#METABOLOMICS WORKBENCH parthosen_20210128_003828 DATATRACK_ID:2430 STUDY_ID:ST001676 ANALYSIS_ID:AN002734 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	February 2, 2021, 2:10 pm
#PROJECT
PR:PROJECT_TITLE                 	Quantitative analysis and genome-scale modeling of human CD4+ T-cell
PR:PROJECT_TITLE                 	differentiation reveals subset-specific regulation of glycosphingolipid pathways
PR:PROJECT_TYPE                  	MS: Lipidomics: untargeted
PR:PROJECT_SUMMARY               	This project is associated with five different studies (Part 1-5) and each study
PR:PROJECT_SUMMARY               	is associated with one dataset. All the datasets are submitted to Metabolomics
PR:PROJECT_SUMMARY               	Workbench. Part 1/5: It includes untargeted lipidomic analysis of CD4+ T-cell
PR:PROJECT_SUMMARY               	subsets (Th1,Th2,Th17 and iTreg cells) and their paired control (Th0) cells.
PR:PROJECT_SUMMARY               	Part 2/5: It includes quantitative targeted measurements of sphingolipids
PR:PROJECT_SUMMARY               	(ceramides and glycosphingolipids) in Th17, iTreg, and their paired control
PR:PROJECT_SUMMARY               	(Th0) cells. Part 3/5: It includes quantitative targeted measurements of
PR:PROJECT_SUMMARY               	sphingolipids (ceramides and glycosphingolipids) in Th17 cells before(scrambled
PR:PROJECT_SUMMARY               	/ control) and after the triple knockdown of SPTLC1,2,3 genes (SPT de novo
PR:PROJECT_SUMMARY               	pathway: sphingolipid metabolism). Part 4/5: It includes quantitative targeted
PR:PROJECT_SUMMARY               	measurements of sphingolipids(ceramides, glycosphingolipids) in Th17 cells
PR:PROJECT_SUMMARY               	before (scrambled / control) and after the knockdown of UGCG gene (GCS pathway:
PR:PROJECT_SUMMARY               	sphingolipid metabolism). Part 5/5: It includes measurements of sphingolipids
PR:PROJECT_SUMMARY               	(sphingomyelins) in Th17 cells before (scrambled / control) and after the
PR:PROJECT_SUMMARY               	knockdown of UGCG gene (GCS pathway: sphingolipid metabolism).
PR:INSTITUTE                     	University of Turku
PR:DEPARTMENT                    	Systems Medicine, Turku Bioscience
PR:LAST_NAME                     	Sen
PR:FIRST_NAME                    	Partho
PR:ADDRESS                       	Tykistökatu 6B, BioCity, 5th Floor, Turku, Southwest, 20521, Finland
PR:EMAIL                         	partho.sen@utu.fi
PR:PHONE                         	0469608145
#STUDY
ST:STUDY_TITLE                   	Lipidomic analysis of CD4+ T-cell subsets (Th1,Th2,Th17 and iTreg cells) (part
ST:STUDY_TITLE                   	I)
ST:STUDY_TYPE                    	MS, untargeted cell-based lipidomics
ST:STUDY_SUMMARY                 	Part 1/5: It includes lipidomic analysis of CD4+ T-cell subsets(Th1,Th2,Th17 and
ST:STUDY_SUMMARY                 	iTreg cells)and their paired controls(Th0 cells).
ST:INSTITUTE                     	University of Turku
ST:DEPARTMENT                    	Systems Medicine, Turku Bioscience
ST:LABORATORY                    	Systems Medicine
ST:LAST_NAME                     	Sen
ST:FIRST_NAME                    	Partho
ST:ADDRESS                       	Tykistökatu 6B, BioCity, 5th Floor, Turku, Southwest, 20521, Finland
ST:EMAIL                         	partho.sen@utu.fi
ST:PHONE                         	0469608145
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Not applicable
SU:CELL_COUNTS                   	5M
#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           	-	Th1_D1	Donors:D1 | Cell Type:Th1 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0011.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th2_D1	Donors:D1 | Cell Type:Th2 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0008.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th17_D1	Donors:D1 | Cell Type:Th17 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0021.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Treg_D1	Donors:D1 | Cell Type:Treg | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0036.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Thp_D1	Donors:D1 | Cell Type:Thp | Treatment:T-naive	RAW_FILE_NAME=5518_LC_20190529_sample_0025.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Thp_CD25_D1	Donors:D1 | Cell Type:Thp_CD25 | Treatment:T-naive	RAW_FILE_NAME=5518_LC_20190529_sample_0018.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Th1/Th2)_D1	Donors:D1 | Cell Type:Th0_(Th1/Th2) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0052.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Treg)_D1	Donors:D1 | Cell Type:Th0_(Treg) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0041.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Th17)_D1	Donors:D1 | Cell Type:Th0_(Th17) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0053.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th1_D2	Donors:D2 | Cell Type:Th1 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0045.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th2_D2	Donors:D2 | Cell Type:Th2 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0012.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th17_D2	Donors:D2 | Cell Type:Th17 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0015.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Treg_D2	Donors:D2 | Cell Type:Treg | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0051.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Thp_D2	Donors:D2 | Cell Type:Thp | Treatment:T-naive	RAW_FILE_NAME=5518_LC_20190529_sample_0027.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Thp_CD25_D2	Donors:D2 | Cell Type:Thp_CD25 | Treatment:T-naive	RAW_FILE_NAME=5518_LC_20190529_sample_0004.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Th1/Th2)_D2	Donors:D2 | Cell Type:Th0_(Th1/Th2) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0007.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Treg)_D2	Donors:D2 | Cell Type:Th0_(Treg) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0048.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Th17)_D2	Donors:D2 | Cell Type:Th0_(Th17) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0033.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th1_D3	Donors:D3 | Cell Type:Th1 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0043.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th2_D3	Donors:D3 | Cell Type:Th2 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0023.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th17_D3	Donors:D3 | Cell Type:Th17 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0030.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Treg_D3	Donors:D3 | Cell Type:Treg | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0003.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Thp_D3	Donors:D3 | Cell Type:Thp | Treatment:T-naive	RAW_FILE_NAME=5518_LC_20190529_sample_0031.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Th1/Th2)_D3	Donors:D3 | Cell Type:Th0_(Th1/Th2) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0001.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Treg)_D3	Donors:D3 | Cell Type:Th0_(Treg) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0042.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Th17)_D3	Donors:D3 | Cell Type:Th0_(Th17) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0029.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th1_D4	Donors:D4 | Cell Type:Th1 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0017.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th2_D4	Donors:D4 | Cell Type:Th2 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0010.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th17_D4	Donors:D4 | Cell Type:Th17 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0054.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Treg_D4	Donors:D4 | Cell Type:Treg | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0049.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Thp_D4	Donors:D4 | Cell Type:Thp | Treatment:T-naive	RAW_FILE_NAME=5518_LC_20190529_sample_0016.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Thp_CD25_D4	Donors:D4 | Cell Type:Thp_CD25 | Treatment:T-naive	RAW_FILE_NAME=5518_LC_20190529_sample_0024.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Th1/Th2)_D4	Donors:D4 | Cell Type:Th0_(Th1/Th2) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0019.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Treg)_D4	Donors:D4 | Cell Type:Th0_(Treg) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0035.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Th17)_D4	Donors:D4 | Cell Type:Th0_(Th17) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0037.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th1_D5	Donors:D5 | Cell Type:Th1 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0056.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th2_D5	Donors:D5 | Cell Type:Th2 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0038.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th17_D5	Donors:D5 | Cell Type:Th17 | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0044.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Treg_D5	Donors:D5 | Cell Type:Treg | Treatment:Differentiated	RAW_FILE_NAME=5518_LC_20190529_sample_0005.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Thp_D5	Donors:D5 | Cell Type:Thp | Treatment:T-naive	RAW_FILE_NAME=5518_LC_20190529_sample_0002.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Thp_CD25_D5	Donors:D5 | Cell Type:Thp_CD25 | Treatment:T-naive	RAW_FILE_NAME=5518_LC_20190529_sample_0047.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Th1/Th2)_D5	Donors:D5 | Cell Type:Th0_(Th1/Th2) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0032.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Treg)_D5	Donors:D5 | Cell Type:Th0_(Treg) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0014.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	Th0_(Th17)_D5	Donors:D5 | Cell Type:Th0_(Th17) | Treatment:Activated	RAW_FILE_NAME=5518_LC_20190529_sample_0026.mzdata.xml
SUBJECT_SAMPLE_FACTORS           	-	m/z	Donors:mass / charge | Cell Type:- | Treatment:-	RAW_FILE_NAME=-
SUBJECT_SAMPLE_FACTORS           	-	RT	Donors:retention time | Cell Type:- | Treatment:-	RAW_FILE_NAME=-
#COLLECTION
CO:COLLECTION_SUMMARY            	CD4+ T-cells were isolated from human umbilical cord blood as described
CO:COLLECTION_SUMMARY            	previously[1-3]. 1. Ubaid, U. et al. Transcriptional Repressor HIC1 Contributes
CO:COLLECTION_SUMMARY            	to Suppressive Function of Human Induced Regulatory T Cells. Cell Rep 22,
CO:COLLECTION_SUMMARY            	2094-2106, doi:10.1016/j.celrep.2018.01.070 (2018). 2. Khan, M. M. et al. CIP2A
CO:COLLECTION_SUMMARY            	Constrains Th17 Differentiation by Modulating STAT3 Signaling. iScience 23,
CO:COLLECTION_SUMMARY            	100947, doi:10.1016/j.isci.2020.100947 (2020). 3. Tripathi, S. K. et al.
CO:COLLECTION_SUMMARY            	Genome-wide Analysis of STAT3-Mediated Transcription during Early Human Th17
CO:COLLECTION_SUMMARY            	Cell Differentiation. Cell Rep 19, 1888-1901, doi:10.1016/j.celrep.2017.05.013
CO:COLLECTION_SUMMARY            	(2017).
CO:SAMPLE_TYPE                   	T-cells
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	For Th17 cell differentiation, isolated CD4+ cells were activated with a
TR:TREATMENT_SUMMARY             	combination of plate-bound anti-CD3 (750 ng/24-well culture plate well;
TR:TREATMENT_SUMMARY             	Immunotech/Beckman Coulter REF # IM-1304) and soluble anti-CD28 ((1ug/mL;
TR:TREATMENT_SUMMARY             	Immunotech/Beckman coulter REF # IM1376) antibodies in serum-free X-Vivo 20
TR:TREATMENT_SUMMARY             	medium (Lonza), in the absence (Th0) or presence (Th17) of IL-6 (20ng/ml, Roche,
TR:TREATMENT_SUMMARY             	Cat# 11138600 001); IL-1β (10ng/ml, R&D Systems Cat # 201 LB); TGF-β1
TR:TREATMENT_SUMMARY             	(10ng/ml, R&D Systems Cat# 240); anti-IL-4 (1 g/ml) R&D Systems Cat# MAB204)
TR:TREATMENT_SUMMARY             	and anti-IFN-γ (1 μg/ml R&D Systems Cat#MAB-285). Differentiation of Th17
TR:TREATMENT_SUMMARY             	cells was confirmed by measuring IL-17 expression by quantitative real-time PCR,
TR:TREATMENT_SUMMARY             	at 72 hours of Th17 / Th0 culturing. For iTreg cell culturing, after of CD25+
TR:TREATMENT_SUMMARY             	cells, done using LD columns and a CD25 depletion kit (Miltenyi Biotec),
TR:TREATMENT_SUMMARY             	CD4+CD25− cells were activated with plate-bound anti-CD3 (500 ng/24-well
TR:TREATMENT_SUMMARY             	culture plate well) and soluble anti-CD28 (500 ng/mL) at a density of 2 × 106
TR:TREATMENT_SUMMARY             	cells/mL of X-vivo 15 serum-free medium (Lonza). For iTreg differentiation, the
TR:TREATMENT_SUMMARY             	medium was supplemented with IL-2 (12 ng/mL), TGF-β (10 ng/mL) (both from R&D
TR:TREATMENT_SUMMARY             	Systems), all-trans retinoic acid (ATRA) (10 nM; Sigma-Aldrich), and human serum
TR:TREATMENT_SUMMARY             	(10%) and cultured at 37°C in 5% CO2. Control Th0 cells were stimulated with
TR:TREATMENT_SUMMARY             	plate-bound anti-CD3 soluble anti-CD28 antibodies without cytokines. For
TR:TREATMENT_SUMMARY             	confirmation of iTreg cell differentiation, we used intracellular staining to
TR:TREATMENT_SUMMARY             	measure, at 72 hours of iTreg culturing, expression of FOXP3 which is the major
TR:TREATMENT_SUMMARY             	transcription factor driving Treg differentiation. Intracellular staining was
TR:TREATMENT_SUMMARY             	performed using buffer sets of Human Regulatory T-cell Staining Kit
TR:TREATMENT_SUMMARY             	(eBioscience/Thermo Fisher Scientific), following the manufacturer’s protocol.
