825246	840186	3804415	2711675	1065789	1663215	814007	941549	1799939	1763872
PE 36:0	1464717	1444045	775186	1914095	1716465	2319559	756437	823888	2714013	2022125	1283886	1595745	994981	991180	1464717	1417475
PE 38:6	1127706	1089784	812728	1072205	931619	1224398	787190	848300	1546372	1276274	1360588	1026041	1211236	1175185	1127706	1133866
PE 38:5	128514	132505	89630	141994	127816	153652	89621	82642	175816	160580	162890	145260	176592	128286	128514	123444
PE 38:4	3161417	3057325	2058462	3488533	3091986	4215982	2066705	2203715	4945152	3904723	3242410	3210351	2638334	2712699	3161417	3085827
PE 38:2	3169458	3157359	1835053	3952291	3493653	5028243	1907255	2005806	5959050	4658482	2719327	3413195	2137644	2326765	3169458	3152860
PE 40:6	2133912	2104612	1225661	2563752	2207585	2986640	1279778	1309802	3757390	2870359	1959785	2207935	1605906	1683062	2133912	2101590
PE P-34:2 or PE O-34:3	130273	134404	119953	111429	94809	105323	141488	146367	127368	98913	210906	71577	151153	168257	130273	124379
PE P-34:1 or PE O-34:2	990149	989033	789530	1004181	949836	1256191	862838	862121	1476717	1076816	1152590	743939	889171	1032225	990149	1000186
PE P-36:4 or PE O-36:5	2363019	2337362	1784735	2355242	2159719	2866801	1960696	2017512	3536157	2646317	2978990	2033430	2013516	2258157	2363019	2326275
PE P-36:3 or PE O-36:4	299640	289836	218825	310427	267139	386229	257041	257186	466983	328024	356422	232936	244566	296902	299640	294681
PE P-36:2 or PE O-36:3	188337	192125	168872	164517	153430	231151	181859	191993	274645	208644	271018	142994	185833	233249	188337	201155
PE P-36:1 or PE O-36:2	374265	367955	203502	455611	440375	644788	224775	230755	700102	491377	277625	303572	198978	268341	374265	383294
PE P-36:0 or PE O-36:1	68287	67656	51406	71024	57776	74139	66382	72576	98220	87478	101903	53761	77071	89968	68287	70300
PE P-38:6 or PE O-38:7	2243810	2222864	1624536	2286873	2086649	2912223	1744390	1784632	3535442	2703364	2666020	2095556	1931671	2119506	2243810	2249677
PE P-38:5 or PE O-38:6	2168237	2145507	1701395	2158625	1930833	2627478	1774690	1844553	3218141	2488150	2798981	1943287	2077457	2178461	2168237	2167560
PE P-38:4 or PE O-38:5	904390	933410	439298	1166866	1079039	1640961	478717	483633	1838107	1364062	671867	867207	449247	527196	904390	905447
PE P-40:6 or PE O-40:7	893790	905901	447351	1158483	1066419	1550202	423860	462743	1793894	1315958	634585	846453	468105	517714	893790	872203
PI 32:1	187220	149744	147487	150710	142925	136106	112292	111782	173678	172600	198307	169821	203103	189318	187220	162391
PI 34:1	25649	28600	11012	32004	38507	52989	10155	9192	44766	50030	19254	26924	10351	13902	25649	22646
PI 34:0	1621281	1709680	1041496	1994600	1739791	2273810	1263894	1176783	2672177	2339167	2136770	1754716	1575056	1721951	1621281	1636080
PI 36:4	28960	28152	12520	35941	31296	46540	12928	11223	52606	61704	29975	35241	21328	19480	28960	30903
PI 36:2	46331	38808	26986	62333	64421	68960	32775	26570	79625	63456	37551	52910	24310	38138	46331	51471
PI 38:4	230873	220513	107972	296080	276341	390465	134122	111354	410546	369870	175723	261300	121950	151107	230873	225458
PS 32:1	275787	257513	457050				584751	694484			585833		837073	741868	275787	297026
PS 32:0	853748	832397	1562726	98170	102245	80786	1580049	1843782	350834	154692	1797287	256981	1995514	1930115	853748	868811
