#METABOLOMICS WORKBENCH boudreaulab_20240604_145401 DATATRACK_ID:4899 STUDY_ID:ST003247 ANALYSIS_ID:AN005318 PROJECT_ID:PR002016
VERSION             	1
CREATED_ON             	June 6, 2024, 8:24 am
#PROJECT
PR:PROJECT_TITLE                 	Effects of mitoregulin loss on cardiac and mitochondrial lipids in mice
PR:PROJECT_SUMMARY               	We and others discovered a highly-conserved mitochondrial transmembrane
PR:PROJECT_SUMMARY               	microprotein, named Mitoregulin (Mtln), that supports lipid metabolism. We
PR:PROJECT_SUMMARY               	reported that Mtln strongly binds cardiolipin (CL), increases mitochondrial
PR:PROJECT_SUMMARY               	respiration and Ca2+ retention capacities, and reduces reactive oxygen species
PR:PROJECT_SUMMARY               	(ROS). Here we extend our observation of Mtln-CL binding and examine Mtln
PR:PROJECT_SUMMARY               	influence on cristae structure and mitochondrial membrane integrity during
PR:PROJECT_SUMMARY               	stress. We demonstrate that mitochondria from constitutive- and inducible
PR:PROJECT_SUMMARY               	Mtln-knockout (KO) mice are susceptible to membrane freeze-damage and that this
PR:PROJECT_SUMMARY               	can be rescued by acute Mtln re-expression. In mitochondrial-simulated lipid
PR:PROJECT_SUMMARY               	monolayers, we show that synthetic Mtln decreases lipid packing and monolayer
PR:PROJECT_SUMMARY               	elasticity. Lipidomics revealed that Mtln-KO heart tissues show broad decreases
PR:PROJECT_SUMMARY               	in 22:6-containing lipids and increased cardiolipin damage/remodeling. Lastly,
PR:PROJECT_SUMMARY               	we demonstrate that Mtln-KO mice suffer worse myocardial ischemia-reperfusion
PR:PROJECT_SUMMARY               	injury, hinting at a translationally-relevant role for Mtln in cardioprotection.
PR:PROJECT_SUMMARY               	Our work supports a model in which Mtln binds cardiolipin and stabilizes
PR:PROJECT_SUMMARY               	mitochondrial membranes to broadly influence diverse mitochondrial functions,
PR:PROJECT_SUMMARY               	including lipid metabolism, while also protecting against stress.
PR:INSTITUTE                     	University of Iowa
PR:LAST_NAME                     	Boudreau
PR:FIRST_NAME                    	Ryan
PR:ADDRESS                       	4334 PBDB, 169 Newton Rd, Iowa City, IA 52242
PR:EMAIL                         	ryan-boudreau@uiowa.edu
PR:PHONE                         	3193535573
#STUDY
ST:STUDY_TITLE                   	Effects of mitoregulin loss in aged female mice
ST:STUDY_SUMMARY                 	Cardiac lipidome analysis in aged (21 to 23-months old) female wildtype and mtln
ST:STUDY_SUMMARY                 	knockout mice
ST:INSTITUTE                     	University of Iowa
ST:LAST_NAME                     	Boudreau
ST:FIRST_NAME                    	Ryan
ST:ADDRESS                       	4334 PBDB, 169 Newton Rd, Iowa City, IA 52242
ST:EMAIL                         	ryan-boudreau@uiowa.edu
ST:PHONE                         	3193535573
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENDER                        	Female
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1066-23	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_25_+_1066-23_WT.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_118_-_1066-23_WT.mzML
SUBJECT_SAMPLE_FACTORS           	-	1066-4	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_11_+_1066-4_WT.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_125_-_1066-4_WT.mzML
SUBJECT_SAMPLE_FACTORS           	-	1074-34	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_19_+_1074-34_WT.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_115_-_1074-34_WT.mzML
SUBJECT_SAMPLE_FACTORS           	-	1103-12	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_24_+_1103-12_WT.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_112_-_1103-12_WT.mzML
SUBJECT_SAMPLE_FACTORS           	-	1133-1	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_14_+_1133-1_KO.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_114_-_1133-1_KO.mzML
SUBJECT_SAMPLE_FACTORS           	-	1143-2	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_15_+_1143-2_KO.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_107_-_1143-2_KO.mzML
SUBJECT_SAMPLE_FACTORS           	-	1143-3	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_13_+_1143-3_KO.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_123_-_1143-3_KO.mzML
SUBJECT_SAMPLE_FACTORS           	-	1145-2	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_26_+_1145-2_KO.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_124_-_1145-2_KO.mzML
SUBJECT_SAMPLE_FACTORS           	-	1152-1	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_07_+_1152-1_KO.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_108_-_1152-1_KO.mzML
SUBJECT_SAMPLE_FACTORS           	-	WTF	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_18_+_WTF_WT.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_106_-_WTF_WT.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Mtln-KO and WT mice were fasted for 4-6 h, and while under deep
CO:COLLECTION_SUMMARY            	ketamine/xylazine anesthesia, the heart apex was snipped off and immediately
CO:COLLECTION_SUMMARY            	snap-frozen by LN2 immersion.