TR:TREATMENT_SUMMARY             	The following antibodies were used: anti-human FOXP3-PE (eBioscience, Cat. No.
TR:TREATMENT_SUMMARY             	12-4776-42) and rat IgG2a isotype control (eBioscience, Cat. No. 72-4321-77A).
TR:TREATMENT_SUMMARY             	All samples were acquired by a flow cytometer (LSRII) and analyzed either with
TR:TREATMENT_SUMMARY             	FlowJo (FLOWJO, LLC) or with Flowing Software. For Th1 and Th2 cells, purified
TR:TREATMENT_SUMMARY             	naive CD4+ T-cells were activated with plate-bound anti-CD3 (500 ng/24-well
TR:TREATMENT_SUMMARY             	culture plate well) and 500 ng/ml soluble anti-CD28 and cultured in the absence
TR:TREATMENT_SUMMARY             	(Th0) or presence of 2.5 ng/ml IL-12 (R&D Systems) (Th1) or 10 ng/ml IL-4 (R&D
TR:TREATMENT_SUMMARY             	Systems) (for Th2). At 48 hours following the activation of the cells, 17 ng/ml
TR:TREATMENT_SUMMARY             	IL-2 (R&D Systems) was added to the cultures. Differentiation of Th1 and Th2
TR:TREATMENT_SUMMARY             	cells was confirmed by measuring (using flow cytometry) the expression of T-bet
TR:TREATMENT_SUMMARY             	and Gata3 at 72 hours after cell activation. Briefly, cells were fixed and
TR:TREATMENT_SUMMARY             	permeabilized using the Intracellular Fixation & Permeabilization Buffer Set
TR:TREATMENT_SUMMARY             	(eBioscience / Thermo Fisher Scientific), according the manufacturer’s
TR:TREATMENT_SUMMARY             	protocol. The following antibodies were used: anti-human GATA3-PE (eBioscience,
TR:TREATMENT_SUMMARY             	12-9966), anti-human T-bet-BV711 (BD, 563320) and corresponding isotype controls
TR:TREATMENT_SUMMARY             	(BV711 Mouse IgG1, BD, 563044 and PE Rat IgG2b, eBioscience, 12-4031-82).
TR:TREATMENT_SUMMARY             	Samples were acquired by BD LSRFortessa™ cell analyzer and data were analyzed
TR:TREATMENT_SUMMARY             	using FlowJo software (FLOWJO, LLC).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The samples were randomized and extracted using a modified version of the
SP:SAMPLEPREP_SUMMARY            	previously-published Folch procedure. Briefly, 150 µL of 0.9% NaCl was added to
SP:SAMPLEPREP_SUMMARY            	cell pellets, and samples then vortexed and ultrasonicated for 3 minutes. Next,
SP:SAMPLEPREP_SUMMARY            	20 µL of the cell suspension was mixed with 150 µL of the 2.5 µg mL-1
SP:SAMPLEPREP_SUMMARY            	internal standards solution in ice-cold CHCl3:MeOH (2:1, v/v). The internal
SP:SAMPLEPREP_SUMMARY            	standard solution contained the following compounds:
SP:SAMPLEPREP_SUMMARY            	1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine (PE (17:0/17:0)),
SP:SAMPLEPREP_SUMMARY            	N-heptadecanoyl-D-erythro-sphingosylphosphorylcholine (SM(d18:1/17:0)),
SP:SAMPLEPREP_SUMMARY            	N-heptadecanoyl-D-erythro-sphingosine (Cer(d18:1/17:0)),
SP:SAMPLEPREP_SUMMARY            	1,2-diheptadeca-noyl-sn-glycero-3-phosphocholine (PC(17:0/17:0)),
SP:SAMPLEPREP_SUMMARY            	1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine (LPC(17:0)) and
SP:SAMPLEPREP_SUMMARY            	1-palmitoyl-d31-2-oleoyl-sn-glycero-3-phosphocholine (PC(16:0/d31/18:1)). These
SP:SAMPLEPREP_SUMMARY            	were purchased from Avanti Polar Lipids, Inc. (Alabaster, AL, USA). In addition,
SP:SAMPLEPREP_SUMMARY            	triheptadecanoin (TG(17:0/17:0/17:0)) was purchased from (Larodan AB, (Solna,
SP:SAMPLEPREP_SUMMARY            	Sweden). The samples were vortexed and incubated on ice for 30 min after which
SP:SAMPLEPREP_SUMMARY            	they were centrifuged at 7800 × g for 5 min. Finally, 60 µL from the lower
SP:SAMPLEPREP_SUMMARY            	layer of each sample was collected and mixed with 60 µL of ice cold CHCl3:MeOH
SP:SAMPLEPREP_SUMMARY            	(2:1, v/v) in LC vial. The total protein content in cells was measured by the
SP:SAMPLEPREP_SUMMARY            	Bradford method.
SP:PROCESSING_STORAGE_CONDITIONS 	-80℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Chromatographic separation was performed on an ACQUITY UHPLC BEH C18 column (2.1
CH:CHROMATOGRAPHY_SUMMARY        	mm × 100 mm, particle size 1.7 µm, Waters, Milford, MA, USA). The flow rate
CH:CHROMATOGRAPHY_SUMMARY        	was set at 0.4 ml/min throughout the run with an injection volume of 1 µL. The
CH:CHROMATOGRAPHY_SUMMARY        	following solvents were used for the gradient elution: Solvent A was H2O with 1%
CH:CHROMATOGRAPHY_SUMMARY        	NH4Ac (1M) and HCOOH (0.1%) added. Solvent B was a mixture of ACN: IPA (1:1 v/v)
CH:CHROMATOGRAPHY_SUMMARY        	with 1% NH4Ac (1M) and HCOOH (0.1%) added. The gradient was programmed as
CH:CHROMATOGRAPHY_SUMMARY        	follows: 0 to 2 min 35-80% B, 2 to 7 min 80-100 % B, 7 to 14 min 100% B. The
CH:CHROMATOGRAPHY_SUMMARY        	column was equilibrated with a 7min period of 35 % B prior to the next run.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity UHPLC UNSPSC 41115709
CH:COLUMN_NAME                   	Waters BEH C18 (2.1 mm × 100 mm, 1.7 µm )
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6540 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The UHPLC-QTOFMS analyses were done with some modifications on two separate
MS:MS_COMMENTS                   	instruments. The initial lipidomic results were acquired on a UHPLC-QTOFMS
MS:MS_COMMENTS                   	system from Agilent Technologies (Santa Clara, CA, USA) combining a 1290
MS:MS_COMMENTS                   	Infinity LC system and 6545 quadrupole time of flight mass spectrometer
MS:MS_COMMENTS                   	(QTOFMS), interfaced with a dual jet stream electrospray (dual ESI) ion source.
MS:MS_COMMENTS                   	MassHunter B.06.01 software (Agilent Technologies, Santa Clara, CA, USA) was
MS:MS_COMMENTS                   	used for all data acquisition. The SM results for UGCG-silenced Th17 cells data
MS:MS_COMMENTS                   	was acquired on a UHPLC-QTOF system from Bruker (Bruker, Billerica, MA, USA)
MS:MS_COMMENTS                   	combining an Elute UHPLC binary pump and an Impact II system QTOF system. The
MS:MS_COMMENTS                   	samples for this experiments were the same extracts that the ceramide (Cer) data
MS:MS_COMMENTS                   	was acquired from and had SM(18:1/17:0) spiked in prior to acquisition. The data
MS:MS_COMMENTS                   	was acquired using the Hystar suite of software. MZmine 2 was used for all the
MS:MS_COMMENTS                   	untargeted data processing. MS data were processed using the open source
MS:MS_COMMENTS                   	software MZmine 2.53. The following data processing steps were applied to the
MS:MS_COMMENTS                   	raw MS data: (1) Crop filtering with a m/z range of 350 – 1200 m/z and a
MS:MS_COMMENTS                   	retention time (RT) range of 2 to 15 minutes; (2) Mass detection with a noise
MS:MS_COMMENTS                   	level of 900; (3) Chromatogram builder with a min time span of 0.08 minutes,
MS:MS_COMMENTS                   	minimum height of 900 and m/z tolerance of 0.006 m/z or 10.0 ppm; (4)
MS:MS_COMMENTS                   	Chromatogram deconvolution using the local minimum search algorithm with a 70%
MS:MS_COMMENTS                   	chromatographic threshold, 0.05 min minimum RT range, 5% minimum relative
MS:MS_COMMENTS                   	height, 1200 minimum absolute height, a minimum ration of peak top/edge of 1.2
MS:MS_COMMENTS                   	and a peak duration range of 0.08 - 1.01 minutes; (5) Isotopic peak grouper with
MS:MS_COMMENTS                   	a m/z tolerance of 5.0 ppm, RT tolerance of 0.05 minute, maximum charge of 2 and
MS:MS_COMMENTS                   	with the most intense isotope set as the representative isotope; (6) Join
MS:MS_COMMENTS                   	aligner with m/z tolerance of 0.009 or 10.0 ppm and a weight of 2, RT tolerance
MS:MS_COMMENTS                   	of 0.1 minute and a weight of 1 and with no requirement of charge state or ID
MS:MS_COMMENTS                   	and no comparison of isotope pattern; (7) Peak list row filter with a minimum of
MS:MS_COMMENTS                   	7 peaks in a row (10% of the samples); (8) Gap filling using the same RT and m/z
MS:MS_COMMENTS                   	range gap filler algorithm with an m/z tolerance of 0.009 m/z or 11.0 ppm; (9)
MS:MS_COMMENTS                   	Identification of lipids using a custom database (based on UHPLC-MS/MS data
MS:MS_COMMENTS                   	using the same lipidomics protocol, with RT data and MS and MS/MS) search with
MS:MS_COMMENTS                   	an m/z tolerance of 0.009 m/z or 10.0 ppm and a RT tolerance of 0.2 min. In
MS:MS_COMMENTS                   	general, lipids were identified at the total number of carbons and double bonds
MS:MS_COMMENTS                   	in the structure as there was insufficient evidence to assign the specific acyl
MS:MS_COMMENTS                   	chains. Where the acyl chains are identified these have been confirmed with
MS:MS_COMMENTS                   	MS/MS level experiments and/or authentic standards. (10) Normalization using
MS:MS_COMMENTS                   	internal standards (PE (17:0/17:0), SM (d18:1/17:0), Cer (d18:1/17:0), LPC
MS:MS_COMMENTS                   	(17:0), TG (17:0/17:0/17:0) and PC (16:0/d30/18:1)) for identified lipids and
MS:MS_COMMENTS                   	closest internal standard (based on RT) for the unknown lipids, followed by
MS:MS_COMMENTS                   	calculation of the concentrations based on lipid-class calibration curves.
MS:MS_COMMENTS                   	Identification of lipids was done using an in-house spectral library with MS
MS:MS_COMMENTS                   	(and retention time), MS/MS information, and by searching the LIPID MAPS
MS:MS_COMMENTS                   	spectral database (http://www.lipidmaps.org). MS/MS data were acquired in both
MS:MS_COMMENTS                   	negative and positive ion modes in order to maximize identification coverage.
MS:MS_COMMENTS                   	Additionally, some lipids were verified by injection of commercial standards.