PS 34:1	3041530	3081060	2405826	3317771	3197407	4282885	3141601	2813660	4713220	4076042	3855187	2961732	2926783	3691471	3041530	3188834
PS 36:2	1579587	1521612	1151186	1628421	1530695	1959448	1420710	1320912	2085265	1790597	1813619	1524658	1440532	1676621	1579587	1433599
PS 36:1	7407479	7697368	5709101	9039525	9056447	11650880	7340433	6229459	11911266	10080770	8459557	6608727	5705298	6411376	7407479	7368549
PS 40:6	515016	480840	355146	526421	494600	555038	373486	355635	631798	561795	582223	508031	477146	540780	515016	498064
Sphingosine	1552909	1917241	1095091	1583996	1944829	2036911	1553121	1464259	2096011	2088714	1664366	991583	1512972	1799557	1552909	1516944
Palmitoyl-EA	3148508	3189885	3070125	3078595	2828634	2959748	3117686	3126585	2877221	3134223	2667030	2879165	2921311	2660421	3148508	3084758
Cholesterol	153644	155971	81817	161948	163595	267924	100474	112336	335251	227446	170396	128793	113682	137935	153644	162684
Lanosterol	3720	3492	404	4598	4543	7977	494	677	10377	7162	1314	3688	709	985	3720	3306
Coenzyme Q9	143593	146681	57687	219420	196977	244826	72057	74640	269927	163850	73804	137667	76717	81596	143593	139609
Coenzyme Q10	40318	39543	10866	58225	53306	84570	9014	10999	90128	69080	16515	37885	10110	12292	40318	41347
Cer 18:1;O2/16:0	704523	735955	259524	888713	840285	1320773	287067	283392	1442514	1153676	461852	679716	338928	378313	704523	708919
Cer 18:1;O2/22:0	271602	261208	35084	401337	358503	608203	42758	41760	698093	525805	64882	269116	47953	55000	271602	271861
Cer 18:1;O2/24:1	484928	476400	188651	588568	509737	852465	220188	230913	979118	829065	342541	473245	245696	292884	484928	482795
Cer 18:1;O2/24:0	1584687	1573954	267194	2350624	2155202	3577213	260185	275084	3865917	2894629	430894	1436070	293530	346857	1584687	1548109
SM 18:1;O2/14:0	155250	151492	73203	198974	181700	230934	87579	91640	309351	205188	135539	161547	121965	124746	155250	157569
SM 18:1;O2/16:1	316920	323104	171314	402567	363058	487032	197840	211213	632495	424490	288449	330570	239109	260828	316920	311183
SM 18:1;O2/16:0	5587898	5658511	2272467	7717967	7141270	9065329	2587625	2696230	11505636	7782675	4050198	6013480	3662895	3426740	5587898	5547699
SM 18:1;O2/18:1	38613	39748	18702	42608	44398	62468	22689	21621	78773	47565	27163	35965	21601	28832	38613	34721
SM 18:1;O2/18:0	211381	207753	58305	317944	293299	402279	73888	72202	479624	328720	97010	211635	82001	102722	211381	204465
SM 18:1;O2/20:0	49519	51970	13128	70727	63071	91987	13445	14016	119734	85640	19111	44526	14972	20800	49519	45345
SM 18:1;O2/22:1	32353	37685	11741	45648	45838	53046	14003	18643	67240	47753	21745	41397	24477	22128	32353	30101
SM 18:1;O2/22:0	316529	308263	76325	508238	455278	597963	82459	82838	746621	490875	116286	342175	105410	116464	316529	309412
SM 18:1;O2/24:1	1450922	1439794	517918	2168341	1843061	2465257	589415	620896	3203929	2151130	932480	1599018	783873	794292	1450922	1452905
SM 18:1;O2/24:0	1269936	1281241	190508	2242981	2023393	2632943	209336	226807	3310785	1894483	290898	1265834	263008	254207	1269936	1234249
CE 14:0	16135	19048	8320	16063	17840	29007	7519	7582	33758	30613	13640	11614	4612	6404	16135	13149
CE 16:1	72803	78457	55998	79394	77761	99696	48164	50930	108471	99980	88466	70641	59099	69014	72803	72910
CE 16:0	76780	82488	45319	84216	82016	116031	40926	42742	138713	125949	78409	71956	49510	63999	76780	80271