CO:SAMPLE_TYPE                   	Heart
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipid extraction. Lipid extraction, based on Matyash et al.72, was performed as
SP:SAMPLEPREP_SUMMARY            	follows. All solutions were pre-chilled on ice. Tissues or mitochondrial pellets
SP:SAMPLEPREP_SUMMARY            	were transferred to labeled bead-mill tubes (1.4 mm, MoBio Cat# 13113-50) where
SP:SAMPLEPREP_SUMMARY            	lipids were extracted in a solution of 250 µL PBS, 225 µL MeOH containing
SP:SAMPLEPREP_SUMMARY            	internal standards, and 750 µL MTBE (methyl tert-butyl ether). Internal
SP:SAMPLEPREP_SUMMARY            	standards were Avanti SPLASH LipidoMix (Lot#12) at 10 µL per sample and
SP:SAMPLEPREP_SUMMARY            	Cambridge Isotope laboratories NSK-B and NSK-B-G1 (deuterated carnitines) at 10
SP:SAMPLEPREP_SUMMARY            	µL per sample. The samples were homogenized in one 30 s cycle using the Omni
SP:SAMPLEPREP_SUMMARY            	Bead Ruptor followed by a rest on ice for 1 h. An addition of 188 µL PBS was
SP:SAMPLEPREP_SUMMARY            	made to induce phase separation. After centrifugation at 16,000 g for 5 minutes
SP:SAMPLEPREP_SUMMARY            	at 4 °C, the upper phases were collected and evaporated to dryness under a
SP:SAMPLEPREP_SUMMARY            	gentle nitrogen stream at room temperature. Lipid samples were reconstituted in
SP:SAMPLEPREP_SUMMARY            	500 µL IPA (isopropyl alcohol) and transferred to an LC-MS vial with insert
SP:SAMPLEPREP_SUMMARY            	(Agilent 5182-0554 and 5183-2086) for analysis. Concurrently, a process blank
SP:SAMPLEPREP_SUMMARY            	sample and pooled quality control (QC) sample was prepared by taking equal
SP:SAMPLEPREP_SUMMARY            	volumes (~50 µL) from each sample after final resuspension.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Positive Mode RP LCMS
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity
CH:COLUMN_NAME                   	Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um)
CH:SOLVENT_A                     	40% water/60% acetonitrile; 0.1% formic acid; 10 mM ammonium formate
CH:SOLVENT_B                     	90% isopropanol/9% acetonitrile/1% water; 0.1% formic acid; 10 mM ammonium
CH:SOLVENT_B                     	formate
CH:FLOW_GRADIENT                 	Started at 15% mobile phase B then increased to 30% B over 2.4 min. It
CH:FLOW_GRADIENT                 	sequentially increased to 48% B from 2.4 – 3.0 min, 82% B from 3 – 13.2 min,
CH:FLOW_GRADIENT                 	and 99% B from 13.2 – 13.8 min where it’s held until 16.7 min and returned
CH:FLOW_GRADIENT                 	to the initial conditions and equilibrated for 5 min.
CH:FLOW_RATE                     	0.4 mL min
CH:COLUMN_TEMPERATURE            	65
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6530 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	For positive mode, the source gas temperature was set to 225 °C, with a drying
MS:MS_COMMENTS                   	gas flow of 11 L/minute, nebulizer pressure of 40 psig, sheath gas temp of 350
MS:MS_COMMENTS                   	°C and sheath gas flow of 11 L/minute. VCap voltage is set at 3500 V, nozzle
MS:MS_COMMENTS                   	voltage 500V, fragmentor at 110 V, skimmer at 85 V and octopole RF peak at 750
MS:MS_COMMENTS                   	V. For data processing, Agilent MassHunter (MH) Workstation and software
MS:MS_COMMENTS                   	packages MH Qualitiative and MH Quantitative were used. The pooled QC (n=8) and
MS:MS_COMMENTS                   	process blank (n=4) were injected throughout the sample queue to ensure the