MS:MS_COMMENTS                   	The identification was carried out in pooled cell extracts. The peak area
MS:MS_COMMENTS                   	obtained for each lipid was normalized with lipid-class specific internal
MS:MS_COMMENTS                   	standards and with total content of protein. A (semi) quantitation was performed
MS:MS_COMMENTS                   	using lipid-class specific calibration curves. Pooled cell extracts were used
MS:MS_COMMENTS                   	for quality control, in addition to in-house plasma. The raw variation of the
MS:MS_COMMENTS                   	peak areas of internal standards in the samples was on average 15.3% and the RSD
MS:MS_COMMENTS                   	of retention times of identified lipids across all samples was on average 0.28%.
MS:MS_COMMENTS                   	The RSD of the concentrations of the identified lipids in QC samples and pooled
MS:MS_COMMENTS                   	extracts was on average 17.7%.
MS:MS_RESULTS_FILE               	ST001676_AN002734_Results.txt	UNITS:Intensities		Has m/z:Yes	Has RT:Yes	RT units:Minutes
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Intensities
MS_METABOLITE_DATA_START
Samples	Th1_D1	Th2_D1	Th17_D1	Treg_D1	Thp_D1	Thp_CD25_D1	Th1_D2	Th2_D2	Th17_D2	Treg_D2	Thp_D2	Thp_CD25_D2	Th1_D3	Th2_D3	Th17_D3	Treg_D3	Thp_D3	Th1_D4	Th2_D4	Th17_D4	Treg_D4	Thp_D4	Thp_CD25_D4	Th1_D5	Th2_D5	Th17_D5	Treg_D5	Thp_D5	Thp_CD25_D5	Th0_(Th1/Th2)_D1	Th0_(Treg)_D1	Th0_(Th17)_D1	Th0_(Th1/Th2)_D2	Th0_(Treg)_D2	Th0_(Th17)_D2	Th0_(Th1/Th2)_D3	Th0_(Treg)_D3	Th0_(Th17)_D3	Th0_(Th1/Th2)_D4	Th0_(Treg)_D4	Th0_(Th17)_D4	Th0_(Th1/Th2)_D5	Th0_(Treg)_D5	Th0_(Th17)_D5
Factors	Donors:D1 | Cell Type:Th1 | Treatment:Differentiated	Donors:D1 | Cell Type:Th2 | Treatment:Differentiated	Donors:D1 | Cell Type:Th17 | Treatment:Differentiated	Donors:D1 | Cell Type:Treg | Treatment:Differentiated	Donors:D1 | Cell Type:Thp | Treatment:T-naive	Donors:D1 | Cell Type:Thp_CD25 | Treatment:T-naive	Donors:D2 | Cell Type:Th1 | Treatment:Differentiated	Donors:D2 | Cell Type:Th2 | Treatment:Differentiated	Donors:D2 | Cell Type:Th17 | Treatment:Differentiated	Donors:D2 | Cell Type:Treg | Treatment:Differentiated	Donors:D2 | Cell Type:Thp | Treatment:T-naive	Donors:D2 | Cell Type:Thp_CD25 | Treatment:T-naive	Donors:D3 | Cell Type:Th1 | Treatment:Differentiated	Donors:D3 | Cell Type:Th2 | Treatment:Differentiated	Donors:D3 | Cell Type:Th17 | Treatment:Differentiated	Donors:D3 | Cell Type:Treg | Treatment:Differentiated	Donors:D3 | Cell Type:Thp | Treatment:T-naive	Donors:D4 | Cell Type:Th1 | Treatment:Differentiated	Donors:D4 | Cell Type:Th2 | Treatment:Differentiated	Donors:D4 | Cell Type:Th17 | Treatment:Differentiated	Donors:D4 | Cell Type:Treg | Treatment:Differentiated	Donors:D4 | Cell Type:Thp | Treatment:T-naive	Donors:D4 | Cell Type:Thp_CD25 | Treatment:T-naive	Donors:D5 | Cell Type:Th1 | Treatment:Differentiated	Donors:D5 | Cell Type:Th2 | Treatment:Differentiated	Donors:D5 | Cell Type:Th17 | Treatment:Differentiated	Donors:D5 | Cell Type:Treg | Treatment:Differentiated	Donors:D5 | Cell Type:Thp | Treatment:T-naive	Donors:D5 | Cell Type:Thp_CD25 | Treatment:T-naive	Donors:D1 | Cell Type:Th0_(Th1/Th2) | Treatment:Activated	Donors:D1 | Cell Type:Th0_(Treg) | Treatment:Activated	Donors:D1 | Cell Type:Th0_(Th17) | Treatment:Activated	Donors:D2 | Cell Type:Th0_(Th1/Th2) | Treatment:Activated	Donors:D2 | Cell Type:Th0_(Treg) | Treatment:Activated	Donors:D2 | Cell Type:Th0_(Th17) | Treatment:Activated	Donors:D3 | Cell Type:Th0_(Th1/Th2) | Treatment:Activated	Donors:D3 | Cell Type:Th0_(Treg) | Treatment:Activated	Donors:D3 | Cell Type:Th0_(Th17) | Treatment:Activated	Donors:D4 | Cell Type:Th0_(Th1/Th2) | Treatment:Activated	Donors:D4 | Cell Type:Th0_(Treg) | Treatment:Activated	Donors:D4 | Cell Type:Th0_(Th17) | Treatment:Activated	Donors:D5 | Cell Type:Th0_(Th1/Th2) | Treatment:Activated	Donors:D5 | Cell Type:Th0_(Treg) | Treatment:Activated	Donors:D5 | Cell Type:Th0_(Th17) | Treatment:Activated
CE(16:0)	2059.3	6301.11	808.73	1750.29	8873.5	10632.82	3975.95	4525.04	1494.02	2071.34	922.48	6108	2343.28	3131.46	1722.47	794.57	9465.83	1575.52	2608.25	996.79	938.51	6150.58	4517.48	2394.85	2963.67	946.46	1174.83	4105.91	5631.59	3159.07	2344.51	3786.61	8099.64	2032.89	5804.47	2725.31	1663.97	1580.98	2230.24	861.44	1441.36	2916.07	1423.06	1082.2
CE(18:1)	53.97	104.84	8.74	53.05	68.75	124.6	162.28	112.03	6.72	79.92	11.12	17.72	16.25	66.15	9.68	35.93	231.66	40.61	82.36	23.79	110.52	141.14	94.12	67.18	40.59	15.65	89.29	65.85	65.62	41.09	26.3	22.74	146.32	13.58	23.99	58.4	10.63	12.37	70.78	10.04	10.32	42.01	14.3	12.53
CE(18:2)	59.76	100.75	10.99	50.43	63.49	207.53	82.84	144.59	8.94	78.09	9.31	33.52	16.13	39.98	16.68	14.06	47.87	45.83	92.98	40.66	124.51	66.28	19	26.34	37.2	32.81	73.62	39.85	54.44	57.6	23.03	29.25	348.61	9.21	34.84	38.17	12.09	17.35	16.95	11.4	16.01	51.28	7.9	9.75
Cer(d18:1/16:0)	13.22	40.17	37.61	28	50.13	42.01	22.38	26	66.9	38.93	1.59	34.24	13.65	12.79	41.76	23.81	31.58	18.15	31.71	96.87	33.2	38.77	42.52	11.95	14.12	31.34	74.16	52.71	16.59	18.46	10.03	52.4	36.82	11.17	48.18	15.92	16.95	15.21	28.28	21.05	47.12	14.08	12.18	48.56
Cer(d18:1/24:0)	19.91	43.98	11.22	58.36	73.35	16.55	27.03	32.82	34.66	73.38	5.6	22.09	15.17	26.29	95.02	20.04	57.05	39.03	58.66	176.78	45.03	124.98	62.76	20.52	28.75	74.99	63.37	39.68	46.08	23.76	4.43	20.64	64.28	8.44	24.13	11.36	14.31	32.33	51.2	10.74	97.2	28.7	10.37	88.3
Cer(d18:1/24:1)	25.87	36.17	29.63	56.86	94.8	49.34	35.16	12.64	77.37	64.29	6.01	24.39	4.65	25.1	58.97	13.53	60.41	26.3	47.72	74.98	47.43	102.39	47.74	13.71	19.3	32.97	61.34	41.95	33.64	26.55	3.3	42.9	37.99	7.35	44.13	12.03	14.9	16.29	25.73	23.44	55.17	29.8	5.96	48.24
Cer(d35:1)	9768.51	29599.38	4508.13	9756.22	49552.83	60979.97	23986.33	21957.9	7911.32	13342.87	5002.9	58871.45	16160.5	17394.82	9590.2	6145	50655.53	8559.95	11575.49	6516.28	5215.49	35662.99	23840.92	16493.32	15747.12	5631.52	9800.98	35336.22	37216.95	22030.5	13410.74	25997.38	44277.31	12126.51	31688.9	27064.73	9147.67	8611.37	12204.22	4646.39	7776.29	15877.25	7889.83	5633.67
Cer(d42:1)	20.62	39.18	11.11	51.32	101.39	17.43	40.05	32.83	25.64	103.97	5.64	35.4	15.85	31.54	102.16	22.05	58.51	30.97	62.47	222.93	54.74	109.86	54.61	18.14	33.37	96.3	79.08	51.95	51.72	28.84	3.88	20.66	77.85	7.95	17.6	6.26	6.78	28.79	51.67	11.64	96.79	31.37	7.15	80.6
LacCer(d18:1/16:0)	5.9	2.25	20.24	13.98	3.65	5.8	0	2.27	41.73	23.66	1.01	4.04	0.92	0	31.86	8.01	4.46	5.87	8.88	114.33	34.54	22.21	18.79	0	1.32	46.25	36.34	9.72	2.8	1.86	8.32	6.01	3.25	6.24	7.8	2.42	3.1	4.84	5.24	12.18	52.39	7.08	6.62	26.75
LPC(16:0)	390.08	912.25	126.6	286.71	316.97	364.04	393.41	695.71	1244.42	548.93	101.47	434.82	161.28	535.38	809.54	258.81	606.51	503.63	1180.26	1560.64	235.33	386.65	284.35	266.78	568.85	845.87	541.87	403.97	378.6	568.13	363.83	195.2	814.59	568.15	93.41	415.21	195.36	294.31	803.69	265.59	663.46	432.92	343.44	1030.72
LPC(16:0e)	19.83	127.12	29.07	100.77	115.99	162.67	18.08	53.34	11.65	69.31	0	60.45	23.46	60.4	87.81	20.65	166.28	58.45	188.1	532.17	32.02	56.83	120.68	31.61	24.78	273.43	27.18	55.48	35.41	43.71	20.63	22	87.36	44.34	68.61	0	8.46	28.54	36.66	17.8	318.25	0	11.93	253.68
LPC(18:0)	207	323.51	28.77	162.37	550.07	296.27	377.87	410.75	607.29	326.92	18.1	525.95	164.69	70.96	135.66	103.84	194.7	205.49	410.27	416.95	119.46	566.55	106.13	108.59	69.6	264.27	198.39	450.76	378.36	355.53	88.07	179.79	592.64	138.22	297.52	195.43	39.19	83.35	265.05	24.5	204.53	122.02	71.82	234.03