CE 18:3	7122	7038	3238	7435	6174	9828	2956	2771	12312	10327	10249	6581	7045	8117	7122	8136
CE 18:2	100211	106006	73717	107733	108855	139058	57081	68643	151231	148802	119420	101370	83702	106228	100211	102455
CE 18:1	210673	216079	150969	214147	211220	282549	135757	142802	312502	310655	259715	203569	168139	210945	210673	220387
CE 18:0	17682	18460	4847	21853	21239	32764	5155	4881	43168	34836	13485	16013	6167	8315	17682	19645
CE 20:5	8349	7063	4174	9327	7279	14096	3392	4425	15596	13276	11516	8159	7191	10015	8349	9696
CE 20:4	123659	125138	97512	131572	133242	169120	79675	83916	182605	178812	152130	118808	99884	131525	123659	122031
CE 20:3	7522	8592	5886	9906	8668	13887	4017	6434	13822	15617	13090	10407	7704	11694	7522	8874
CE 22:6	22287	21488	16048	22720	22759	31441	11458	14345	38205	33583	31227	22639	20094	24211	22287	24617
MG 14:1	22105	21576	21906	21776	21728	21723	21156	21214	21607	21055	21656	21275	21620	21630	22105	21480
MG 16:1	22425	21515	21809	20581	21366	21308	20968	20497	22103	22257	21362	22160	22403	21331	22425	22665
MG 18:0	221584	210460	294684	202578	194163	171644	189599	201030	237161	186042	205105	201756	166728	381031	221584	220267
MG 20:4	5216	4967	271	8365	6279	12870	308	234	15348	15024	453	9601	403	371	5216	5616
DG 30:0	1189168	1201852	528469	1433847	1427454	1557329	574889	605315	1602235	1497831	751897	1224857	721529	740507	1189168	1192704
DG 32:2	62442	63192	48267	52575	50034	59470	71502	64630	68578	61495	70478	63403	100665	72231	62442	66457
DG 32:1	1301841	1311997	824555	1427599	1314330	1495762	937692	954532	1555639	1423328	1131946	1368653	1216931	1153962	1301841	1283243
DG 32:0	3384371	3326360	1488259	4041466	4122454	4584433	1368117	1467584	4661159	4412290	1995971	3336960	1668599	1695707	3384371	3419097
DG 34:3	15577	12849	9142	12278	11058	14420	16807	14211	14802	15318	14672	16217	21126	13648	15577	14947
DG 34:2	645254	658939	427898	689346	645479	790424	543789	529679	895341	752099	599225	654575	646435	601769	645254	657331
DG 34:1	3226148	3324353	1730292	4020646	3741280	4599723	1795444	1860365	5041665	4163099	2198182	3346188	1983374	2106399	3226148	3257355
DG 34:0	2273566	2305684	583276	3184086	3255420	3674629	479103	538862	3838643	3047884	612263	2312737	559649	593376	2273566	2263526
DG 36:4	1934248	2044537	858150	2372823	2128143	2860883	930843	998725	3248004	2905317	1828772	2167029	1371033	1359495	1934248	1951551
DG 36:3	180794	179123	111374	201691	174412	206179	133322	131656	243055	232136	159164	212103	164054	142637	180794	185915
DG 36:2	1195213	1180639	684240	1445459	1311996	1644499	792874	782998	1817013	1455969	920035	1219153	840153	929502	1195213	1205321
DG 36:1	1676472	1665244	621494	2290520	2220312	2791002	630481	686927	2960519	2225834	765487	1639038	683221	775232	1676472	1676299
DG 36:0	385586	380326	260452	458492	472039	556717	193195	219308	609193	456810	225254	387472	212796	331743	385586	389176
DG 38:5	113346	117479	53789	141050	133148	164085	58152	54474	181287	173044	78325	140659	70548	65500	113346	114952
DG 38:4	872257	893271	291224	1111848	1037441	1508492	326353	326829	1565601	1459511	734970	957992	397061	524992	872257	893883
TG 42:0	214031	227384	217520	225130	183379	218459	203234	188788	262470	201609	232819	162750	186463	198179	214031	197110
TG 43:0	7724	7196	16388	7055	5648	8039	6875	5223	6630	6481	9391	7585	6480	8527	7724	8866