MS:MS_COMMENTS                   	reliability of acquired lipidomics data. For lipid annotation, accurate mass and
MS:MS_COMMENTS                   	MS/MS matching was used with the Agilent Lipid Annotator library. Results from
MS:MS_COMMENTS                   	the positive and negative ionization modes from Lipid Annotator were merged
MS:MS_COMMENTS                   	based on the class of lipid identified. Data exported from MH Quantitative was
MS:MS_COMMENTS                   	evaluated using Excel where initial lipid targets are parsed based on the
MS:MS_COMMENTS                   	following criteria. Only lipids with relative standard deviations (RSD) less
MS:MS_COMMENTS                   	than 30% in QC samples are used for data analysis. Additionally, only lipids
MS:MS_COMMENTS                   	with background AUC counts in process blanks that are less than 30% of QC are
MS:MS_COMMENTS                   	used for data analysis. The parsed excel data tables are normalized based on the
MS:MS_COMMENTS                   	ratio to class-specific internal standards, then to sum prior to statistical
MS:MS_COMMENTS                   	analysis.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmol lipid per mg tissue
MS_METABOLITE_DATA_START
Samples	WTF	1066-23	1066-4	1074-34	1103-12	1133-1	1143-2	1143-3	1145-2	1152-1
Factors	Genotype:WT | Sample source:heart tissue	Genotype:WT | Sample source:heart tissue	Genotype:WT | Sample source:heart tissue	Genotype:WT | Sample source:heart tissue	Genotype:WT | Sample source:heart tissue	Genotype:KO | Sample source:heart tissue	Genotype:KO | Sample source:heart tissue	Genotype:KO | Sample source:heart tissue	Genotype:KO | Sample source:heart tissue	Genotype:KO | Sample source:heart tissue
CAR 14:0	9.89	6.32	6.06	16.09	36.79	20.09	7.73	31.21	7.73	26.15
CAR 14:1	4.71	3.54	3.51	8.77	26.94	6.97	3.58	17.64	5.22	13.61
CAR 15:0	0.35	0.39	0.28	0.61	1.73	1.19	0.49	1.50	0.39	1.00
CAR 16:0	48.33	27.52	31.54	67.85	240.33	141.39	54.24	207.14	37.65	104.82
CAR 16:1	10.70	8.27	8.40	21.46	87.22	31.22	10.89	59.40	14.58	25.91
CAR 16:2	3.38	4.39	3.66	7.44	25.46	9.26	3.49	20.01	3.80	14.39
CAR 18:0	17.46	8.93	10.47	18.98	64.01	29.51	12.67	41.35	7.15	35.72
CAR 18:1	37.66	25.51	32.00	64.25	424.32	121.28	48.93	254.76	58.18	94.17
CAR 18:2	15.70	16.16	20.23	30.57	208.09	69.53	23.14	170.05	19.82	75.68
CAR 20:1	1.59	0.51	0.40	0.93	11.05	5.08	0.73	6.76	0.63	2.46
CAR 20:2	0.46	0.72	0.43	0.94	3.42	3.54	0.42	3.75	0.42	1.30
CAR 20:3	0.33	0.28	0.46	0.56	1.99	0.79	0.32	1.37	0.20	1.20
CAR 20:4	2.79	2.07	1.99	2.90	5.10	1.98	2.06	3.55	1.60	4.61
CL 18:1_18:2_18:2_18:2	16.81	14.58	20.49	21.57	14.23	14.19	20.68	14.80	25.59	19.77
CL 70:7	1.03	1.27	1.19	1.17	0.50	0.99	1.49	0.95	2.14	1.63
CL 72:6	3.65	3.25	5.43	7.41	6.95	3.30	3.75	3.57	6.22	4.31
CL 72:8	34.22	33.11	30.16	26.72	11.56	25.06	51.01	28.94	39.89	44.36
CL 72:9	0.39	0.49	0.50	0.41	0.16	0.37	0.49	0.33	0.81	0.62
CL 74:10	0.89	1.14	1.41	1.33	0.74	0.78	1.18	1.00	1.93	1.22
CL 74:11	0.34	0.57	0.70	0.63	0.32	0.37	0.32	0.38	1.28	0.58
CL 74:9	2.62	3.79	3.85	3.02	1.82	2.34	4.50	3.62	5.13	4.03
CL 76:10	0.53	0.62	1.54	1.62	1.61	0.55	0.43	0.69	1.85	0.67
CL 76:11	5.84	7.67	14.44	13.96	10.98	5.93	5.37	6.98	17.93	8.40
CL 76:12	17.76	22.81	27.19	23.25	12.87	14.36	18.07	17.27	36.39	26.65
CL 76:13	0.14	0.20	0.26	0.22	0.11	0.14	0.13	0.14	0.42	0.21
CL 78:12	0.68	0.94	1.44	1.17	0.94	0.53	0.45	0.68	1.69	1.09
CL 78:13	0.67	1.29	1.91	1.34	0.97	0.68	0.75	1.19	2.66	1.21
CL 78:14	0.17	0.30	0.47	0.42	0.24	0.18	0.16	0.25	0.68	0.28
CL 78:15	0.03	0.07	0.11	0.11	0.08	0.04	0.02	0.04	0.22	0.07
CL 80:15	0.36	0.61	1.65	1.43	1.22	0.41	0.23	0.60	1.91	0.64
CL 80:16	3.15	5.41	8.88	7.30	5.48	2.78	2.24	4.33	10.85	5.58
CL 82:17	0.06	0.13	0.28	0.18	0.15	0.05	0.04	0.14	0.36	0.11
