#METABOLOMICS WORKBENCH garodriguezblanco10_20200326_110242 DATATRACK_ID:1955 STUDY_ID:ST001359 ANALYSIS_ID:AN002263 PROJECT_ID:PR000929
VERSION             	1
CREATED_ON             	April 13, 2020, 10:52 am
#PROJECT
PR:PROJECT_TITLE                 	Monophasic lipidomics extraction in cancer cell lines
PR:PROJECT_TYPE                  	Lipidomics
PR:PROJECT_SUMMARY               	We performed a comprehensive characterization of a monophasic extraction method
PR:PROJECT_SUMMARY               	in cancer cell lines. We used pharmacological perturbation on HepG2 cells to
PR:PROJECT_SUMMARY               	identify changes in different lipid families. We optimized the MS parameters,
PR:PROJECT_SUMMARY               	the chromatography and the data analysis to perform rapid and robust lipidomics
PR:PROJECT_SUMMARY               	analysis from cell lines.
PR:INSTITUTE                     	Institute of Genetics and Molecular Medicine
PR:LABORATORY                    	Mass Spec Lab
PR:LAST_NAME                     	Rodriguez Blanco
PR:FIRST_NAME                    	Giovanny
PR:ADDRESS                       	Crewe Road South, Edinburgh, Midlothian, EH42XU, United Kingdom
PR:EMAIL                         	g.blanco@ed.ac.uk
PR:PHONE                         	00447526056849
#STUDY
ST:STUDY_TITLE                   	Monophasic lipidomics extraction in cancer cell line
ST:STUDY_TYPE                    	Lipidomics
ST:STUDY_SUMMARY                 	We performed a comprehensive characterization of a monophasic extraction method
ST:STUDY_SUMMARY                 	in cancer cell lines. We used pharmacological perturbation on HepG2 cells to
ST:STUDY_SUMMARY                 	identify changes in different lipid families. We optimized the MS parameters,
ST:STUDY_SUMMARY                 	the chromatography and the data analysis to perform rapid and robust lipidomics
ST:STUDY_SUMMARY                 	analysis from cell lines.
ST:INSTITUTE                     	Beatson Institute for Cancer Research
ST:DEPARTMENT                    	Metabolomics
ST:LABORATORY                    	Metabolomics
ST:LAST_NAME                     	Rodriguez Blanco
ST:FIRST_NAME                    	Giovanny
ST:ADDRESS                       	Garscube State, Switchback road, Glasgow
ST:EMAIL                         	g.blanco@ed.ac.uk
ST:PHONE                         	+447526056849
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:CELL_BIOSOURCE_OR_SUPPLIER    	HPACC
SU:CELL_PASSAGE_NUMBER           	10-20
#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           	-	VV_13_HEpG2_C1	Variable:Control	RAW_FILE_NAME=VV_13_HEpG2_C1_pos.raw
SUBJECT_SAMPLE_FACTORS           	-	VV_14_HEpG2_C2	Variable:Control	RAW_FILE_NAME=VV_14_HEepG2_C2_pos.raw
SUBJECT_SAMPLE_FACTORS           	-	VV_15_HEpG2_C3	Variable:Control	RAW_FILE_NAME=VV_15_HEpG2_C3_pos.raw
SUBJECT_SAMPLE_FACTORS           	-	VV_16_HEpG2_SDC1	Variable:SDC_i	RAW_FILE_NAME=VV_16_HEpG2_SDC1_pos.raw
SUBJECT_SAMPLE_FACTORS           	-	VV_17_HEpG2_SDC2	Variable:SDC_i	RAW_FILE_NAME=VV_17_HEpG2_SDC2_pos.raw
SUBJECT_SAMPLE_FACTORS           	-	VV_18_HEpG2_SDC3	Variable:SDC_i	RAW_FILE_NAME=VV_18_HEpG2_SDC3_pos.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Single-phase lipid extraction was performed according to some reported protocols
CO:COLLECTION_SUMMARY            	for metabolomics extraction (MacKay et al., 2015). Briefly, media was quickly
CO:COLLECTION_SUMMARY            	removed from the plates and each well was washed twice with ice-cold PBS. An
CO:COLLECTION_SUMMARY            	extracting solution containing either isopropanol (IPA) or a mixture 1:1 of
CO:COLLECTION_SUMMARY            	methanol-butanol (BuMe), kept at 4°C, was used to simultaneously quench all
CO:COLLECTION_SUMMARY            	metabolic reactions and to extract intra-cellular lipids. Plates were incubated
CO:COLLECTION_SUMMARY            	on dry ice for 20 min and extracted lipids were transferred to 1.5 ml Eppendorf
CO:COLLECTION_SUMMARY            	tubes (Stevenage, UK) followed by centrifugation (4°C) at 14000 rpm for 10min
CO:COLLECTION_SUMMARY            	to remove the denatured proteins. Supernatants were collected and stored at
CO:COLLECTION_SUMMARY            	-80°C prior to LC-MS analysis. Protein pellets attached to the plate were left
CO:COLLECTION_SUMMARY            	to dry overnight for the subsequent protein normalisation by the modified-Lowry
CO:COLLECTION_SUMMARY            	procedure (MacKay et al., 2015).