TG 44:1	23924	27205	20656	23773	21192	29587	26823	29340	31106	22625	28942	20129	27161	28428	23924	26675
TG 44:0	120739	126429	108452	140308	130492	177003	98188	101156	194455	148590	100756	99787	84796	94872	120739	120993
TG 45:2	334013	359461	103609	569984	465039	710932	97597	135254	914272	581464	172676	410372	177618	167580	334013	356106
TG 45:1	14295	14556	14384	17437	14639	18386	12138	14147	15386	12621	15517	12088	13547	13695	14295	14452
TG 45:0	46000	47042	70269	48917	43762	50996	40019	38281	47609	43186	47869	40473	40004	39284	46000	46733
TG 46:2	26993	25263	23829	20829	20232	26155	32306	32722	24777	19170	34281	18989	36070	33630	26993	30824
TG 46:1	210394	210694	162411	198160	189759	255824	216330	223289	292122	218272	219115	164634	198185	220983	210394	215141
TG 46:0	554564	563669	369564	703127	668918	911845	367146	379881	996972	757474	401405	459376	301539	359012	554564	573226
TG 47:2	17206	18347	14332	17284	15917	17203	15288	14786	13894	11829	17950	12083	15704	13070	17206	15472
TG 47:1	57790	60598	51512	62917	59020	71777	51886	51326	70539	55628	64496	46766	50300	52630	57790	57632
TG 47:0	90607	98086	107482	106909	96766	122806	74417	72426	124172	103942	85953	84021	69138	68706	90607	93052
TG 48:3	3132	3058	3351	1370	1011	1435	3983	3311	3303	899	4539	1450	6762	6297	3132	3208
TG 48:2	189230	181371	163180	159809	144800	198530	208122	213741	218161	161523	205926	143065	205597	217344	189230	186731
TG 48:1	807908	852510	619879	865813	820540	1159025	740844	753934	1237293	950069	732938	622776	600295	692268	807908	786379
TG 48:0	1229651	1330905	638163	1680274	1688756	2310455	617693	645120	2405438	1815846	687630	1058707	514034	578374	1229651	1241487
TG 49:2	40190	40660	35387	45593	37590	45510	41796	38966	45173	32924	42905	32078	37737	38502	40190	40254
TG 49:1	91961	96924	73895	112985	104291	127404	78556	76737	139368	110792	90020	80913	71597	76382	91961	93189
TG 49:0	77203	80100	58494	104327	97030	124001	42441	41821	133183	103836	54068	72021	43938	41783	77203	78318
TG 50:4	5696	5562	1950	4659	5137	8577	6813	5074	10928	7707	4934	2508	4734	6792	5696	5361
TG 50:3	124312	116193	91041	104068	90180	129414	116915	117470	154815	118978	124321	91203	119816	132035	124312	124016
TG 50:2	626714	651303	520748	613522	579173	765840	640265	678096	856238	656134	628283	473733	548835	648907	626714	619186
TG 50:1	1456336	1531684	948242	1733398	1665411	2289957	1085999	1129296	2528427	1870019	1107196	1202698	838227	1007350	1456336	1448869
TG 50:0	1085284	1115565	331082	1650703	1605758	2215666	322136	338888	2305362	1605057	342917	921235	262625	287378	1085284	1081686
TG 51:2	51737	55272	43049	58556	47503	64908	47444	46016	78593	53428	53045	39748	40210	46284	51737	51038
TG 51:1	79257	80571	43130	102794	88384	128583	44837	45967	157033	106381	49969	72031	40183	45933	79257	79545
TG 51:0	55531	53601	23646	81622	74228	108120	18414	14635	119284	79036	22539	46219	16722	16638	55531	56025
TG 52:6	10090	8701	5070	5671	6182	11258	10163	9935	17689	13803	10586	6706	5148	9366	10090	9724
TG 52:5	23509	19246	12864	15399	10919	19095	15843	14030	26795	18965	23286	15369	16661	21289	23509	25360
TG 52:4	87790	76241	68450	66969	58851	73296	77797	74004	82613	69810	97795	71749	88090	99157	87790	93782
TG 52:3	374132	351766	290711	330850	293400	367114	351611	366395	439385	344074	375876	276741	325522	390040	374132	374875