LPC(18:1)	1821.34	4830.77	613.21	1756.11	8192.1	9448.15	3361.49	3617.69	1323.54	2009.39	936.54	7589.99	2056.15	3335.23	2071.77	865.14	8088.55	1440.57	2037.1	1129.48	841.94	5473.69	4506.24	1900.09	3753.41	837.28	1735.95	4402.03	4963.85	2958.98	2001.88	3526.97	6161.05	1749.64	6711.53	3417.45	1276.56	1521.9	1793.74	807.87	1345.28	2594.77	1232.26	1180.53
PC(16:0/16:0)	688.51	1261.1	412.42	771.58	1608.64	1204.96	778.46	906.63	975.17	1449.12	167.64	763.73	886.82	1354.14	884.49	609.7	1528.13	1088.78	2497.62	1765.87	1000.01	1454.74	852.19	838.77	1324.33	704	1432.5	1183.12	855.22	877.86	512.61	589.5	1100.92	887.77	761.1	1326.4	500.28	159.17	1828.53	661.94	742.73	1378.32	605.7	640.63
PC(16:0/18:1)	1453.13	2651.27	928.11	2488.91	2537.68	1692.51	1437.3	1835.59	3078.27	4710.86	257.23	1048.98	1057.27	1659.91	3185.43	1569.57	2372.05	1586.64	3754.42	4469.06	3033.72	2482.73	1298.92	907.28	1596.1	1757.76	4210.17	1633.35	1090.11	1788.32	586.08	1200.91	2107.49	974.18	1622.08	1377.53	904.81	706.69	2194.02	1005.13	2420.87	1697.5	746.77	1860.72
PC(16:0e/18:1(9Z))	34.33	69.26	17.58	135.2	137.63	80.41	26.26	54.19	74.15	267.78	9.44	42.65	25.77	49.56	156.63	53.76	102.12	80.48	148.8	233.54	130.17	133.42	70.99	31.44	64.9	108.4	192.14	63.29	64.84	47.06	17.81	27.95	45.04	30.27	40.79	30.95	17.7	34.62	92.38	23.72	151.26	65.32	17.75	127.2
PC(18:0/18:0)	39.58	116.67	13.39	50.6	246.35	204.81	85.37	85.74	49.11	54.57	22.76	165.36	52.57	50.29	46.84	15.96	256.23	29.06	54.99	28.41	22.95	139.93	82.7	52.2	71.81	25.06	33.31	91.08	134.43	78.55	52.91	91.67	159.41	46.24	139.21	53.71	32.4	44.41	40.14	19.4	38.77	81.32	44.67	31.74
PC(18:0p/18:1(9Z))	2.82	9.94	1.16	30.13	3.67	4.53	1.31	3.06	3.07	78.56	0.53	1.61	2.37	0.97	16.78	6.9	7.96	19.07	22.57	20.02	40.66	9.45	17.96	3.7	9.06	8.64	53.25	7.28	3.14	1.55	0.81	0.84	3.19	0.51	2.63	4.7	1.12	2.55	14.32	1.16	16.28	9.71	0.52	14.36
PC(30:0)	199.32	324.1	230.1	351.93	56.97	37.42	166.38	205.02	748.67	704.12	7.16	54.11	197.12	246.98	793.79	268.73	70.81	313.4	911.65	2315.45	439.94	91.67	39.71	195.35	322.32	997.81	860.07	73.55	61.78	190.15	419.11	340.22	183.43	717.66	398.72	332.55	368.78	185.37	641.31	443.57	920.23	257.39	463.15	669.52
PC(31:0(OH))	1684.45	5245.6	693.7	2004.88	10190.95	9617.27	3653.42	3774.84	1783.16	1997.49	1036.13	2167.97	1870.51	2876.31	2101.25	263.35	11268.35	1514.36	2386.45	867.87	791.81	5638.69	4114.42	1939.95	3167.36	839.32	413.44	1345.96	4669.77	3017.74	2244	3401.84	6750.56	1662.99	6636.47	1069.27	1301.13	1792.38	2012.96	939.74	1525.66	3507.97	1694.9	1179.85
PC(31:0)	18.04	37.87	10.54	23.64	43.57	37.53	33.24	35.41	23.4	51.75	2.33	31.43	29.77	50.36	13.31	16.65	39.46	29.68	71	20.2	33	60.3	38.09	21.27	39.61	17.41	43.54	54.86	43.55	30.12	5.05	10.92	46.81	9.65	19.31	40.54	8.44	3	46.24	9.38	8.1	33.43	10.8	7.28
PC(32:1)	267.84	507.54	386.16	562.37	138.95	105.54	180.06	365.08	1187.4	1079.76	11.17	74.78	180.91	315.68	1650.62	501.56	150.42	442.24	1425.63	2768.37	891.47	167.13	101.69	243.78	455.32	1030.96	1488.01	112.61	171.24	269.35	552.15	467.87	288.59	1506.72	521.82	275.21	537.04	460.14	806.38	600.09	1780.69	375.33	1008.12	1019.57
PC(32:2)	17.07	31.95	46.17	30.18	2.07	2.08	5.18	23.84	120.51	71.1	0.31	0	14.05	12.32	164.39	33.12	0	17	91.02	365.26	59.03	2.89	0.66	15.54	23.84	96.94	100.19	3.03	1.27	12.47	185.55	24.72	25.43	149.06	52.07	21.69	112.99	51.08	45.03	77.83	228.66	20.39	73.45	128.75
PC(33:0)	10.84	43.66	5.17	13.27	13.38	13.38	13.51	15.01	14.74	24.95	1.25	12.36	31.64	24.46	9.55	6.33	13.66	11.7	46.17	18.93	15.2	31.21	31.82	19.36	18.58	5.37	16.25	43.69	21.48	36.32	4.02	2.19	26.31	4.86	2.89	20.01	3.12	1.35	17.14	7.04	10.2	22.16	5.93	6.66
PC(33:1)	23.89	52.33	25.32	36.9	9.04	30.79	41.13	48.63	57.02	79.13	3.51	26.03	20.6	39.98	35.2	25	16	33.63	96.82	57.3	45.99	38.87	12.65	17.23	31.02	11.42	69.42	27.62	26.48	46.18	3.7	26	57.01	18.06	18.72	37.55	13.48	8.63	47.73	12.27	21.12	48.07	12.99	17.32
PC(34:2)	454.98	926.71	268.41	1250.34	456.85	277.17	551.87	763.1	1002.21	2516.46	50.62	270.71	368.47	425.79	624.89	817.36	392.77	715.39	1832.87	819.85	1654.98	832.45	248.05	386.25	710.43	294.38	2439.28	534.71	280.29	492.24	316.53	414.03	770.43	295.56	595.53	527.11	432.13	162.68	951.67	272.62	643.21	757.25	222.77	382.67
PC(34:3)	14.86	24.82	24.11	44.39	4.14	4.24	18.41	33.32	56.04	66.66	0.69	2.35	14.28	13.8	98.2	52.66	4.48	11.84	67.95	56.24	95.67	20.8	4.04	26.88	30.32	42.15	156.83	11.41	1.96	14.72	27.9	43.22	36.48	48.28	69.28	19.61	51.34	15.32	34.32	53.06	56.04	32.32	46.82	29.97
PC(35:1)	14.15	47.83	9.13	30.05	29.04	12.54	21.22	25.1	30.4	41.68	2.18	2.59	21.38	27.8	3.21	10.24	38.25	16.21	54.56	16.56	35.73	18.34	26.44	18.54	24.46	10.74	33	34.37	20.64	35.4	1.77	12.03	46.83	0.75	8.27	23.8	1.65	2.53	17.86	1.13	1.83	27.78	0.8	3.44
PC(35:2)	21.9	17.99	9.34	24.51	6.18	7.72	16.79	18.52	27.03	57.62	1.2	4.73	9.6	6.2	7.68	5.01	4.91	15.25	18.37	18.36	32.43	18.29	10.07	7.87	9.28	0.89	47.64	12.99	12.39	2.44	0.78	2.84	16.6	0.72	5.61	8.01	3.18	1.91	15.87	3.21	6.64	15.3	1.4	3.8
PC(36:1)	123.12	216.37	39.41	284.35	517.36	287.77	139.96	145.46	477.69	559.39	47.88	123.45	107.87	123.99	306.94	112.57	461.18	166.37	280.81	695.91	262.33	548.77	290.83	94.15	145.49	346	398.62	296.56	197.4	171.88	20.29	77.34	194.09	47.63	113.94	92.73	47.27	69.17	181.06	42.76	305.24	163.04	30.57	282.77
PC(36:2)	396.8	710.31	241.02	931.42	890.72	605.11	469.61	558.06	763.54	1693.07	88.63	334	308.98	422.07	852.87	479.76	758.07	468.9	948.48	990.86	936.01	441.66	241.38	267.73	468.62	402.53	1351.76	587.38	388.46	516.15	115.42	343.3	749.41	195.03	466.62	389.84	226.83	196.49	565.5	232.86	664.4	544.02	161.47	494.84
PC(36:3)	168.8	345.37	43.55	485.89	219.48	133.24	196.22	274.29	217.8	953.37	24.11	129.61	130.02	126.72	177.86	275.81	245.01	236.33	488.05	203.7	564.07	338.78	116.41	131.08	211.13	72.73	875.91	187.76	106.11	181.27	37.89	119.1	280.33	68.24	182.33	197.5	65.97	52.11	292.65	72.2	248.89	265.04	52.57	149.94
PC(36:4)	21.81	48.96	8.63	90.28	22.15	15.74	43.96	58.95	37.02	204.2	2.32	23.17	21.16	19.06	21.14	55.5	13.03	21.61	84.7	20.75	116.7	38.78	15.49	23.98	36.59	2.63	196.62	32.31	14.17	32.24	13.22	25.84	51.23	13.97	40.7	48.98	12.57	8.79	51.13	12.11	35.24	49.44	3.81	7.9
PC(36:5)	10.03	16.93	7.2	9.7	6.89	2.99	4.03	20.14	30.97	19.33	1.51	10.78	3.41	3.48	3.83	7.94	2.35	4.02	17.48	5.63	14.3	12.28	1.1	0.84	4.56	1.19	18.25	11.21	3.88	9.37	1.1	4.27	4.64	2.82	3.94	5.14	5.35	0.73	5.63	6.14	1.32	4.35	1.43	0.71
PC(38:1)	6.92	8.48	1.76	14.1	2.7	1.5	4.57	1.31	7.58	19.38	0.4	2.7	7.41	5.68	8.33	6.33	2.92	11.43	12.87	19.36	19.02	4.04	1.1	4.92	7.03	7.16	16.4	1.99	2.79	12.99	0.7	2.33	3.61	0.72	1.59	6.2	3.37	3.25	7.91	2.97	8.06	8.63	2.3	7.61
PC(38:2)	16.59	32.85	7.11	40.96	45.48	21.8	32.85	26.19	47.92	75.78	2.92	2.99	21.78	19.77	63.29	16.24	34.33	14.22	50.13	69.61	44.44	49.06	16.61	15.03	32.75	32.1	69.3	12.47	2.13	31.15	5.93	15.68	40.29	4.31	25.14	16.92	17.27	16.15	25.42	9.31	43.53	17.99	8.72	41.05
PC(38:3)	48.02	72.44	33.37	55.03	193.91	128.9	51.34	50.27	79.06	113.35	19.86	67.03	37.41	39.55	70.65	35.7	147.25	40.83	90.14	66.35	68.1	58.14	31.6	25	38.42	25.86	101.7	78.17	79.94	63.73	8.38	24.4	155.75	18.33	71.12	37.88	20.81	19.41	44.5	37.94	42.27	46.95	26.9	31.9
PC(38:4)	87.62	138.36	33.78	98.51	140.95	47.24	83.76	156.79	108	157.12	9.09	61.79	36.81	46.06	44.41	108.44	109.19	47.76	120.25	44.19	162.26	85.15	103.23	34.08	75.7	15.8	225.53	69.44	40.38	81.5	9.26	48.86	94.96	11.1	84.59	60.68	28.75	15.18	62.04	42.92	26.29	82.47	21.72	18.31