DG 18:0_22:6	12.58	12.90	11.15	13.21	12.33	10.42	8.79	10.80	8.06	11.98
DG 18:1_18:2	41.31	86.36	54.36	73.71	46.17	37.95	60.89	63.61	114.32	40.99
OxPC O-18:1/20:3+1O	31.82	30.19	28.09	28.54	36.81	25.14	38.72	42.12	32.11	31.01
PC O-16:0/20:4	13.68	13.68	13.04	14.80	17.79	11.40	11.31	13.23	12.77	13.31
PC O-16:0/22:5	15.14	19.15	21.24	22.74	23.99	14.18	13.65	18.85	20.54	18.88
PC O-16:0/22:6	135.56	149.13	152.38	163.85	174.33	111.63	102.02	121.19	138.05	145.36
PC O-16:1/18:2	12.55	13.68	12.06	12.73	10.90	13.31	17.11	13.59	13.37	12.27
PC O-16:1/20:4	40.94	57.67	43.69	49.37	48.60	44.80	50.58	51.96	47.08	40.66
PC O-16:1/22:6	258.24	326.27	234.24	297.00	296.57	239.53	213.32	236.60	229.97	289.15
PC O-18:0/22:6	14.60	9.41	13.19	12.02	18.30	8.99	7.33	9.78	11.80	16.83
PC O-18:1/22:6	21.81	25.28	28.73	28.47	38.61	18.59	16.05	22.05	26.27	25.08
PC O-18:3/22:6	4.23	6.31	6.47	5.46	5.70	4.57	4.35	4.89	5.14	5.59
PC O-22:6/22:6	1.19	1.48	1.56	1.14	1.18	1.14	0.95	1.04	1.67	1.48
PC O-32:0	8.64	4.73	5.68	5.09	10.34	5.08	4.94	6.11	5.64	7.51
PC O-32:1	6.66	7.35	6.54	6.50	5.47	6.32	6.50	7.25	7.52	7.28
PC O-34:0	2.42	0.57	1.21	0.79	3.34	0.84	0.86	1.16	1.09	2.02
PC O-34:1	10.58	8.15	10.15	9.62	14.89	8.81	8.55	10.05	10.97	9.70
PC O-34:4	0.54	0.49	0.58	0.60	0.64	0.46	0.50	0.50	0.60	0.53
PC O-36:0	0.56	0.12	0.21	0.16	0.65	0.16	0.19	0.25	0.23	0.38
PC O-36:2	5.59	1.59	2.88	1.86	8.49	2.12	2.21	2.98	2.16	5.07
PC O-38:0	0.06	0.03	0.05	0.04	0.10	0.05	0.05	0.05	0.07	0.08
PC O-38:2	1.04	0.39	0.49	0.41	1.45	0.40	0.39	0.52	0.44	0.77
PC O-39:7	4.30	7.64	6.60	5.69	5.00	5.47	4.80	4.77	5.53	5.99
PC O-40:5	1.73	1.09	1.69	1.52	2.49	1.08	1.06	1.48	1.48	1.87
PC O-40:7	0.57	0.43	0.50	0.45	0.73	0.41	0.41	0.46	0.48	0.56
PC O-40:8	28.70	38.00	39.09	39.32	44.78	28.26	27.02	33.41	33.23	34.24
PC O-40:9	1.80	2.02	1.71	1.93	2.04	1.45	1.24	1.46	1.28	1.92
PC O-42:6	0.93	0.26	0.49	0.44	1.21	0.39	0.47	0.47	0.63	0.77
PC O-42:7	0.42	0.28	0.34	0.36	0.42	0.34	0.38	0.32	0.43	0.40
PC O-44:7	0.76	0.13	0.44	0.26	0.86	0.36	0.28	0.33	0.56	0.66
LPC 16:0	94.22	103.22	117.42	119.40	120.68	97.39	110.43	129.09	84.54	102.10
LPC 17:0	1.05	1.55	1.64	1.48	1.67	1.39	1.28	1.49	1.15	1.52
LPC 18:0	134.80	120.11	127.53	198.95	254.17	137.65	134.01	145.58	126.04	143.20
LPC 18:1	5.68	6.87	9.27	8.02	9.54	6.30	7.55	10.04	6.37	6.72
LPC 18:2	10.89	15.44	16.49	12.84	18.09	14.83	15.32	21.32	11.73	16.71
LPC 19:0	0.83	1.30	1.41	0.84	1.36	1.11	1.03	1.15	0.81	1.18
LPC 20:4	2.77	3.57	3.69	5.08	6.31	3.33	4.20	5.24	3.20	3.31
LPC 22:6	7.77	9.25	7.87	9.38	9.97	6.66	8.10	8.20	6.94	7.32
PC 12:0_21:0	3.68	4.81	5.40	4.61	3.74	4.84	4.37	4.46	4.67	4.96
PC 14:0_16:0	6.15	5.04	4.96	5.01	3.02	5.20	4.91	5.18	5.06	6.38
PC 14:0_21:1	6.56	7.17	10.76	7.85	8.00	9.32	8.67	8.71	9.00	8.07
PC 14:0_22:6	6.03	6.15	6.14	5.68	4.75	6.10	3.04	3.96	5.77	5.41
PC 15:0_18:4	0.66	0.65	0.70	0.70	0.40	0.69	1.25	0.95	0.79	0.72
PC 15:0_22:6	13.57	21.16	20.88	16.97	18.09	18.79	13.91	14.27	17.54	18.59
PC 16:0_16:0	159.35	179.06	171.69	180.70	147.60	164.44	167.93	177.89	175.60	196.90
PC 16:0_16:1	20.73	19.99	22.74	23.57	18.26	20.53	20.91	22.39	31.34	24.84
PC 16:0_18:0	49.23	50.50	53.35	58.17	46.56	48.77	54.60	56.59	61.45	52.57
PC 16:0_18:1	355.70	335.69	432.18	415.70	387.53	395.92	388.74	398.97	438.97	405.45
PC 16:0_18:2	355.73	363.81	400.27	369.47	336.55	342.16	424.01	435.06	420.76	436.19
PC 16:0_20:4	493.81	545.20	449.37	534.33	468.47	421.60	535.47	541.51	464.11	494.57
PC 16:0_20:5	28.06	21.66	28.44	21.36	14.16	20.83	26.38	29.21	32.18	24.27
PC 16:0_22:5	71.25	70.88	77.74	79.02	91.62	63.95	65.86	76.85	82.33	74.02
PC 16:0_22:6	1333.88	1485.19	1317.51	1433.63	1339.71	1211.94	1293.14	1338.26	1231.94	1478.23
PC 16:1_18:2	14.02	17.88	21.05	20.09	16.61	17.96	19.33	20.97	35.10	20.74