TG 52:2	1014886	1015562	741215	1128446	1017896	1330793	870531	932440	1479714	1087942	855111	761399	676419	826605	1014886	995938
TG 52:1	960257	971656	444208	1372014	1269483	1733226	493288	510613	1852385	1294785	467220	815968	375631	448136	960257	983729
TG 52:0	454541	475916	124540	729676	718984	957392	121620	115558	1039332	648037	116234	377299	92452	99804	454541	452186
TG 53:3	10097	9332	4934	8263	5976	8412	9726	8345	14498	8048	10707	8047	5483	7178	10097	7858
TG 53:2	32536	36652	20889	40590	33737	51769	25937	28702	58328	38854	26114	25841	18754	26430	32536	36093
TG 54:7	11841	10243	11229	8152	6940	10455	14202	14733	18282	11431	16676	6768	12718	16657	11841	11918
TG 54:6	64475	63494	51902	57624	53085	83891	59649	66315	103214	84317	67101	48372	45677	54410	64475	64683
TG 54:5	196607	188237	157935	168509	155616	218600	184619	190986	269337	224531	235732	149572	154593	187469	196607	199963
TG 54:4	232130	237970	200868	215333	189813	258052	230017	239099	302803	242639	303740	181764	203573	238297	232130	242585
TG 54:3	453311	452410	364591	495716	426021	548010	412710	444608	615880	461576	455346	365129	349532	409613	453311	429931
TG 54:2	392623	393619	250546	510697	471208	631900	294646	298430	671991	453437	261980	308790	212214	257845	392623	404377
TG 54:1	267169	263542	113768	405417	371465	529747	121001	130762	572413	346398	115718	226086	91783	109329	267169	278099
TG 56:7	54772	50156	42981	49045	38258	59059	50638	56388	80043	60921	57323	43001	37956	51977	54772	58865
TG 56:6	53020	56816	39001	58674	53258	80477	42872	49863	103507	74573	43502	43465	24648	36377	53020	51770
TG 56:5	121097	119782	97998	128838	102588	154248	115995	119401	201036	141037	123938	89127	88525	107027	121097	125572
TG 56:4	87352	89314	72665	92849	73935	108434	83808	87452	134951	93762	95856	68531	70236	83054	87352	92444
TG 56:3	59422	59776	39543	81870	66268	96747	43755	50878	111444	71112	45764	45780	26910	36749	59422	56825
TG 56:2	52313	51176	37792	66835	55888	82478	43830	50989	95947	51860	40669	38198	27896	41380	52313	48875
TG 56:1	65386	65123	50568	87968	77423	113013	44293	55132	122454	73283	54992	44292	34451	48685	65386	68584
TG 58:7	14207	13515	7251	16261	12774	20932	10466	14150	30160	16417	10795	11047	9587	10629	14207	14045
TG 58:6	7390	6318	2021	12125	9389	15042	949	2694	20607	12396	2432	6863		1498	7390	8311
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Study_Compound_ID	MZ	RT	HMDB_ID
PC 12:0/12:0 [iSTD]	TF01	622.44460000000004	6.65	Internal standard
LPC 14:0	QI02923	468.3091	4.41	HMDB0010379
LPC 16:1	QI03204	494.32479999999998	4.58	HMDB0010383
LPC 16:0	QI03613	496.34030000000001	4.93	HMDB0010382
LPC 18:1	QI03791	522.35609999999997	5.1100000000000003	HMDB0002815
LPC 18:0	QI04001	524.37159999999994	5.52	HMDB0010384
LPC 20:4	QI03465	544.34090000000003	4.79	HMDB0010395
LPC 20:1	QI04054	550.38729999999998	5.67	HMDB0010391
LPC 20:0	QI04293	552.40329999999994	6.17	HMDB0010390
LPC 22:6	QI03409	568.34040000000005	4.76	HMDB0010404
LPC 22:5	QI03609	570.35649999999998	4.92	HMDB0010402
LPC 24:0	QI04666	608.46569999999997	7.48	HMDB0010405
LPC P-16:0 or LPC O-16:1	QI03869	480.346	5.25	NA
LPC P-18:0 or LPC O-18:1	QI04158	508.37630000000001	5.84	NA
LPE 16:0	QI03631	454.29289999999997	4.95	HMDB0011503
LPE 18:1	QI03800	480.30889999999999	5.12	HMDB0011506
LPE 18:0	QI04011	482.3245	5.54	HMDB0011130
LPE 20:0	QI03843	510.35610000000003	5.22	HMDB0011481