PC(38:5)	89.41	175.2	32.19	26.85	254.42	149.08	68.7	92.4	171.89	47.83	20.34	99.41	30.54	32.84	24.9	33.03	183.46	13.14	74.5	21.81	50.89	306.49	86.6	10.96	62.34	8.46	69.95	240.69	123.38	97.16	5.85	34.28	73.82	2.02	69.94	35.27	15.83	7.94	23.04	24.92	14.81	47.04	10.97	10.49
PC(38:6)	14.7	13.09	4.4	10.27	23.83	14.3	11.95	18.17	20.97	26.53	1.9	9.16	7.18	4.23	3.57	6.2	28.23	1.12	21.24	1.08	12.69	61.33	19.28	3.57	18.61	0.64	25.34	34.39	13.04	9.47	0.92	1.44	13.07	0.99	4.34	5.9	0.69	0.6	6.79	4.32	1.21	10.4	1.03	0.81
PC(40:5)	20.45	19.41	14.89	5.61	56.14	26.78	13.37	10.66	46.23	9.77	4.1	13.22	3.06	3.28	9.22	8.27	14.59	4.25	8.65	6.19	8.7	55.79	26.95	0.86	4.33	2.1	16.98	34.91	10.05	15.52	0.65	7.44	3.76	0.9	13.56	11.16	2.93	0.51	2.26	8.55	2.28	7.55	0.75	1.3
PC(40:6)	4.18	1.69	0.82	12.17	66.99	41.98	5.26	2.24	2.95	14.47	6.09	30.93	5.13	2.67	1.52	3.1	38.7	4.03	11.13	2.89	9.4	86.88	44.87	1.27	6.71	1.01	8.34	52.12	37.61	3.12	2.41	2.33	2.57	2.63	6.07	4.4	1.36	2.38	0.87	0.82	3.22	6.52	0.62	2.05
PC(O-32:0)	51.69	102.33	31.83	341.57	190.81	144.48	46	61.74	109.13	665.93	14.52	76.01	69.78	170.38	263.57	129.49	131.73	325.57	524.72	741.6	243.91	205.49	125.52	129.78	175.86	307.21	475.74	127.51	96.47	61.56	46.85	59.93	59.18	145.91	55.21	100.17	46.56	39.9	440.45	55.96	265.55	143.61	56.42	269.07
PC(O-32:1)	13.93	15.15	5.72	36.98	13.1	8.67	8.68	12.38	9.37	73.81	0.75	8.44	3.14	11.46	24.22	17.85	8.94	22.31	37.2	7.44	41.96	8.49	3.36	7.45	12.66	20.54	57.74	4.47	6.25	7.59	3.68	3.84	32.54	4.58	2.41	3.2	4.15	4.91	24.17	3.39	11.37	6.65	2.73	5.31
PC(O-34:2)	10.06	18	5.76	68.39	17.07	9.01	7.74	16.89	14.02	186.25	0.41	9.09	6.9	19.15	32.04	32.51	10.62	55.89	103.05	58.77	75.49	54.88	29.14	20.36	19.05	25.8	142.17	24.48	17.22	17.05	1.61	13.37	23.24	11.49	10.06	17.79	8.72	17.55	62.51	8.12	53.66	25.51	1.17	33.33
PC(O-34:3)	17.12	47.41	6.97	6.73	74.64	113.27	36.31	39.22	21.94	6.13	10.05	77.06	21.66	12.43	22.55	8.2	59.03	19.3	18.45	9.44	9.29	34.32	40.88	16.98	18.78	10.36	3.83	38.75	59.85	29.05	14.78	34.6	64.26	16.95	32.97	37.13	14.32	22.76	19.51	9.82	18.21	13.34	3.62	11.03
PC(O-36:3)	6.34	10.86	2.22	35.85	3.83	5.57	2.43	7.41	2.99	61.93	1.27	1.47	5.02	6.71	15.55	29.98	6.88	14.2	29.94	16.03	38.95	28.01	19.87	8.79	14.76	10.37	48.52	9.03	2.01	9.31	0.9	9.39	2.16	0.53	3.14	7.05	3.69	4.03	16.86	1.67	10.74	6.05	0.91	9.5
PC(O-36:4)	21.68	42.76	1.92	24.08	99.82	98.24	12.47	21.62	3.55	48.49	7.36	54.43	6.7	17.86	18.4	24.12	105.98	13.53	37.43	13.64	29.2	317.66	175.42	2.23	17.88	15.4	32.08	165	97.99	21.65	0	3.55	6.05	0.84	2.39	8.96	1.88	3.44	12.16	2.13	6.47	3.03	0	7.97
PC(O-38:5)	16.95	24.88	3.44	12.71	124	69.59	4.54	23.19	8.67	33.51	5.65	21.22	4.89	15.43	7.16	18.14	76.46	5.58	18.78	6.87	23.42	175.49	97.24	4.29	18.09	2.56	28.02	96.98	52.17	31.19	3.14	5.43	19.21	1.86	15.74	8.66	1.5	0.66	3.16	2.85	5	5.92	2.87	4.69
PE(16:0/18:1)	65.36	61.08	147.5	176.68	19.81	31.47	65.55	78.42	362.73	348.67	7.46	7.78	72.26	142.28	743.72	104.39	75.21	132.96	376.64	1152.64	272.1	67.36	31.12	70.42	139.26	353.02	327.38	32.77	17.78	55.21	166.08	163.38	45.07	297.14	171.91	120.87	190.81	192.24	200.32	216.27	748.69	132.44	183.54	482.4
PE(34:0)	4840	14830.74	2092.18	6370.76	30533.2	27936.01	11224.18	11125.91	7001.55	6147.35	3215.27	19136.85	6161.14	7856.44	6369.11	2040.23	32989.45	3871.4	6068.12	3008.36	2556.53	16419.6	10935.77	6548.14	10118.06	2813.47	3976.89	13266.58	16131.73	9400.24	6580.02	10992.54	18317.14	5837.29	20766.28	9536.71	4653.41	5832.66	5469.12	3065.42	5175.82	10851.29	6366.22	3526.09
PE(34:2)	27.74	30.4	43.25	62.17	11.64	10.18	32.79	29.78	106.18	163.9	3.53	8.86	29.34	49.16	286.65	42.73	12.21	64.94	182.99	417.67	134.16	11.25	10.01	48	77.14	126.79	174.27	6.23	7.57	25.84	88.29	71.61	42.13	161.69	57.23	49.71	96.79	35.32	117.95	95.98	325.07	58.07	108.78	73.88
PE(36:4)	39.54	72.85	24.46	45.95	134.45	55.97	51.43	52.47	85.91	54.8	15.06	52.53	26.43	50.06	81.88	28.08	72.83	27.61	92.6	103.28	61.15	120.76	52.95	7.22	59.34	35.37	69.48	90.76	53.9	44.55	15.71	51.86	52.3	51.55	61.51	9.06	41.77	33.09	46.21	61.83	78.6	61.22	39.05	29.65
PE(38:4)	126.93	248.02	85.82	161.22	703.86	365.79	153.28	186.36	267.14	303.25	63.81	247.59	90.36	162.34	320.96	100.31	561.85	103.1	322.78	351.85	234.39	670.32	330.83	84.79	228.16	131.55	268.44	499.19	296.79	157.65	62.33	94.81	204.49	104.72	154.23	132.83	100.31	81	156.34	115.6	184.22	248.36	93.7	147.1
PE(O-16:0/22:6) or PE(P-18:0/20:5)	216.53	622.93	99.85	384.88	1212.6	1169.79	668.73	436.55	262.62	472.21	109.05	1417.66	327.15	413.79	294.95	227.2	1752.03	156.86	323.5	203.67	200.86	684.63	477.58	307.11	421.93	193.94	345.51	809.44	740.26	566.95	321.17	541.42	590.37	294.98	1221.82	751.08	202.85	322.94	220.1	141.06	275.16	535.94	197.98	162.01
PE(O-38:5) or PE(P-38:4)	58.48	127.71	68.57	65.27	199.56	156.59	80.99	91.51	209.99	65.85	18.6	85.26	39.82	57.63	129.86	36.6	149.25	31.41	99.64	175.31	63.52	93.84	214.21	28.05	65.99	56.92	99.64	278.07	136.32	72.57	34.84	90.2	113.26	46.91	113.51	67.53	40.7	29.33	47.46	77.95	69.62	79.34	50.43	41.75
SM(d16:1/18:1) or SM(d18:2/16:0)	314.89	788.34	71.18	341.2	501.92	228.06	317.67	283.99	126.39	477.35	17.94	231.73	250.86	242.95	250.11	264	559.25	180.03	563.17	311.2	276.08	350.43	267.65	201.02	514.35	210.36	489.58	603.29	69.24	340.29	340.66	29.95	435.97	325.81	0	456.89	204.8	45.01	382.03	142.03	292.37	316.83	189.93	114.22
SM(d18:0/16:0)	667.57	1323.3	1496.03	514.98	1154	454.52	1012.3	921.52	3136.5	1007.48	41.81	288.73	1078.5	1423.8	4177.3	520.22	1208.19	650.12	1426.82	3491.26	831.46	1358.28	1038.43	491.88	1012.71	1933.55	1075.83	738.45	448.31	555.19	1280.44	2008.7	1400.68	2263.73	1787.6	1691.55	1820.99	1546.81	995.74	1425.84	2835.95	825.47	1300.28	2442.71
SM(d18:1/24:0)	859.39	1928.17	412.25	1709.1	2224.91	1300.25	1196.46	1655.11	1233.64	2693.96	299.61	663.94	727.52	989.44	3922.32	406.56	3733.23	1413.42	2336.11	4322.54	1100.99	10291.61	5723.56	448.7	1131.21	2552.06	1052.88	1891.51	2542.31	1279.58	191.45	344.17	1943.83	528.83	468.86	717.06	373.04	544.48	1831.39	412.5	3647.68	1849.44	411.47	3395.11
SM(d32:1)	536.17	1043.08	298	425.45	346.79	35.55	433.44	784.71	1062.76	665.74	11.55	70.75	431.94	216.22	941.77	351.11	111.45	249.68	784.53	1137.13	313.45	780.35	127.2	170.36	610.16	592.94	491.01	344.87	55.86	511.49	578.25	404.87	546.41	830.43	425.35	601.98	571.41	337.76	504.38	380.91	780.85	388.74	342.36	436.28
SM(d34:1)	8249.99	18942.04	6517.68	7186.55	16758.89	11467	12804.52	15203.07	18467.45	11999.5	1691.88	9981.83	6259.4	6377.99	17433.05	6480.68	20497.94	7633.99	14862.98	29030.43	8603.6	23328.91	10005.33	5466.28	9020.37	14599.7	12486.85	16048.09	11367.95	10680.16	9049.89	10767.01	16947.02	11063.6	12599.93	11336.59	7877.08	5325.68	10671.44	8976.91	16401.65	9408.8	8083.81	11419.07
SM(d35:1)	1198.83	4114.21	338.65	1033.86	4823.42	4126.07	2473.16	2573.9	943.51	1404.67	484.75	5520.77	1417.27	1133.45	1036.28	629.84	5388.07	802.59	1620.39	812.27	607.52	4219.35	1953.13	1556.21	1796.22	735.09	1082.65	3331.44	3561.8	2059.08	1619.26	2098.46	4598.77	1209.7	2941.87	2523.08	1035.5	936.46	1609.49	589.93	1049.65	1774.5	772.29	752.31
SM(d36:1)	290.49	753.76	178.48	101.16	1876.96	1084.43	623.97	432.96	334.89	436.34	104.84	452.62	246.71	254.08	716.31	135.73	1779.31	134.53	390.31	1334.58	231.62	1081.52	849.67	236.29	299.76	544.15	270.23	581.44	964.6	547.88	214.99	319.5	737.22	292.4	341.97	422.14	264.64	329.01	310.56	197.34	743.42	510.05	290.41	508.3