CO:COLLECTION_PROTOCOL_FILENAME  	garodriguezblanco10_20200326_110242_PR_CO_Methods.docx
CO:SAMPLE_TYPE                   	HepG2 cells
#TREATMENT
TR:TREATMENT_SUMMARY             	HepG2 cells were treated with a desaturase inhibitor for 24h.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Single-phase lipid extraction was performed according to some reported protocols
SP:SAMPLEPREP_SUMMARY            	for metabolomics extraction (MacKay et al., 2015). Briefly, media was quickly
SP:SAMPLEPREP_SUMMARY            	removed from the plates and each well was washed twice with ice-cold PBS. An
SP:SAMPLEPREP_SUMMARY            	extracting solution containing either isopropanol (IPA) or a mixture 1:1 of
SP:SAMPLEPREP_SUMMARY            	methanol-butanol (BuMe), kept at 4°C, was used to simultaneously quench all
SP:SAMPLEPREP_SUMMARY            	metabolic reactions and to extract intra-cellular lipids. Plates were incubated
SP:SAMPLEPREP_SUMMARY            	on dry ice for 20 min and extracted lipids were transferred to 1.5 ml Eppendorf
SP:SAMPLEPREP_SUMMARY            	tubes (Stevenage, UK) followed by centrifugation (4°C) at 14000 rpm for 10min
SP:SAMPLEPREP_SUMMARY            	to remove the denatured proteins. Supernatants were collected and stored at
SP:SAMPLEPREP_SUMMARY            	-80°C prior to LC-MS analysis. Protein pellets attached to the plate were left
SP:SAMPLEPREP_SUMMARY            	to dry overnight for the subsequent protein normalisation.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The mobile phases consisted of 60:40 ACN: H2O with 10mM ammonium formate, 0.1%
CH:CHROMATOGRAPHY_SUMMARY        	formic acid and 5µM of phosphoric acid (A) and 90:10 IPA:ACN with 10 mM
CH:CHROMATOGRAPHY_SUMMARY        	ammonium formate, 0.1% formic acid and 5µM phosphoric acid (B). The gradient
CH:CHROMATOGRAPHY_SUMMARY        	was as follows: 0-2 min 30% (B); 2-8 min 50% (B); 8-15 min 99% (B), 15-16 min
CH:CHROMATOGRAPHY_SUMMARY        	99% (B), 16-17 min 30% (B). Sample temperature was maintained at 6°C in the
CH:CHROMATOGRAPHY_SUMMARY        	autosampler and 5 µL of sample were injected into the LC-MS instrument.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Ultimate 3000
CH:COLUMN_NAME                   	Waters Acquity CSH C18 (100 x 2.1mm, 1.7um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Thermo Q-Exactive Orbitrap MS instrument was operated in both positive and
MS:MS_COMMENTS                   	negative polarities, using the following parameters: mass range 240-1200 m/z