LPE 22:0	QI04159	538.3877	5.84	HMDB0011520
PC 30:1	QI04813	704.52329999999995	7.95	HMDB0007870
PC 30:0	QI04945	706.53880000000004	8.2899999999999991	HMDB0007869
PC 32:2	QI04864	730.53859999999997	8.11	HMDB0007874
PC 32:1	QI05055	732.55449999999996	8.4499999999999993	HMDB0007873
PC 32:0	QI05302	734.5702	8.76	HMDB0007871
PC 34:4	QI04880	754.53899999999999	8.14	HMDB0007883
PC 34:3	QI04939	756.5539	8.2799999999999994	HMDB0008006
PC 34:2	TF02	758.57010000000002	8.6	HMDB0007973
PC 34:2;O	QI04652	774.56420000000003	7.4	NA
PC 34:1	QI05456	760.58579999999995	8.91	HMDB0007972
PC 34:0	QI05708	762.60140000000001	9.19	HMDB0007970
PC 36:4	QI05210	782.56979999999999	8.6300000000000008	HMDB0008138
PC 36:4;O	QI04685	798.56449999999995	7.53	NA
PC 36:3	TF03	784.58579999999995	8.76	HMDB0008105
PC 36:2	QI05570	786.60170000000005	9.0399999999999991	HMDB0008039
PC 36:1	QI05852	788.61770000000001	9.33	HMDB0008038
PC 36:0	TF04	790.63340000000005	9.59	HMDB0008036
PC 38:6	QI05136	806.56979999999999	8.56	HMDB0007991
PC 38:4	QI05607	810.60109999999997	9.07	HMDB0008048
PC 38:3	QI05727	812.61699999999996	9.1999999999999993	HMDB0008047
PC 38:2	QI05943	814.63319999999999	9.42	HMDB0008270
PC 40:10	QI04916	826.53809999999999	8.2100000000000009	HMDB0008511
PC 40:9	TF05	828.55190000000005	8.56	HMDB0008731
PC 40:6	QI05554	834.60090000000002	9.01	HMDB0008057
PC P-34:4 or PC O-34:5	QI05650	738.54380000000003	9.1300000000000008	HMDB0011214
PC P-34:3 or PC O-34:4	TF06	740.55769999999995	9.06	HMDB0011212
PC P-34:2 or PC O-34:3	QI05454	742.57420000000002	8.91	HMDB0011211
PC P-34:1 or PC O-34:2	QI05705	744.59100000000001	9.19	HMDB0011210
PC P-34:0 or PC O-34:1	QI05706	746.60699999999997	9.19	HMDB0011208
PC P-36:4 or PC O-36:5	QI05458	766.57339999999999	8.91	HMDB0011220
PC P-36:3 or PC O-36:4	TF07	768.58950000000004	8.93	HMDB0011310
PC P-36:2 or PC O-36:3	TF08	770.60630000000003	9.07	HMDB0011244
PC P-36:1 or PC O-36:2	QI05836	772.62239999999997	9.31	HMDB0011243
PC P-36:0 or PC O-36:1	QI06103	774.6386	9.61	HMDB0011241
PC P-38:6 or PC O-38:7	QI05381	790.57510000000002	8.84	HMDB0011229
PC P-38:5 or PC O-38:6	QI05417	792.59010000000001	8.86	HMDB0011319
PC P-38:3 or PC O-38:4	QI05884	796.62170000000003	9.36	HMDB0011252
PC P-40:6 or PC O-40:7	QI05788	818.60559999999998	9.26	HMDB0011294
PE 32:1	QI05072	690.5077	8.4600000000000009	HMDB0008924
PE 32:0	QI04843	692.52319999999997	8.0399999999999991	HMDB0008923
PE 34:2	QI05191	716.5231	8.61	HMDB0008928
PE 34:0	QI05119	720.5548	8.5299999999999994	HMDB0008925
PE 36:4	QI05206	740.52319999999997	8.6300000000000008	HMDB0008937
PE 36:3	QI05303	742.53840000000002	8.76	HMDB0009060
PE 36:2	QI05567	744.55470000000003	9.0399999999999991	HMDB0008994
PE 36:1	QI05849	746.57039999999995	9.33	HMDB0008993
PE 36:0	QI05523	748.58579999999995	8.98	HMDB0008991
PE 38:6	QI05146	764.5231	8.57	HMDB0009102
PE 38:5	QI05250	766.53800000000001	8.69	HMDB0009069
PE 38:4	QI05604	768.55489999999998	9.07	HMDB0009003
PE 38:2	QI05373	772.58500000000004	8.83	HMDB0008942
PE 40:6	QI05551	792.55489999999998	9.01	HMDB0009012
PE P-34:2 or PE O-34:3	QI05452	700.529	8.91	HMDB0011343
PE P-34:1 or PE O-34:2	QI05704	702.54369999999994	9.19	HMDB0008952
PE P-36:4 or PE O-36:5	QI05468	724.52829999999994	8.92	HMDB0011410
PE P-36:3 or PE O-36:4	QI05593	726.54349999999999	9.06	HMDB0011442
PE P-36:2 or PE O-36:3	QI05829	728.55920000000003	9.3000000000000007	HMDB0011441