SM(d40:1)	362.66	116.2	319.27	389.67	1133.02	430.5	735.43	550.34	1131.7	562.25	140.34	384.87	339.7	399.1	1956.01	169.08	947.18	270.6	489.3	3209.01	338.78	3335.19	1026.99	316.86	498.46	1348.72	329.23	849.9	1023.69	451.95	175.06	221.76	1001	394.24	381.17	466.1	250.51	364.1	440.26	424.24	2010.98	929.1	546.86	1658.29
SM(d42:1)	151.68	210.09	184.92	284.8	69.1	84.76	411.09	124.76	835.12	67.74	60.03	74.24	184.14	122	1597.84	138.36	477.82	62.48	86.28	342.31	172.98	312.59	283.92	145.31	68.29	208.63	206.17	178.57	150.97	99.67	81.4	120.21	202.51	131.23	307.18	120.82	345.06	468.66	146.06	305.33	594.67	314.35	235.42	566.82
SM(d42:2)	44.22	30.92	75.75	16.09	49.73	0	56.65	90.97	387.81	19.36	10.06	56.01	23.96	26.95	82.17	32.05	79.21	31.68	29.52	252.05	11.89	91.71	33.4	16.47	67.04	102.64	56.53	20.42	76.14	58.44	28.42	27.05	99.66	37.19	37.58	79.32	185.66	12.83	30.39	103.51	255.3	28.45	106.58	47.35
SM(d42:3)	704.82	840.02	1120.05	433.64	1410.86	950.72	1253.76	932.25	3814.74	1056.23	181.69	548.29	721.33	675.95	2097.65	293.12	2484.63	566.01	629.03	2382.52	910.88	1973.52	1283.08	340.77	490.41	1113.73	1067.34	1013.54	1233.39	905.09	616.78	1185.78	1440.33	532.33	1292.22	752.88	521.72	473.38	675.73	1192.21	1335.29	1213.43	948.75	1130.67
TG(14:0/16:0/18:1)	52.54	118.52	17.52	633.38	118.05	94.56	77.64	125.57	60.97	1428.03	10.8	27.92	11.4	74.03	1405.97	193.43	50.38	71.98	262.05	838.32	612.25	73.05	36.91	20.2	37.51	394.93	644.68	20.67	25	53.54	48.74	62.1	230.88	276.42	142.57	30.04	159.64	441.38	124.38	23.01	576.49	23.32	43.92	379.78
TG(14:0/18:1/18:1)	96.7	267.63	29.11	1346.29	96.1	98.05	148.86	310.56	93.89	2860.86	14.8	83.59	39.5	100.22	1381.98	391.25	163.68	87.23	313.82	762.98	1302.04	106.18	55.94	35.17	70.31	353.05	1304	62.93	54.95	127.26	58.89	107.82	346.69	266.51	185.89	59.97	191.79	420.04	133.45	34.74	592.35	46.71	49.38	391.74
TG(14:0/18:2/18:2)	2.58	11.48	2.55	93.01	7.35	3.55	18.33	71.39	11.9	235.97	0.45	0	1.52	3.43	87.71	17.83	6.04	4.01	30.49	56.63	100.24	2.58	1.58	2.4	1.37	16.35	88.5	1.82	2	7.9	1.22	1.65	22.12	27.49	7.6	1.4	16.08	31.49	8.99	4.63	34.91	1.39	3.98	23.05
TG(16:0/16:0/12:0)	18.31	69.5	9.22	52.34	102.14	74.4	51.26	36.1	49.68	127.51	13.09	19.61	25.58	46.86	178.33	16.51	120.62	55.62	85.35	151.83	43.31	39.98	53.75	33.15	36.05	74.8	52.76	24.3	36.06	25.15	33.67	54.02	128.26	47.08	48.92	14.66	33.59	57.35	71.72	10.13	82.36	36.8	24.67	71.46
TG(16:0/16:0/16:0)	60.73	191.61	25.45	288.8	290.55	279.35	125.04	147.09	62.69	658.4	27.2	163.96	73.31	146.93	653.25	114.63	291.43	115.4	245.69	382.03	272.81	183.89	134.19	73.27	111.57	197.87	333.13	127.81	183.31	121.97	81.21	110.68	282.29	107.86	184.99	76.98	107.91	207.07	231.32	34.37	275.36	86.26	56.86	232.14
TG(16:0/18:0/18:1)	43.65	134.54	10.86	727.86	81.09	143.42	49.7	101.22	52.59	1526.22	11.2	47.07	30.01	50.35	342.84	229.84	116.87	64.18	140.35	285.47	584.43	63.1	37.38	22.16	40.93	158.17	582.67	41.41	76.22	76.61	34.5	76.92	165.53	29.34	76.38	48.6	32.74	98	84.1	12.66	163.37	48.81	21.66	130.85
TG(16:0/18:2/12:0)	6.78	7.35	5.62	68.96	19.18	23.34	9.75	22.26	16.52	142.04	2.11	5.29	5.24	18.15	228.53	12.13	10.19	20.44	44.58	158.8	44.4	5.35	8.6	9.41	2.23	71.34	55.09	1.87	15.7	16.07	21.13	3.3	113.74	119.59	9.64	1.64	32.32	77.21	22.95	6.19	119.53	4.25	6.8	74.16
TG(16:0/18:2/18:2)	69.04	238.28	21.42	631.25	97.17	137.59	158.81	379.08	87.26	1348.89	11.13	72.74	32.21	56.83	216.54	198.67	107.33	29.98	143.15	114.36	680.03	64.03	46.53	25.59	44.33	53.17	600.61	49.79	60.89	127.44	34.92	59.65	331.52	58.16	145.46	28.49	56.41	81.97	48.62	21.95	111.81	41.31	16.77	69.62
TG(16:0/18:2/18:3)	62.63	165.32	19.14	186	278.5	187.62	136.74	138.51	55.12	332.81	23.66	36.31	59.49	58.76	34.42	53.78	309.73	45.71	75.8	27.98	213.93	48.2	117.73	52.44	30.62	23.88	103.02	7.25	62.55	76.56	36.99	119.68	152.3	43.28	119.8	20.92	37.23	51.68	55.18	19.79	59.11	78.42	17.93	33.66
TG(16:0/18:2/22:6)	1.62	16.76	0.87	48.49	0	4.55	26.81	50.32	6.38	82.2	0.21	0	0.54	1	3.27	2.03	0	0.85	2.86	0.35	38.17	1.97	2.85	0.44	0.93	0	25.07	2.59	1.27	7.68	0.87	1.38	12.81	0	2.6	0.85	0.5	0.38	1.42	0.46	0.59	0.86	0.36	0.31
TG(16:0/22:5/18:1) or TG(20:4/18:1/18:1)	46.43	265.17	13.07	351.43	3.68	4.64	134.39	368.4	82.69	656.62	0.67	2.15	2.34	15.28	34.53	136.24	2.98	5.85	24.48	8.75	428.55	6.25	16.28	2.58	13.3	3.43	362.02	2.02	7.67	90.73	2.77	29.49	214.32	1.92	117.46	1.97	10.44	5.91	2.25	6.42	14.86	5.45	1.08	1.64
TG(16:1/18:1/12:0)	21.54	38.4	8.52	200.36	39.52	60.76	35.98	30.95	33.54	407.7	5.23	20.46	17.88	28.93	643.86	50.74	54.79	38.28	96.98	443.28	152.93	30.12	24.98	8.74	19.89	209.54	164	31.8	35.65	35.54	39.75	27.25	132.97	192.19	56.81	4.67	79.22	207.46	57.04	13.61	296.66	10.79	23.23	203.54
TG(18:0/18:0/18:0)	92.83	320.05	40.91	98.62	484.19	615	196.8	235.1	84.28	119.82	50.93	201.95	128.02	170.92	103.1	27.6	507.63	81.31	135.98	54.87	39.32	337.17	233.23	101.16	152.94	48.9	38.95	165.09	260.22	167.81	125.86	183.66	363.14	80.37	267	104.56	76.09	87.86	114.77	41.83	72.03	148.7	68.68	65.68
TG(18:0/18:1/20:4)	44.62	55.67	12.44	135.92	11.88	9.18	78.68	145.29	52.44	292.97	0.78	4.03	4.04	2.07	35.84	29.96	9.69	7.93	25.43	12.95	131.55	14.51	17.03	4.5	15.68	14.08	112.22	3.56	3.73	82.59	0.93	17.75	134.02	2.94	79.44	1.39	12.38	3.77	5.1	1.98	5.95	5.77	3.76	12.11
TG(18:1/12:0/18:1) or TG(18:2/16:0/14:0)	21.06	125.8	12.34	385.14	52.56	77.31	75.61	93.99	42.5	797.09	5.12	37.27	19.61	44.56	914.1	104.36	70.38	29.7	125.42	537.03	342.25	15.31	26.79	28.25	26.67	227.61	342.18	10.02	39.66	55.64	34.87	20.22	229.7	314.12	101.01	4.09	139.97	303.99	51.71	22.34	440.42	22.35	31.78	267.4
TG(18:1/18:1/16:0)	284.62	789.92	77.08	2907.98	613.8	754.31	430.11	747.56	247.81	5612.81	64.37	370.46	188.71	318.42	1249.93	763.52	728.35	215.52	522.59	707.03	2497.59	487.93	308.39	168.46	265.82	382.39	2575.84	246.74	330.62	414.35	165.68	366.78	950.04	234.37	629.88	213.44	245.61	404.6	286.44	85.87	542.35	252.93	106.92	384.15
TG(18:1/18:1/18:1)	346.4	992.09	106.62	1701.99	1095.09	1243.4	603.07	903.04	293.88	3067.9	119.55	625.81	300.86	395.12	575.33	484.96	1236.46	245.38	477.68	329.28	1419.38	793.76	529.47	261.18	389.58	213.36	1471.99	444.73	649.85	571.97	290.58	541	1396.14	251.61	887.46	295.77	233.63	292.3	288.85	124.41	317.86	406.56	177.73	239.92
TG(18:1/18:1/22:6)	8.07	42.73	3.61	33.66	2.32	0	49.62	66.14	21.52	92.15	0	2.13	0	0.98	0.65	16.28	0	0.79	1.26	1.12	47.35	2.49	1.88	0	0	0.28	41.03	1.23	0	40.62	0	0	46.67	0	5.9	0	0.43	0	0.67	0.97	0.48	0.88	0	0.3
TG(18:1/18:2/18:2)	148.41	502.92	51.35	684.97	378.93	425.78	401.47	708.55	233.65	1207.69	39.81	165.05	102.12	169.3	139.5	212.46	432.68	83.96	180.25	82.04	674.74	220.32	196.68	77.56	169.66	51.13	561.08	129.72	223.61	299.37	107.6	199.75	607.75	81.99	450.21	87.38	91.98	100.25	100.52	51.61	98.7	160.38	51.23	81.76
TG(18:2/18:1/16:0)	181.12	550.09	43.04	2064.9	214.49	253.55	318.49	685.92	139.06	4252.3	21.14	169.43	58.59	153.83	748.27	579.9	204.13	99.89	344.05	405.56	2021.37	146.87	120.7	63.77	134.66	195.26	1944.68	109.01	117.01	266.56	61.85	178.69	656.99	163.01	372.63	64.11	149.43	258.87	130.11	38.73	345.92	114.62	45.31	233.68
TG(18:2/18:1/18:1)	228.53	696.04	57.69	1364.05	459.01	452.7	462.27	874.11	198.35	2718.15	39.09	189.6	108.46	190.4	313.11	481.93	437.66	99.87	266.28	163.78	1485.34	238.63	217.97	101.79	197.22	92.73	1335.91	159.45	216.17	428.63	107	239.75	900.22	104.4	482.96	79.74	114.55	118.09	138.49	64.34	154.42	179.06	66.95	89.96