PC 16:1_18:3	0.97	1.05	1.04	1.05	0.82	0.94	0.84	0.93	1.25	0.95
PC 16:1_20:4	8.07	7.84	9.59	8.00	5.89	7.19	9.38	8.28	11.93	7.80
PC 16:1_22:6	23.92	29.20	30.33	33.77	33.20	26.61	20.72	25.69	41.42	28.40
PC 17:0_18:2	6.95	8.61	12.01	8.43	8.22	9.10	9.96	10.74	11.36	9.50
PC 17:0_20:4	20.54	28.92	23.81	25.36	22.76	21.12	28.77	28.50	24.96	21.45
PC 17:0_22:5	3.80	5.72	6.21	5.43	4.68	4.80	4.86	5.61	5.71	5.76
PC 17:0_22:6	43.16	61.87	59.34	57.46	57.86	48.52	47.47	51.23	52.91	53.91
PC 17:1_22:6	8.86	11.86	13.66	10.74	12.49	10.63	8.98	10.63	11.40	11.56
PC 18:0_18:1	194.71	155.36	238.85	219.57	207.87	226.60	239.98	230.17	245.23	182.49
PC 18:0_18:2	349.06	322.98	361.05	347.31	351.63	288.30	414.90	423.67	435.02	380.06
PC 18:0_20:1	6.84	2.41	5.46	4.33	6.24	3.66	4.85	5.69	5.81	5.92
PC 18:0_20:2	12.96	11.19	12.87	10.74	14.13	10.50	12.34	13.47	12.68	14.40
PC 18:0_20:3	31.09	30.13	27.90	28.54	36.81	25.63	39.39	42.12	32.12	30.24
PC 18:0_20:4	502.14	588.38	457.82	540.95	486.36	433.06	593.26	600.30	463.17	466.30
PC 18:0_22:4	13.21	11.86	15.35	22.34	25.57	13.14	13.21	15.55	17.19	14.20
PC 18:0_22:5	58.31	54.38	58.38	65.65	77.01	47.40	47.52	55.10	58.22	53.57
PC 18:0_22:6	1275.41	1397.50	1244.10	1358.31	1292.21	1130.25	1263.56	1291.57	1195.89	1341.23
PC 18:1_18:2	144.84	145.74	183.93	160.76	158.07	151.79	201.99	202.95	240.73	170.80
PC 18:1_22:5	13.72	15.96	18.02	17.54	17.47	14.21	14.02	16.56	18.91	16.99
PC 18:1_22:6	187.34	209.65	230.43	224.46	220.31	189.60	223.92	233.75	231.86	209.81
PC 18:2_18:2	45.43	54.52	70.10	51.96	43.08	56.78	75.73	78.13	84.98	66.91
PC 18:2_18:3	3.04	3.96	4.20	3.63	2.38	4.56	3.94	4.09	5.43	4.06
PC 18:2_20:4	67.74	66.34	74.14	68.93	52.33	68.40	95.25	85.20	72.89	57.80
PC 18:2_22:5	15.35	14.22	18.34	16.80	12.36	16.43	15.66	16.70	18.13	16.96
PC 18:2_22:6	404.85	374.40	418.06	401.88	364.83	386.28	431.47	405.99	429.23	386.58
PC 18:3_22:6	7.11	8.28	6.12	6.90	6.81	6.51	6.76	6.96	5.21	7.69
PC 19:0_18:2	3.56	4.09	6.07	3.44	4.42	4.30	5.76	6.06	5.58	4.33
PC 19:0_20:4	4.76	6.97	6.62	4.82	5.85	5.86	7.77	8.40	6.44	4.80
PC 19:0_22:5	1.10	1.29	1.45	1.03	1.27	1.08	1.10	1.22	1.27	1.16
PC 19:0_22:6	29.11	45.74	46.38	33.49	40.80	37.64	34.41	40.08	39.26	36.53
PC 20:0_22:6	11.20	8.48	12.63	10.23	12.97	8.10	8.98	11.56	12.30	11.10
PC 20:1_18:3	5.20	5.47	4.61	6.16	4.99	4.43	6.44	6.77	5.54	4.32
PC 20:1_22:6	5.46	2.58	5.64	3.19	5.73	3.37	3.69	5.63	4.38	5.92
PC 20:2_22:6	4.09	5.66	5.01	4.27	6.33	3.77	3.58	4.53	4.13	5.06
PC 20:3_22:6	6.71	8.17	8.45	8.68	9.09	6.60	6.28	7.71	6.86	5.47
PC 20:4_22:6	7.38	7.58	7.04	9.77	8.99	6.69	5.60	6.33	6.75	4.22
PC 20:5_22:6	0.61	0.49	0.57	0.61	0.30	0.53	0.39	0.44	0.34	0.39
PC 22:2_20:3	0.88	0.78	1.01	1.07	1.28	0.76	0.82	1.01	1.06	1.01
PC 22:5_22:6	2.88	1.91	2.70	2.84	1.55	2.41	1.38	1.67	2.20	1.90
PC 22:6_22:6	7.33	5.12	5.96	7.90	5.88	5.60	3.26	4.02	5.22	3.39
PC 24:0_18:1	0.19	0.19	0.29	0.27	0.26	0.24	0.23	0.26	0.29	0.26
PC 31:0	4.81	5.68	5.95	5.09	3.95	5.89	5.36	5.07	5.03	6.26
PC 32:2	2.82	2.97	3.38	2.96	2.23	3.35	2.75	3.10	3.94	3.34
PC 33:1	5.61	6.12	8.19	6.39	5.89	7.27	6.56	6.73	8.02	7.18
PC 33:2	1.15	1.54	1.91	1.33	1.12	1.62	1.75	1.69	1.61	1.67
PC 35:3	1.24	1.49	1.71	1.36	1.41	1.51	1.76	1.75	1.55	1.64
PC 36:6	0.83	1.07	1.00	1.08	1.01	0.92	0.93	1.02	1.38	1.25
PC 37:1	1.65	1.72	2.81	1.70	2.11	2.37	2.50	2.32	2.56	1.91
PC 37:5	1.61	2.03	2.35	1.98	1.72	1.85	2.11	2.26	2.31	1.97
PC 38:4	18.36	19.94	21.52	21.45	25.67	19.01	21.63	24.40	24.46	21.91
PC 38:5	181.50	215.90	212.37	220.94	197.03	190.55	192.96	214.63	210.25	237.15
PC 38:7	4.52	5.59	5.76	5.24	4.62	5.14	6.17	6.69	6.24	6.30
PC 40:0	0.20	0.24	0.30	0.28	0.25	0.26	0.22	0.27	0.30	0.31
PC 40:1	0.31	0.24	0.39	0.34	0.38	0.29	0.32	0.37	0.37	0.43