PE P-36:1 or PE O-36:2	QI06081	730.57569999999998	9.59	HMDB0009082
PE P-36:0 or PE O-36:1	QI05756	732.58929999999998	9.2200000000000006	HMDB0009016
PE P-38:6 or PE O-38:7	QI05403	748.52869999999996	8.85	HMDB0011420
PE P-38:5 or PE O-38:6	QI05508	750.54430000000002	8.9700000000000006	HMDB0011387
PE P-38:4 or PE O-38:5	QI05872	752.55989999999997	9.34	HMDB0011386
PE P-40:6 or PE O-40:7	QI05794	776.55989999999997	9.27	HMDB0011394
PI 32:1	TF09	809.51610000000005	8.35	HMDB0009779
PI 34:1	QI05222	837.54870000000005	8.65	HMDB0009783
PI 34:0	TF10	839.56280000000004	8.9700000000000006	HMDB0009805
PI 36:4	QI04994	859.53459999999995	8.34	HMDB0009789
PI 36:2	QI05344	863.56500000000005	8.8000000000000007	HMDB0009809
PI 38:4	QI05410	887.56560000000002	8.85	HMDB0009815
PS 32:1	TF11	734.49760000000003	6.77	HMDB0012355
PS 32:0	TF12	736.51260000000002	7.17	HMDB0000614
PS 34:1	TF13	762.52760000000001	8.75	HMDB0012357
PS 36:2	TF14	788.54190000000006	8.89	HMDB0012380
PS 36:1	TF15	790.5598	9.19	HMDB0010163
PS 40:6	QI05419	836.54520000000002	8.86	HMDB0010167
Sphingosine	TF16	300.28960000000001	4.3	HMDB0000252
Palmitoyl-EA	TF17	300.28969999999998	5.1100000000000003	HMDB0002100
Cholesterol	QI04678	369.35169999999999	7.53	HMDB0000067
Lanosterol	QI04720	409.38299999999998	7.67	HMDB0001251
Coenzyme Q9	QI06700	817.61180000000002	10.55	HMDB0006707
Coenzyme Q10	QI06958	885.67520000000002	11.18	HMDB0001072
Cer 18:1;O2/16:0	QI05084	538.52	8.48	HMDB0004949
Cer 18:1;O2/22:0	QI06263	622.61440000000005	9.8000000000000007	HMDB0004952
Cer 18:1;O2/24:1	QI06309	648.63030000000003	9.85	HMDB0004953
Cer 18:1;O2/24:0	QI06522	650.64589999999998	10.199999999999999	HMDB0004956
SM 18:1;O2/14:0	QI04782	675.54430000000002	7.83	HMDB0012097
SM 18:1;O2/16:1	QI04830	701.56010000000003	7.98	HMDB0240613
SM 18:1;O2/16:0	QI04982	703.57569999999998	8.33	HMDB0010169
SM 18:1;O2/18:1	QI05098	729.59159999999997	8.5	HMDB0012101
SM 18:1;O2/18:0	QI05363	731.60699999999997	8.82	HMDB0001348
SM 18:1;O2/20:0	QI05793	759.6386	9.27	HMDB0012102
SM 18:1;O2/22:1	QI05942	785.6549	9.42	HMDB0012104
SM 18:1;O2/22:0	QI06170	787.66970000000003	9.68	HMDB0012103
SM 18:1;O2/24:1	QI06217	813.68579999999997	9.73	HMDB0012107
SM 18:1;O2/24:0	QI06455	815.70150000000001	10.08	HMDB0011697
CE 14:0	QI07286	619.54399999999998	11.69	HMDB0006725
CE 16:1	QI07347	645.55880000000002	11.79	HMDB0000658
CE 16:0	QI07525	647.57500000000005	12.08	HMDB0000885
CE 18:3	QI07243	669.55949999999996	11.61	HMDB0010370
CE 18:2	QI07405	671.57460000000003	11.88	HMDB0000610
CE 18:1	QI07580	673.59040000000005	12.17	HMDB0000918
CE 18:0	QI07745	675.60580000000004	12.5	HMDB0010368
CE 20:5	QI07162	693.55949999999996	11.48	HMDB0006731
CE 20:4	QI07317	695.57489999999996	11.74	HMDB0006726
CE 20:3	QI07463	697.59	11.98	HMDB0006736
CE 22:6	QI07239	719.57449999999994	11.6	HMDB0006733
MG 14:1	QI02990	323.21960000000001	4.4400000000000004	HMDB0011562
MG 16:1	QI03705	339.25099999999998	5.03	HMDB0011565
MG 18:0	QI04231	381.29759999999999	5.97	HMDB0011131
MG 20:4	QI03763	401.26670000000001	5.07	NA
DG 30:0	QI05392	563.46510000000001	8.85	HMDB0007011
DG 32:2	QI05227	587.46489999999994	8.67	HMDB0007128
DG 32:1	QI05533	589.48090000000002	8.99	HMDB0007099
DG 32:0	QI05803	591.49670000000003	9.2799999999999994	HMDB0007098
DG 34:3	QI05360	613.48030000000006	8.82	HMDB0007132