TG(18:2/18:2/18:2) or TG(18:3/18:2/18:1)	32.29	108.31	13.15	150	149.8	110.64	82.73	362.18	76.98	271.87	14.59	44.04	41.64	44.58	37.74	41.09	186.83	25.35	36.91	23.27	301.46	80.25	71.32	43.65	56.02	16.79	226.52	38.41	84.16	76.38	44.04	92.98	198.57	34.01	101.01	32.3	27.29	28.43	34.97	16.47	33.38	52.51	20.33	16.49
TG(18:2/22:5/16:0)	48.47	174.51	6.6	160.28	4.11	7.01	103.13	90.9	24.68	103.55	0.32	5.94	1.65	4.01	12.16	53.94	5.23	0.85	11.62	0.93	73.62	6.46	7.81	2.92	2.55	1.19	51.88	4.85	3.3	84.9	0.79	7.57	165.04	3.25	56.8	3.05	1.34	1.93	5.27	2.98	2.18	2.45	0.64	0.6
TG(46:0)	31.64	156.05	14.76	144.39	150.05	276.26	112.17	73.33	44.27	327.49	16.53	65.17	36.59	71.2	464.84	48.73	248.45	66	131.12	300.7	124.33	87.27	113.21	35.68	51.76	160.47	143.73	46.45	75.24	63.38	64.31	65.08	151.64	87.99	98.55	42.92	64.11	135.82	116.04	19.3	196.96	47.15	34.22	159.92
TG(47:0)	35.83	53.03	15.12	31.77	138.14	126.49	67.92	39.93	24.17	26.96	18.44	18.78	22.01	57.05	18.64	6.19	87.21	18.75	29.15	19.55	19.98	107.75	51.47	43.42	50.96	11.77	24.32	26.95	60.41	31.44	42.22	38.41	111.93	18.55	54.86	18.41	17.44	19.98	42.03	17.2	27.36	46.12	25	24.59
TG(47:1)	9.38	6.71	4.35	12.22	14.99	39.32	32.78	28.14	13.95	46.1	3.93	22.91	11.67	14.29	25.31	5.94	32.01	15.97	17.66	16.9	13.15	14.84	30.62	8.64	6.18	8.71	18.87	21.47	18.44	4.85	11.12	15.55	96.25	16.98	14.96	5.68	5.77	10.71	12.53	4.21	5.72	14.52	5.62	8.41
TG(48:0)	32.1	106.64	12.2	107.47	107.88	113	63.03	65.76	18.62	222.62	14.06	67.52	37.57	49.64	246.63	40.04	116.39	47.27	90.26	135.21	96	78.28	51.21	25.61	49.78	73.81	131.46	56.53	77.57	57.65	31.04	59.77	112.23	36.48	81.19	30.02	37.5	78.52	88.47	16.85	107.01	32.42	18.84	87.62
TG(48:1)	20.01	46.37	8.41	261.16	27.14	28.25	25.24	61.96	28.17	499.68	0.54	7.43	6.91	39.91	550.24	70.55	55.77	31.4	99.08	313.37	208.56	4.77	17.24	13.11	31.33	171.43	251.48	13.66	16.12	38.11	13.23	19.98	87.85	123.25	45.09	18.35	68.38	191.39	54.31	11.21	230.81	6.68	17.4	161.41
TG(48:3)	10.45	24.39	1.48	76.65	16.75	6.94	3.19	35.77	18.92	183.99	0.35	4.74	3.76	12.42	168.32	19.24	12.94	14.51	32.19	101.76	73.65	2.19	4.17	1.16	5.22	38.75	72.41	4.67	4.13	13.69	10.73	10.64	63.87	86.66	18.56	2.84	23.17	51.82	16.21	8.16	82.53	6.16	5.55	53.05
TG(49:0)	31.93	47.64	4.28	16.98	67.17	147.15	48.26	33.15	15.44	29.57	6.93	36.67	33.74	30.1	19.17	13.04	78.16	29.17	34.43	10.66	9.04	58.74	49.56	16.83	26.93	6.68	27.28	28.15	39.83	22.15	17.64	50.01	125.05	9.47	51.75	20.77	12.87	13.31	23.75	7.73	14.13	23.72	8.34	17.67
TG(49:1)	15.05	37.26	2.23	77.05	10.23	29.54	29.68	29.97	5.05	100.76	1.82	3.89	11.07	20.46	34.11	10.03	44.52	16.38	26.3	11.85	55.59	18.15	16.17	7.08	11.19	6.58	47.72	4.36	18.62	23.21	5.14	29.57	90.17	10.15	12.72	9.99	9.11	9.08	18.95	4.87	16.1	8.64	5.52	8.79
TG(49:2)	7.5	5.26	2.27	38.09	31.07	29.45	17.21	22.81	6.46	78.65	0.89	19.64	2.47	8.93	14.94	10.6	5.25	10.83	28.11	10.52	28.97	3.39	8.99	15.72	9.6	5.13	21.56	2.88	13.54	20.16	1.88	7.4	69.76	5.67	8.86	3	9.03	5.43	5.03	5.73	14.11	3.41	2.79	6.89
TG(50:0)	58.79	170.72	23.15	203.52	236.68	274.8	107.9	122.66	53.95	396.12	28.79	164.8	69.49	98.22	268.25	87.68	262.45	83.14	131.13	202	142.56	173.08	122.93	69.61	91.35	123.42	184.05	114.22	128.15	115.66	69.78	115.57	214.95	59.37	188.38	66.81	58	93.53	142.22	21.51	150.27	86.11	39.55	124.37
TG(50:1)	122.23	328.76	35.69	1550.15	229.28	252.02	155.68	279.26	107.13	3374.65	25.89	137.3	63.67	155.25	1371.54	471.85	235.64	156.33	448.61	768.71	1524.77	146.8	105.68	72.28	122.01	389.52	1540.51	119.56	130.88	169.94	75.88	143.9	396.09	175.17	253.29	77.32	167.73	406.27	244.32	35.65	520.05	88.77	56.65	386.16
TG(50:2)	34.93	103.9	8.37	543.48	53.84	62.27	62.04	111.64	35.34	1043.29	6.84	49.15	20.34	58.95	585.03	132.91	71.48	37.59	135.59	307.61	413.65	39.37	37.16	22.12	37.54	157.42	493.48	28.31	46.21	66.52	28.88	59.04	131.4	120.64	67.98	19.37	78.74	179.83	55.91	17.2	253.26	34.5	23.71	172.32
TG(50:3)	11.64	61.27	5.02	224.67	3.35	10.86	17.17	88.44	20.63	443.67	0.57	2.65	4.44	11.47	226.88	58.8	11.57	13.84	53.19	122.48	194.48	3.04	1.35	2.47	7.6	51.04	213.13	3.59	1.77	16.09	8.21	13.84	92.26	66.84	27.1	2.65	28.73	65.67	15.24	5.25	109.58	8.58	11.15	65.81
TG(51:1)	3.3	3.95	0.93	75.43	12.06	6.17	3.21	26.03	4.59	154.98	0.38	1.98	6.82	7.3	11.94	20.4	12.57	11.13	19.24	11.96	33.44	4.88	7.38	1.84	3.93	2.54	25.26	3.76	10.03	4	2.33	5.86	31.81	1.6	9.96	3.05	3.7	6.92	6.19	2.04	9.14	2.21	1.95	1.26
TG(51:2)	0.64	3.2	0.32	42.95	3.56	3.41	1.44	8.5	1.07	82.21	0	0	1.08	1.42	6.05	8.77	2.87	5.74	7.85	4.44	27.62	1.74	1.13	0.51	1.34	2.19	20.54	1.3	1.28	0.97	1.49	1.16	13.15	2.65	4.75	1.22	0.61	3.11	0.8	0.94	2.22	2.25	0.36	2.51
TG(51:3)	3.08	3.48	0.25	36.22	4.82	3.5	8.89	23.05	5.23	91.68	0.33	4.21	0.81	4.87	1.34	5.73	4.9	1.16	10.86	7.53	38.63	2.89	2.43	1.5	3.17	0.6	23.54	1.36	1.78	5.67	0.81	4.64	23.03	2.1	2.21	0	1.88	2.31	2.68	0.67	2.08	1.28	0.76	1.49
TG(52:0)	69.24	178.46	26.91	98.53	331.35	341.82	127.23	157.09	61.56	135.7	32.37	149.86	83.89	110.04	90.13	29.73	324.95	60.19	104.17	70.49	46.82	230.43	146.89	70.74	103.55	54.2	53.96	118.4	194.94	112.61	85.71	125.67	235.74	65.26	126.95	68.21	52.9	61.27	90.03	28.56	69.54	109.84	48.25	57.21
TG(52:2)	90.12	240.13	24.23	907.13	207.79	256.69	173.71	257.84	75.14	1570.58	24.33	156.66	63.17	94.69	443.98	207.79	232.43	71.9	172.26	236.93	645.29	162.16	99.33	66.13	92.02	133.64	795.83	120.07	136.68	153.54	52.95	131.54	347.61	81.68	206.91	84.53	79.11	141.58	102.97	32.33	190.54	90.66	36.07	133.86
TG(52:3)	65.7	190.41	15.33	724.65	119.78	145.06	129.59	264.25	64.67	1378.18	9.74	92.98	35.19	52.9	297.14	183.69	118.44	40.21	138.51	169.01	588.43	57.79	60.15	26.95	54.3	80.94	671.75	70.72	74.96	121.11	29.31	62.69	240.78	70.5	115.63	44.2	60.89	102.57	66.36	16.88	142.88	38.95	22.58	94.53
TG(52:4)	23.03	142.38	9.4	286.94	50.02	24.28	70.52	180.26	33.53	593.13	5.16	63.98	15.63	24.52	104.2	92.24	52.13	18.35	40.15	53.4	279.62	26.33	31.1	22.34	26.19	17.15	299.82	42.27	36.83	50.02	8.47	39.77	134.99	19.78	79.22	32.72	18.83	29.57	20.98	7.49	43.35	5.38	11.69	27.1
TG(52:5)	8.41	41.26	4	138.05	16.28	57.9	62.26	48.8	3.19	256.3	1.1	7.94	3.45	4.22	46.13	34.66	10.83	11.75	60.99	26.81	134.45	6.75	6.22	3.34	10.86	19.53	128.25	3.28	13.46	5.78	3.56	33.71	52.25	12.43	27.53	7.27	4.45	8.71	8.54	2.02	10.28	6.39	1.54	14.06
TG(52:6)	0.83	5	1.27	21	3.02	0	13.02	20.89	3.45	23.1	0.87	3.01	0.84	3.74	5.59	7.65	3.08	0.76	1.46	1.66	37.29	3.83	1.14	1.8	3.44	1.11	25.5	1.73	6.22	5.86	1.1	2.46	7.02	1.3	2.99	1.07	1.36	2.33	1.37	1.33	1.15	1.06	0.62	0.63
TG(53:2)	3.25	14.66	0.81	59.53	3.56	3.11	4.35	3.04	0.88	116	0	2.82	0.82	1.22	8.67	14.37	7.22	1.11	8.9	7.08	37.62	3.05	2.45	1.86	4.75	2.14	28.05	1.62	1.55	5.39	0.74	2.66	15.01	0.76	5.3	2.4	0.97	2.14	3.32	0.45	1.03	0.86	1.47	3.42
TG(53:3)	6.1	30.79	0.42	57.53	5.6	3.51	4.28	44	1.7	124.15	1.36	0	1.36	1.52	8.88	14.69	3.15	2.06	17.5	6.48	51.97	2.52	3.21	0.92	1.41	0.72	44.53	2.18	1.71	4.62	1.29	1.24	27.03	0.99	4.89	1.17	1.26	1.03	1.37	0.49	2.3	1.41	0.4	3.42
TG(53:4)	2.11	21.33	0.54	17.94	3.55	3.84	1.75	29.31	3.24	69.14	0.37	2.56	0.84	1.37	1.56	12.5	2.37	1.09	3.7	3.77	31.8	5.36	1.32	1	0.86	1.61	14.9	0	1.78	3.47	1.4	1.59	8.52	0.6	2.27	0	0.58	0.72	2.88	0.86	1.34	0.97	1	0.41
TG(54:1)	11.13	23.44	6.28	106.47	57.7	15.63	28.88	29.35	20.34	216.73	3.64	31.95	14.51	13.19	58.39	34.08	22.56	21.29	33.08	45.77	77.06	44.03	11.06	12.16	9.15	29.4	78.09	10.67	28.43	35.92	8.71	23.47	83.58	12.08	49.02	13.81	14.09	22.16	32.46	3.31	30.36	12.89	3.46	18.28