PC 40:2	0.30	0.26	0.38	0.31	0.31	0.30	0.29	0.33	0.33	0.37
PC 40:3	0.81	0.61	0.92	0.74	0.99	0.70	0.79	0.87	0.85	0.89
PC 41:7	1.79	2.55	2.84	1.95	2.25	2.23	2.33	2.52	2.56	2.33
PC 42:10	1.00	0.72	0.81	0.68	0.84	0.69	0.62	0.55	0.63	0.56
PC 42:2	0.43	0.46	0.60	0.44	0.42	0.47	0.45	0.52	0.39	0.58
PC 44:6	0.31	0.28	0.36	0.35	0.42	0.29	0.27	0.32	0.33	0.36
PC 46:6	0.12	0.11	0.12	0.14	0.14	0.11	0.10	0.12	0.11	0.13
SM 18:0;OH/16:0	14.14	10.50	9.75	11.33	17.22	11.83	9.13	9.91	11.67	13.74
SM 18:1;O2/18:0	59.00	63.71	54.52	60.41	50.94	66.25	58.84	58.05	62.11	62.98
SM 18:1;O2/21:0	17.52	26.96	31.85	21.69	23.71	30.90	25.28	25.97	38.87	25.40
SM 32:1;O2	0.69	0.83	0.80	0.85	0.61	0.86	0.72	0.79	1.13	0.81
SM 33:1;O2	3.86	5.19	5.75	4.39	5.89	5.13	4.10	4.24	5.98	5.32
SM 34:1;O2	127.54	116.12	111.93	129.41	140.69	121.74	113.89	121.75	127.29	126.60
SM 34:2;O2	3.59	3.94	3.78	3.83	4.47	4.18	3.10	3.42	5.33	3.75
SM 35:1;O2	5.28	6.95	6.60	6.01	5.98	7.00	5.80	5.93	6.63	6.41
SM 36:2;O2	16.50	17.78	14.12	15.38	13.95	16.18	14.57	15.57	16.15	15.77
SM 38:1;O2	192.68	147.64	183.85	160.39	164.27	168.67	154.79	183.61	226.88	199.43
SM 38:2;O2	34.71	29.15	34.11	27.80	32.59	26.68	25.47	35.59	35.58	37.48
SM 39:2;O2	6.56	10.07	10.65	7.63	9.08	10.32	8.35	9.93	10.62	8.13
SM 40:1;O2	156.92	144.77	163.26	167.61	158.77	162.32	133.96	159.77	222.07	190.05
SM 40:2;O2	43.77	43.28	49.63	49.58	50.42	43.23	36.16	47.42	61.03	53.19
SM 41:1;O2	23.58	32.39	30.25	30.20	22.16	32.62	23.40	25.67	40.77	26.90
SM 41:2;O2	9.31	10.30	10.98	10.45	9.80	10.68	8.31	9.05	13.86	9.57
SM 42:1;O2	31.90	34.70	36.11	38.29	28.66	37.51	30.27	33.61	52.12	37.54
SM 42:2;O2	100.14	77.76	105.20	101.78	124.88	101.70	94.16	105.73	148.56	119.84
SM 42:3;O2	32.97	36.76	34.38	35.15	39.43	36.38	30.03	33.64	47.99	37.42
SM 43:1;O2	0.95	1.33	1.35	1.41	1.00	1.30	1.02	1.24	1.64	1.16
SM 43:2;O2	0.68	0.93	0.95	0.88	0.78	1.00	0.80	0.79	1.20	0.82
SM 44:1;O2	0.65	0.80	0.81	0.78	0.77	0.94	0.64	0.83	1.16	0.69
SM 44:2;O2	0.27	0.28	0.32	0.29	0.28	0.31	0.29	0.32	0.44	0.31
TG 12:0_18:2_18:2	0.42	1.66	3.39	1.77	0.85	0.85	1.01	1.41	6.83	2.10
TG 14:0_16:0_18:2	5.61	23.43	37.84	23.66	6.52	14.21	14.78	18.17	56.41	23.19
TG 14:0_18:2_18:2	4.57	28.02	43.79	23.11	10.53	12.54	14.19	22.26	90.40	25.87
TG 15:0_18:2_18:2	0.45	3.35	5.27	1.98	1.29	1.30	1.84	2.70	12.15	2.96
TG 16:0_16:0_16:0	5.91	10.17	15.34	9.94	2.71	8.90	8.31	8.03	18.05	11.05
TG 16:0_16:0_18:0	3.81	6.80	10.98	7.31	2.61	6.23	6.37	6.15	16.75	7.96
TG 16:0_16:0_18:1	40.49	101.09	126.83	88.61	48.24	65.85	86.74	94.09	234.19	81.71
TG 16:0_16:1_18:2	18.18	87.63	119.62	78.60	33.88	44.75	55.08	73.08	229.78	71.17
TG 16:0_17:1_18:2	1.23	9.15	14.40	5.78	4.35	3.83	5.83	8.80	35.57	7.50
TG 16:0_18:0_18:1	17.29	43.41	62.62	46.40	24.49	31.31	42.37	47.61	125.68	43.12
TG 16:0_22:6_22:6	12.59	6.27	15.10	29.41	6.20	7.49	1.88	4.04	6.54	10.30
TG 16:1_18:1_18:2	85.75	354.87	399.16	242.20	175.26	161.23	262.09	309.67	777.46	286.42
TG 17:0_18:1_18:2	2.71	17.18	27.84	12.07	12.19	7.99	14.41	20.51	78.84	15.24
TG 17:1_18:2_18:2	0.75	6.08	8.45	3.30	2.93	2.14	4.01	6.24	26.02	4.86
TG 18:0_18:2_22:6	56.35	95.43	144.88	115.62	101.45	57.15	71.73	96.57	213.16	103.99
TG 18:1_18:1_20:1	20.26	22.63	42.90	28.57	48.16	18.87	32.61	48.64	78.73	41.70
TG 18:1_18:1_22:5	36.06	59.96	91.44	85.00	83.82	41.25	45.78	66.53	177.68	72.12
TG 18:1_18:2_19:1	2.21	10.08	13.16	6.23	9.09	4.73	9.10	9.79	39.43	9.44
TG 18:1_18:2_22:5	42.71	79.68	108.70	96.48	79.24	47.01	47.72	73.44	185.82	92.97
TG 18:1_22:6_22:6	10.70	3.93	10.87	22.16	6.11	5.42	1.35	2.52	5.75	7.11
TG 18:2_22:6_22:6	18.02	7.55	15.57	31.09	6.57	8.38	2.13	3.72	5.46	12.84
TG 22:6_22:6_22:6	1.30	0.18	0.54	1.74	0.17	0.31	0.04	0.07	0.13	0.33
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Formula	m/z	Retention time