DG 34:2	QI05632	615.49659999999994	9.1199999999999992	HMDB0007103
DG 34:1	QI05930	617.51250000000005	9.41	HMDB0007102
DG 34:0	QI06192	619.52819999999997	9.6999999999999993	HMDB0007100
DG 36:4	TF18	639.49680000000001	9.1199999999999992	HMDB0007248
DG 36:3	QI05786	641.51220000000001	9.26	HMDB0007219
DG 36:2	QI06028	643.52829999999994	9.5299999999999994	HMDB0007218
DG 36:1	QI06282	645.54399999999998	9.82	HMDB0007216
DG 36:0	QI06465	647.55960000000005	10.1	HMDB0007158
DG 38:5	QI05695	665.51239999999996	9.18	HMDB0007199
DG 38:4	QI06051	667.52840000000003	9.5500000000000007	HMDB0007170
TG 42:0	TF19	745.63490000000002	11.02	HMDB0072780
TG 43:0	QI06968	759.64819999999997	11.19	HMDB0042062
TG 44:1	QI06942	771.64829999999995	11.13	HMDB0042301
TG 44:0	QI07081	773.66430000000003	11.35	HMDB0042063
TG 45:2	TF20	783.64970000000005	10.94	HMDB0043170
TG 45:1	QI07050	785.66380000000004	11.31	HMDB0042099
TG 45:0	QI07181	787.67960000000005	11.5	HMDB0042093
TG 46:2	QI07031	797.66430000000003	11.29	HMDB0010419
TG 46:1	QI07136	799.67970000000003	11.44	HMDB0010412
TG 46:0	QI07265	801.69550000000004	11.66	HMDB0010411
TG 47:2	QI07127	811.67949999999996	11.43	HMDB0042076
TG 47:1	QI07245	813.69569999999999	11.61	HMDB0042100
TG 47:0	QI07365	815.71079999999995	11.81	HMDB0042094
TG 48:3	QI07038	823.6798	11.3	HMDB0005432
TG 48:2	QI07192	825.69560000000001	11.52	HMDB0005376
TG 48:1	QI07323	827.71100000000001	11.74	HMDB0005359
TG 48:0	QI07453	829.72670000000005	11.97	HMDB0005356
TG 49:2	QI07304	839.71169999999995	11.72	HMDB0011706
TG 49:1	QI07415	841.72699999999998	11.9	HMDB0011705
TG 49:0	QI07556	843.74270000000001	12.13	HMDB0042095
TG 50:4	QI07172	849.69550000000004	11.49	HMDB0005435
TG 50:3	QI07247	851.71109999999999	11.61	HMDB0005433
TG 50:2	QI07376	853.7269	11.83	HMDB0005377
TG 50:1	QI07505	855.74249999999995	12.06	HMDB0005360
TG 50:0	QI07645	857.75819999999999	12.31	HMDB0005357
TG 51:2	QI07470	867.74249999999995	11.99	HMDB0005362
TG 51:1	QI07609	869.75810000000001	12.22	HMDB0042104
TG 51:0	QI07740	866.81809999999996	12.49	HMDB0031106
TG 52:6	QI07112	873.69640000000004	11.4	HMDB0005436
TG 52:5	QI07189	875.71159999999998	11.51	HMDB0005380
TG 52:4	QI07289	877.72739999999999	11.69	HMDB0005363
TG 52:3	QI07429	879.74239999999998	11.92	HMDB0005384
TG 52:2	QI07566	881.75819999999999	12.15	HMDB0005369
TG 52:1	QI07694	883.77390000000003	12.4	HMDB0005367
TG 52:0	QI07820	885.78920000000005	12.67	HMDB0005365
TG 53:3	QI07532	893.7586	12.09	HMDB0043058
TG 53:2	QI07655	895.77369999999996	12.32	HMDB0042196
TG 54:7	QI07174	899.71119999999996	11.49	HMDB0005447
TG 54:6	QI07295	901.7269	11.7	HMDB0005391
TG 54:5	QI07362	903.7423	11.8	HMDB0005385
TG 54:4	QI07481	905.75819999999999	12.01	HMDB0005370
TG 54:3	QI07627	907.77390000000003	12.26	HMDB0005405
TG 54:2	QI07747	909.78970000000004	12.5	HMDB0005403
TG 54:1	QI07856	911.80510000000004	12.77	HMDB0005395
TG 56:7	QI07351	927.7423	11.79	HMDB0005462
TG 56:6	QI07484	929.75779999999997	12.01	HMDB0005456
TG 56:5	QI07558	931.77369999999996	12.13	HMDB0005406
TG 56:4	QI07680	933.79010000000005	12.36	HMDB0005398
TG 56:3	QI07803	935.80510000000004	12.61	HMDB0005410
TG 56:2	QI07907	937.82050000000004	12.88	HMDB0005404
TG 56:1	QI08032	939.8365	13.19	HMDB0005396
TG 58:7	QI07539	955.77449999999999	12.11	HMDB0005471
TG 58:6	QI07669	957.79010000000005	12.34	HMDB0005458
METABOLITES_END
#END