TG(54:2)	28.15	60.64	6.23	262.36	62.94	81.15	45.74	53.31	22.42	514.98	6.61	55.61	22.28	26.92	91.78	91.08	97.04	22.21	28.62	66.28	209.33	58.1	37.42	19.17	18.84	38.22	242.24	32.45	37.41	57.11	14.01	34.16	56.65	16.99	64.61	28.36	15.42	28.46	29.32	7.94	37.65	24.29	3.68	27.04
TG(54:3)	138.67	332.86	41.96	650.2	462.06	550.28	213.06	328.01	121.7	1142.19	49.13	321.83	127.2	159.28	245.75	166.79	464.35	91.98	181.38	136.4	499.23	337.69	199.71	109.95	157.32	89.1	631.42	219.59	277.65	248.68	118.28	215.71	524.49	90.13	356.58	163.36	88.5	101.33	121.16	45.91	124.45	137.22	66.35	97.03
TG(54:4)	99.54	297.27	22.15	597.96	228.89	292.59	226.01	379.08	93	1169.56	17.56	129.28	51.48	67.06	125.3	199.94	192.06	43.23	115.47	32.97	554.97	158.93	82.64	49.95	83.5	44.77	648.2	115.62	97.88	202.2	42.97	102.52	444.03	56.28	248.59	41.05	45.49	54.98	59.86	28.69	67.71	71.75	31.41	43.05
TG(54:5)	36.06	257.45	23.01	311.81	231.52	270.13	248.42	329.58	91.28	627.06	23.97	171.13	48.09	80.82	75.04	100.98	237.89	45.71	75.63	47.05	345.82	112.12	77.2	54.5	57.69	25.03	319.03	82.05	142.61	162.31	50.03	121.32	422.12	47.34	224.5	62.66	36.84	45.5	60.21	33.5	46.05	76.95	25.8	22.7
TG(54:6)	8.16	57.98	7.13	72.88	96.58	87.14	75.92	67.59	40.45	126.87	14.08	58.47	34.05	35.57	23.61	20.81	108.41	7.55	24.26	11.27	179.67	32.57	33.4	32.76	42.72	11.65	114.06	49.23	83.84	42.68	31.5	57.15	174.91	19.2	72.28	20.3	19.18	18.95	22.71	15.37	16.11	30.2	9.3	11.54
TG(56:2)	12.05	30.39	0.75	82.58	4.32	4.64	8.98	6.31	6.45	200.44	1.85	5.11	1.12	9.67	33.06	38.66	11.29	9.3	17.38	28.8	78.65	5.52	3.24	5.21	5.41	11.74	94.2	6.36	9.15	3.17	0	3.46	34.11	2.34	12.01	2.44	1.89	7.67	10.31	0.87	17.04	2.93	2.09	16.33
TG(56:3)	18.56	43.47	5.94	214.86	32.95	52.48	38.04	44.25	15.04	411.82	1.38	4.56	2.69	20.36	54.72	76.07	21.58	6.67	37.45	26.55	194.74	10.88	10.13	3.58	14.01	11.68	190.84	13.85	11.91	27.99	10.74	18.78	83.26	10.79	60.87	6.87	8.64	19.88	12.56	4.3	26.15	6.81	5.22	16.18
TG(56:4)	59.93	150.71	11.95	444.24	22	5.16	87.99	141.24	32.16	897.69	2.04	8.38	8.48	2.99	68.24	149.41	8.31	13.58	25.77	40.49	500.4	3.46	2.37	3.46	12.97	8.83	485.03	6.63	2.71	72.05	1.26	8.64	148.62	5.15	51.56	1.75	8.3	6.73	10.56	8.3	19.05	9.55	5	13.64
TG(56:5)	88.88	224.7	19.69	478.08	20.39	28.09	187.53	312	140.81	858.89	3.11	6.92	3.02	32.4	35.39	179.39	9.24	5.85	34.89	19.76	559.57	11.52	9.63	8.64	42.21	10.94	506.11	4.18	10.26	162.65	4.3	69.32	281.7	14.38	115.46	3.42	22.44	15.03	23.42	11.36	11.01	15.34	6.13	13.96
TG(56:6)	13.52	47.14	4.41	186.59	2.91	6.02	42.75	223.19	31.72	223.69	0	0	1.07	3.05	17.34	80.74	2.81	0.89	5.61	2.34	219.68	3.25	4.33	0.73	4.1	0.59	147.06	1.36	2.68	91.39	0	7.99	83.2	2.51	25.03	1.29	1.35	1.75	2.31	3.85	2.54	3.1	0.58	0.61
TG(58:6)	43.9	85.3	6.4	143.46	0	3.07	57.9	82.28	33.01	268.47	0.29	0	1.08	2.18	5.61	56.5	3.17	0.69	8.33	1.24	184.67	1.71	4.37	0.64	3.8	0.47	161.56	1.35	1.83	74.79	0.71	1.86	105.34	0.69	26.17	1.12	3.05	0.75	1.66	6.41	1.48	11.86	0.49	0.42
TG(58:9)	0.93	11.76	0.28	33.37	2.76	5.66	5.38	29.72	4.55	45.54	0	0	0.68	0.8	0.51	4.11	0	0	1.04	0.28	37.55	6.26	2.14	0.59	1.15	0	17.73	0	1.31	4.42	0	1.07	23.77	0.49	3.31	0	0.39	0	0.68	0.23	0	0.73	0	0.32
TG(O-50:1) or TG(P-50:0)	0.76	2.21	0	89.37	0	0	1.18	0	0.81	165.1	0	0	0	1.39	87.04	22.87	0	1.83	11.5	67.26	53.26	0	1.26	0.64	0	24.84	69.34	0	0	0	0.65	0	1.83	1.88	0	0	3.1	16.98	4.54	0.27	21.12	0	0.39	30.94
TG(O-52:2) or TG(P-52:1)	0	1.97	0.23	33.49	0	2.53	0	1.47	0.79	78.41	0	0	0	0	20.42	10.24	0	0.37	1.8	11.31	29.58	0	1.15	0	0	5.14	29.82	1.52	0	0.8	0	1.34	1.65	0	2.68	0	0	2.76	1.84	0	6.89	0	0	5.23
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	quantitated m/z	RT (minutes)	PubChem ID	KEGG ID
CE(16:0)	369.3511757	9.31
CE(18:1)	369.350092	9.16
CE(18:2)	369.3502212	8.77
Cer(d18:1/16:0)	520.5081288	6.48
Cer(d18:1/24:0)	650.6433747	7.93
Cer(d18:1/24:1)	648.6274	7.55
Cer(d35:1)	534.5239244	6.7
Cer(d42:1)	632.6325885	7.93
LacCer(d18:1/16:0)	862.6240905	5.99
LPC(16:0)	496.3393953	3.23
LPC(16:0e)	482.3605909	3.46
LPC(18:0)	524.3700688	3.7
LPC(18:1)	522.3543706	3.2
PC(16:0/16:0)	734.5681568	6.46
PC(16:0/18:1)	760.5839876	6.44
PC(16:0e/18:1(9Z))	746.6045999	6.71
PC(18:0/18:0)	790.6297916	7.25
PC(18:0p/18:1(9Z))	772.6190176	6.72
PC(30:0)	706.5374421	5.98
PC(31:0(OH))	736.5419043	6.22
PC(31:0)	720.5532228	6.23
PC(32:1)	732.5526166	5.99
PC(32:2)	730.537036	5.56
PC(33:0)	748.5835898	6.61
PC(33:1)	746.5656202	6.22
PC(34:2)	758.5685023	6.04
PC(34:3)	756.5531395	5.57
PC(35:1)	774.5989406	6.64
PC(35:2)	772.5834189	6.22
PC(36:1)	788.6130258	6.85
PC(36:2)	786.5993594	6.43
PC(36:3)	784.582836	6.03
PC(36:4)	782.5674609	5.64
PC(36:5)	780.551818	5.53
PC(38:1)	816.6453526	7.19
PC(38:2)	814.629942	6.81
PC(38:3)	812.6149907	6.46
PC(38:4)	810.5985893	6.12
PC(38:5)	808.5831581	5.9
PC(38:6)	806.5680835	5.5
PC(40:5)	836.6133266	6.24
PC(40:6)	834.5992768	6.2
PC(O-32:0)	720.5899998	6.75
PC(O-32:1)	718.5768493	6.65
PC(O-34:2)	744.5882618	6.33
PC(O-34:3)	742.5759441	6.31
PC(O-36:3)	770.6034344	6.4
PC(O-36:4)	768.5866952	6.2
PC(O-38:5)	794.6039473	6.18
PE(16:0/18:1)	718.5377644	6.56
PE(34:0)	720.5533119	6.99
PE(34:2)	716.5227648	6.15
PE(36:4)	740.5260094	6.03
PE(38:4)	768.5531593	6.47
PE(O-16:0/22:6) or PE(P-18:0/20:5)	750.5360889	6.22
PE(O-38:5) or PE(P-38:4)	752.5564821	6.55
SM(d16:1/18:1) or SM(d18:2/16:0)	701.5577646	5.56
SM(d18:0/16:0)	705.5855553	6.25
SM(d18:1/24:0)	815.6976576	7.73
SM(d32:1)	675.5387425	5.51
SM(d34:1)	703.573556	6.06
SM(d35:1)	717.5895045	5.93
SM(d36:1)	731.6043309	6.57
SM(d40:1)	787.6665656	7.39
SM(d42:1)	815.6940789	7.36
SM(d42:2)	813.6806343	6.95
SM(d42:3)	811.6670925	6.91
TG(14:0/16:0/18:1)	822.7532415	8.66
TG(14:0/18:1/18:1)	848.7688747	8.61
TG(14:0/18:2/18:2)	844.7364279	8.1
TG(16:0/16:0/12:0)	768.705939	8.44
TG(16:0/16:0/16:0)	824.768106	9.03
TG(16:0/18:0/18:1)	878.8138369	9.29
TG(16:0/18:2/12:0)	792.7061207	8.13
TG(16:0/18:2/18:2)	872.7706007	8.31
TG(16:0/18:2/18:3)	870.7441078	8.11
TG(16:0/18:2/22:6)	920.768257	8
TG(16:0/22:5/18:1) or TG(20:4/18:1/18:1)	924.7996014	8.33
TG(16:1/18:1/12:0)	794.7218393	8.39
TG(18:0/18:0/18:0)	908.861538	10.24
TG(18:0/18:1/20:4)	926.8138309	8.61
TG(18:1/12:0/18:1) or TG(18:2/16:0/14:0)	820.7380083	8.37
TG(18:1/18:1/16:0)	876.7999457	8.88
TG(18:1/18:1/18:1)	902.8152863	8.82
TG(18:1/18:1/22:6)	948.7994994	8.19
TG(18:1/18:2/18:2)	898.7819281	8.27
TG(18:2/18:1/16:0)	874.7833852	8.57
TG(18:2/18:1/18:1)	900.8002836	8.53
TG(18:2/18:2/18:2) or TG(18:3/18:2/18:1)	896.7686352	8.05
TG(18:2/22:5/16:0)	922.7830166	8.1
TG(46:0)	796.7373341	8.72
TG(47:0)	810.7527279	8.85
TG(47:1)	808.7375183	8.53
TG(48:0)	829.7242018	9.03
TG(48:1)	827.7081502	8.66
TG(48:3)	818.7209946	8.12
TG(49:0)	838.7852679	9.19
TG(49:1)	836.7693396	8.8
TG(49:2)	834.7535735	8.5
TG(50:0)	852.799312	9.38
TG(50:1)	850.7841038	8.95
TG(50:2)	853.7242299	8.61
TG(50:3)	851.7084081	8.33
TG(51:1)	864.8006375	9.11
TG(51:2)	867.7399112	8.74
TG(51:3)	860.7681917	8.47
TG(52:0)	880.8308873	9.78
TG(52:2)	881.7548095	8.88
TG(52:3)	879.7395209	8.57
TG(52:4)	877.7240613	8.31
TG(52:5)	875.7042982	8.11
TG(52:6)	868.7366446	7.95
TG(53:2)	890.81465	9.03
TG(53:3)	888.7994391	8.7
TG(53:4)	886.7836661	8.43
TG(54:1)	906.8445261	9.66
TG(54:2)	909.785909	9.2
TG(54:3)	907.771133	8.82
TG(54:4)	905.7552608	8.52
TG(54:5)	903.7366336	8.27
TG(54:6)	901.7245368	8.05
TG(56:2)	932.8617893	9.54
TG(56:3)	930.8463323	9.11
TG(56:4)	928.8305812	8.82
TG(56:5)	926.8122605	8.51
TG(56:6)	929.7545897	8.32
TG(58:6)	952.8302672	8.54
TG(58:9)	946.7838994	7.98
TG(O-50:1) or TG(P-50:0)	836.8051789	9.49
TG(O-52:2) or TG(P-52:1)	862.8203445	9.37
METABOLITES_END
#END