MS:MS_COMMENTS                   	(positive) and 240-1600 (negative), spray voltage 3.8kV (ESI+) and 3kV (ESI-),
MS:MS_COMMENTS                   	sheath gas (nitrogen) flow rate 60 units, auxiliary gas (nitrogen) flow rate 25
MS:MS_COMMENTS                   	units, capillary temperature (320°C), full scan MS1 mass resolving power
MS:MS_COMMENTS                   	70,000. Data dependent fragmentation (dd-MS/MS) parameters for each polarity as
MS:MS_COMMENTS                   	follows: TopN: 10, resolution 17,500 units, maximum injection time: 25 ms,
MS:MS_COMMENTS                   	automatic gain control target: 5e5 and normalised collision energy of 20 and 25
MS:MS_COMMENTS                   	(arbitrary units) in positive polarity. TopN: 5, resolution 17,500 units,
MS:MS_COMMENTS                   	maximum injection time: 80 ms automatic gain control target: 5e5 and normalised
MS:MS_COMMENTS                   	collision energy of 20 and 30 (arbitrary units) in negative polarity. The
MS:MS_COMMENTS                   	instrument was externally calibrated to <1ppm using ESI positive and negative
MS:MS_COMMENTS                   	calibration solutions (Thermo Fisher Scientific).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Normalised peak area
MS_METABOLITE_DATA_START
Samples	VV_13_HEpG2_C1	VV_14_HEpG2_C2	VV_15_HEpG2_C3	VV_16_HEpG2_SDC1	VV_17_HEpG2_SDC2	VV_18_HEpG2_SDC3
Factors	Variable:Control	Variable:Control	Variable:Control	Variable:SDC_i	Variable:SDC_i	Variable:SDC_i
AC(12:0)	7.82	7.83	7.88	7.31	7.62	7.83
AC(14:1)	8.71	8.88	8.83	6.60	6.89	7.33
AC(14:0)	9.87	9.95	9.98	9.61	9.65	10.19
LysoPC(14:0)	8.69	8.56	8.42	9.81	9.66	9.90
LysoPC(22:6)	7.35	7.37	7.27	7.60	7.48	7.94
LysoPC(18:2)	8.76	8.57	8.63	9.02	8.83	9.13
LysoPC(15:0)	7.06	6.75	6.82	7.86	7.99	8.04
SP(d18:0)	9.50	9.55	9.38	9.39	9.34	9.58
AC(16:0)	10.59	10.70	10.79	10.83	10.75	11.19
AC(18:1)	10.09	10.40	10.23	8.94	9.11	9.44
LysoPC(17:0)	7.25	7.42	7.33	9.20	9.06	9.26
AC(18:0)	9.21	9.36	9.27	10.18	10.19	10.59
LysoPC(20:1)	8.48	8.58	8.43	9.45	9.41	9.53
BMP(44:12)	9.07	9.37	9.23	9.05	9.04	8.94
BMP(38:7)	8.08	7.94	7.90	6.16	6.02	5.73
PG(16:1_22:6)	7.29	6.65	6.53	5.72	5.82	5.78
PC(26:0)	7.66	7.56	7.47	8.57	8.46	8.69
BMP(42:9)	8.29	8.40	8.20	8.34	8.42	8.51
PC(28:1)	9.17	8.24	9.08	8.88	8.74	9.08
PI(16:1_16:1)	6.35	6.63	6.25	5.01	4.68	5.07
PC(27:0)	6.58	6.58	6.44	7.66	7.45	7.80
PC(34:5)	8.85	8.86	8.85	9.15	8.96	9.21
BMP(38:6)	7.18	7.19	7.15	8.58	8.48	8.62