CAR 14:0	C21H41NO4	372.3114	1.766
CAR 14:1	C21H39NO4	370.2955	1.47
CAR 15:0	C22H43NO4	386.3264	2.117
CAR 16:0	C23H45NO4	400.3435	2.551
CAR 16:1	C23H43NO4	398.3274	1.977
CAR 16:2	C23H41NO4	396.3113	1.573
CAR 18:0	C25H49NO4	428.3744	3.596
CAR 18:1	C25H47NO4	426.3597	2.766
CAR 18:2	C25H45NO4	424.344	2.162
CAR 20:1	C27H51NO4	454.3884	3.741
CAR 20:2	C27H49NO4	452.3726	3.02
CAR 20:3	C27H47NO4	450.3585	2.462
CAR 20:4	C27H45NO4	448.3426	2.117
CL 18:1_18:2_18:2_18:2	C81H144O17P2	1449.9803	12.631
CL 70:7	C79H140O17P2	1440.9918	12.119
CL 72:6	C81H146O17P2	1471.0306	12.995
CL 72:8	C81H142O17P2	1467.0105	12.205
CL 72:9	C81H140O17P2	1464.9881	11.833
CL 74:10	C83H142O17P2	1491.007	12.109
CL 74:11	C83H140O17P2	1488.989	11.847
CL 74:9	C83H144O17P2	1493.0245	12.328
CL 76:10	C85H146O17P2	1519.0317	12.75
CL 76:11	C85H144O17P2	1517.0264	12.338
CL 76:12	C85H142O17P2	1515.0114	11.919
CL 76:13	C85H140O17P2	1512.9889	11.574
CL 78:12	C87H146O17P2	1543.04	12.407
CL 78:13	C87H144O17P2	1541.0245	12.044
CL 78:14	C87H142O17P2	1539.0021	11.825
CL 78:15	C87H140O17P2	1536.9887	11.579
CL 80:15	C89H144O17P2	1565.0226	12.045
CL 80:16	C89H142O17P2	1563.0099	11.629
CL 82:17	C91H144O17P2	1589.0189	11.743
DG 18:0_22:6	C43H72O5	686.5727	9.326
DG 18:1_18:2	C39H70O5	636.5582	8.968
OxPC O-18:1/20:3+1O	C46H86NO8P	856.6064	8.239
PC O-16:0/20:4	C44H82NO7P	768.5918	7.501
PC O-16:0/22:5	C46H84NO7P	794.6088	7.524
PC O-16:0/22:6	C46H82NO7P	792.5902	7.272
PC O-16:1/18:2	C42H80NO7P	742.5729	7.506
PC O-16:1/20:4	C44H80NO7P	810.5649	7.366
PC O-16:1/22:6	C46H80NO7P	834.5668	7.126
PC O-18:0/22:6	C48H86NO7P	820.6236	8.129
PC O-18:1/22:6	C48H84NO7P	818.6088	7.322
PC O-18:3/22:6	C48H80NO7P	814.5758	6.567
PC O-22:6/22:6	C52H82NO7P	864.5915	6.147
PC O-32:0	C40H82NO7P	720.5921	8.228
PC O-32:1	C40H80NO7P	718.5713	8.104
PC O-34:0	C42H86NO7P	748.6224	9.123
PC O-34:1	C42H84NO7P	746.6075	8.329
PC O-34:4	C42H78NO7P	740.5585	6.632
PC O-36:0	C44H90NO7P	776.653	9.979
PC O-36:2	C44H86NO7P	772.6233	8.515
PC O-38:0	C46H94NO7P	804.6837	10.816
PC O-38:2	C46H90NO7P	800.6573	9.393
PC O-39:7	C47H82NO7P	804.5899	7.501
PC O-40:5	C48H88NO7P	822.6341	8.42
PC O-40:7	C48H84NO7P	818.5991	8.4
PC O-40:8	C48H82NO7P	816.5919	7.209
PC O-40:9	C48H80NO7P	814.5717	7.262
PC O-42:6	C50H90NO7P	848.6514	9.01
PC O-42:7	C50H88NO7P	846.6366	8.864
PC O-44:7	C52H92NO7P	874.6688	8.978
LPC 16:0	C24H50NO7P	496.3409	2.192
LPC 17:0	C25H52NO7P	510.3561	2.929
LPC 18:0	C26H54NO7P	524.3738	3.509
LPC 18:1	C26H52NO7P	522.354	2.623
LPC 18:2	C26H50NO7P	520.3395	2.009
LPC 19:0	C27H56NO7P	538.3869	3.936
LPC 20:4	C28H50NO7P	544.3404	1.937
LPC 22:6	C30H50NO7P	612.3292	1.831
PC 12:0_21:0	C41H82NO8P	748.5879	8.13
PC 14:0_16:0	C38H76NO8P	706.5409	6.83
PC 14:0_21:1	C43H84NO8P	774.6034	8.183
PC 14:0_22:6	C44H76NO8P	778.5405	5.968
PC 15:0_18:4	C41H74NO8P	740.5251	6.812
PC 15:0_22:6	C45H78NO8P	792.5566	6.367
PC 16:0_16:0	C40H80NO8P	734.5732	7.699
PC 16:0_16:1	C40H78NO8P	732.5571	6.928
PC 16:0_18:0	C42H84NO8P	762.6058	8.562
PC 16:0_18:1	C42H82NO8P	760.5894	7.765
PC 16:0_18:2	C42H80NO8P	758.5714	7.131
PC 16:0_20:4	C44H80NO8P	782.5726	6.982
PC 16:0_20:5	C44H78NO8P	780.5562	6.443
PC 16:0_22:5	C46H82NO8P	808.5885	7.331
PC 16:0_22:6	C46H80NO8P	806.5728	6.767
PC 16:1_18:2	C42H78NO8P	756.5561	6.445
PC 16:1_18:3	C42H76NO8P	754.54	6.163
PC 16:1_20:4	C44H78NO8P	780.5553	6.252
PC 16:1_22:6	C46H78NO8P	804.5572	6.105
PC 17:0_18:2	C43H82NO8P	772.5883	7.523
PC 17:0_20:4	C45H82NO8P	796.5888	7.435
PC 17:0_22:5	C47H84NO8P	822.6032	7.469
PC 17:0_22:6	C47H82NO8P	820.5885	7.198
PC 17:1_22:6	C47H80NO8P	818.5727	6.503
PC 18:0_18:1	C44H86NO8P	788.6193	8.652
PC 18:0_18:2	C44H84NO8P	786.6045	8.002
PC 18:0_20:1	C46H90NO8P	860.6422	9.47
PC 18:0_20:2	C46H88NO8P	814.6346	8.775
PC 18:0_20:3	C46H86NO8P	812.6197	8.207
PC 18:0_20:4	C46H84NO8P	810.6046	7.854
PC 18:0_22:4	C48H88NO8P	838.6355	8.471
PC 18:0_22:5	C48H86NO8P	836.6195	7.914
PC 18:0_22:6	C48H84NO8P	834.6044	7.617
PC 18:1_18:2	C44H82NO8P	828.5773	7.223
PC 18:1_22:5	C48H84NO8P	878.5904	7.144
PC 18:1_22:6	C48H82NO8P	832.5888	6.877
PC 18:2_18:2	C44H80NO8P	782.5735	6.571
PC 18:2_18:3	C44H78NO8P	780.5562	6.025
PC 18:2_20:4	C46H80NO8P	806.5725	6.442
PC 18:2_22:5	C48H82NO8P	832.5874	6.485
PC 18:2_22:6	C48H80NO8P	830.5723	6.239
PC 18:3_22:6	C48H78NO8P	828.5558	5.736
PC 19:0_18:2	C45H86NO8P	800.6177	8.433
PC 19:0_20:4	C47H86NO8P	824.6194	8.315
PC 19:0_22:5	C49H88NO8P	850.6337	8.611
PC 19:0_22:6	C49H86NO8P	848.6208	8.062
PC 20:0_22:6	C50H88NO8P	862.6354	8.482
PC 20:1_18:3	C46H84NO8P	810.6025	8.382
PC 20:1_22:6	C50H86NO8P	860.6176	7.68
PC 20:2_22:6	C50H84NO8P	858.6032	6.966
PC 20:3_22:6	C50H82NO8P	856.5867	6.442
PC 20:4_22:6	C50H80NO8P	854.5723	6.082
PC 20:5_22:6	C50H78NO8P	852.5555	5.606
PC 22:2_20:3	C50H90NO8P	864.6462	8.737
PC 22:5_22:6	C52H82NO8P	880.5872	6.145
PC 22:6_22:6	C52H80NO8P	878.572	5.894
PC 24:0_18:1	C50H98NO8P	872.7109	11.09
PC 31:0	C39H78NO8P	720.555	7.252
PC 32:2	C40H76NO8P	730.5386	6.291
PC 33:1	C41H80NO8P	746.5714	7.379
PC 33:2	C41H78NO8P	744.5556	6.67
PC 35:3	C43H80NO8P	770.5706	6.886
PC 36:6	C44H76NO8P	778.5397	6.423
PC 37:1	C45H88NO8P	802.6351	9.075
PC 37:5	C45H80NO8P	794.571	6.662
PC 38:4	C46H84NO8P	810.6006	7.424
PC 38:5	C46H82NO8P	808.5884	7.047
PC 38:7	C46H78NO8P	804.554	6.577
PC 40:0	C48H96NO8P	846.6953	11.056
PC 40:1	C48H94NO8P	844.6794	10.287
PC 40:2	C48H92NO8P	842.6627	9.502
PC 40:3	C48H90NO8P	840.6464	8.856
PC 41:7	C49H84NO8P	846.6011	7.254
PC 42:10	C50H80NO8P	854.5681	5.877
PC 42:2	C50H96NO8P	870.6954	10.533
PC 44:6	C52H92NO8P	890.663	9.341
PC 46:6	C54H96NO8P	918.6921	10.164
SM 18:0;OH/16:0	C39H81N2O6P	705.5913	7.054
SM 18:1;O2/18:0	C41H83N2O6P	731.6089	7.659
SM 18:1;O2/21:0	C44H89N2O6P	773.6562	8.987
SM 32:1;O2	C37H75N2O6P	675.5436	5.882
SM 33:1;O2	C38H77N2O6P	689.5598	6.301
SM 34:1;O2	C39H79N2O6P	703.5781	6.704
SM 34:2;O2	C39H77N2O6P	701.5607	6.036
SM 35:1;O2	C40H81N2O6P	717.5917	7.187
SM 36:2;O2	C41H81N2O6P	729.5929	6.901
SM 38:1;O2	C43H87N2O6P	759.6418	8.537
SM 38:2;O2	C43H85N2O6P	757.6247	7.769
SM 39:2;O2	C44H87N2O6P	771.635	8.224
SM 40:1;O2	C45H91N2O6P	787.6727	9.417
SM 40:2;O2	C45H89N2O6P	785.6565	8.683
SM 41:1;O2	C46H93N2O6P	801.6875	9.842
SM 41:2;O2	C46H91N2O6P	799.671	9.114
SM 42:1;O2	C47H95N2O6P	815.7035	10.268
SM 42:2;O2	C47H93N2O6P	813.6878	9.385
SM 42:3;O2	C47H91N2O6P	811.6693	8.664
SM 43:1;O2	C48H97N2O6P	829.7156	10.647
SM 43:2;O2	C48H95N2O6P	827.6988	9.811
SM 44:1;O2	C49H99N2O6P	843.7291	11.068
SM 44:2;O2	C49H97N2O6P	841.7112	10.233
TG 12:0_18:2_18:2	C51H90O6	816.7089	12.347
TG 14:0_16:0_18:2	C51H94O6	820.7389	13.402
TG 14:0_18:2_18:2	C53H94O6	844.7385	12.955
TG 15:0_18:2_18:2	C54H96O6	858.7521	13.25
TG 16:0_16:0_16:0	C51H98O6	824.775	14.434
TG 16:0_16:0_18:0	C53H102O6	852.806	14.608
TG 16:0_16:0_18:1	C53H100O6	850.7934	14.593
TG 16:0_16:1_18:2	C53H96O6	846.7548	13.437
TG 16:0_17:1_18:2	C54H98O6	860.7689	13.718
TG 16:0_18:0_18:1	C55H104O6	878.8229	14.613
TG 16:0_22:6_22:6	C63H98O6	968.7705	12.755
TG 16:1_18:1_18:2	C55H98O6	872.7712	13.504
TG 17:0_18:1_18:2	C56H102O6	888.8076	14.212
TG 17:1_18:2_18:2	C56H98O6	884.7682	13.285
TG 18:0_18:2_22:6	C61H102O6	948.7989	13.676
TG 18:1_18:1_20:1	C59H108O6	930.855	14.621
TG 18:1_18:1_22:5	C61H104O6	950.8198	13.81
TG 18:1_18:2_19:1	C58H104O6	914.8228	14.24
TG 18:1_18:2_22:5	C61H102O6	948.8017	13.373
TG 18:1_22:6_22:6	C65H100O6	994.7854	12.772
TG 18:2_22:6_22:6	C65H98O6	992.7733	12.273
TG 22:6_22:6_22:6	C69H98O6	1040.7702	11.865
METABOLITES_END
#END