PC(36:6)	10.42	10.81	10.36	8.78	8.73	8.98
SM(d32:1)	8.40	8.35	8.26	7.67	7.54	7.61
PC(40:9)	8.01	7.92	7.90	7.38	7.36	7.28
PC(44:12)	9.46	9.46	9.34	8.72	8.85	8.98
BMP(34:2)	9.35	9.42	9.07	7.29	6.72	8.16
Cer[NDS](d43:2)	6.45	6.40	6.29	4.93	5.33	4.75
PC(29:1)	7.99	7.94	7.84	8.48	8.52	8.53
SHexCer(d34:3)	7.05	7.07	6.96	7.61	7.48	7.71
PI(40:9)	10.22	10.24	10.07	10.58	10.43	10.68
PC(35:5)	8.24	8.25	8.15	8.30	8.06	8.34
PC(38:7)	13.90	13.64	13.79	12.03	12.07	12.13
PC(42:10)	10.41	10.50	10.39	9.91	10.25	10.18
PI(42:10)	10.04	10.11	9.90	9.64	9.74	9.83
SHexCer(d36:4)	8.29	8.31	8.20	7.00	6.95	7.07
BMP(38:4)	10.02	9.93	9.82	8.93	8.97	8.84
PC(44:11)	10.07	10.04	9.92	9.38	9.33	9.52
DG(32:1)	12.92	12.96	12.82	12.11	12.30	12.14
PI(32:1)	8.68	8.11	8.08	8.08	7.27	4.24
BMP(36:3)	9.22	9.23	9.02	8.05	8.35	8.15
PS(42:10)	10.86	10.87	10.78	9.86	10.15	9.90
PG(18:2_18:1)	11.11	11.57	10.88	7.88	8.10	10.33
SHexCer(d38:5)	8.82	8.84	8.69	5.59	5.83	5.88
PC(32:4)	9.25	9.35	9.40	9.41	9.59	9.28
PC(29:0)	12.08	12.12	12.01	12.21	12.31	12.39
PE(40:10)	8.94	8.91	8.89	7.32	7.44	7.35
PE(16:1_18:3)	10.76	10.82	10.80	8.82	8.97	8.78
DG(33:0)	6.95	7.00	6.95	8.40	8.26	8.38
PG(18:1_22:5)	8.28	7.99	7.96	5.59	5.54	6.81
DG(33:1)	7.75	7.63	7.51	7.66	7.45	7.43
DG(36:3)	11.86	11.71	12.04	11.42	11.47	11.64
PC(33:3)	11.19	11.14	11.09	10.48	10.44	10.55
PC(37:6)	10.86	10.85	10.79	10.24	10.35	10.50
PS(39:6)	8.77	8.68	8.70	7.78	8.47	8.43
PI(35:3)	9.35	9.42	9.21	8.71	8.54	8.77
PE(34:5)	8.66	8.63	8.44	6.35	6.70	6.91
PE(30:1)	8.57	8.14	8.30	8.48	8.14	7.85
PG(18:0_22:6)	9.14	9.24	9.11	9.72	9.83	9.97
SHexCer(d42:8)	6.49	6.58	6.42	6.84	6.81	7.07
DG(38:3)	9.18	9.41	9.48	9.29	9.32	9.43
PC(39:7)	11.54	11.47	11.43	10.55	10.51	10.70
SM(d35:2)	9.65	9.59	9.54	9.00	9.28	9.25
Plasmanyl-PC(O-28:0)	9.05	8.55	8.77	8.18	8.00	8.33
BMP(40:6)	6.25	6.00	5.66	8.61	8.51	8.84
PG(32:0)	2.38	3.25	2.36	5.15	4.80	4.96
HexCer[NS](d40:2)	9.01	9.13	8.94	8.16	7.91	8.16
SHexCer(d37:4)	7.07	7.01	6.86	6.29	6.27	6.31
PE(32:2)	10.62	10.59	10.55	9.89	9.90	10.00
PG(16:0_18:1)	8.41	8.46	8.16	9.01	8.50	8.61
BMP(34:1)	8.51	10.35	10.17	11.64	11.45	11.61
HexCer[NS](d42:2)	8.40	8.36	8.32	8.78	8.48	9.00
Plasmanyl-PC(O-30:1)	9.11	9.04	9.14	7.20	4.88	8.07
SM(d33:0)	11.38	11.32	11.34	10.95	11.21	11.18
PC(31:0)	16.55	16.71	16.52	16.10	16.06	16.30
PC(O-29:0)	7.21	7.11	7.00	6.69	6.48	6.56
PC(42:9)	11.51	11.26	11.55	10.98	11.14	11.20
PE(38:8)	8.65	8.76	8.70	9.26	9.32	9.31
PE(39:7)	10.86	10.66	10.78	9.66	9.95	9.44
PS(38:5)	11.74	11.61	11.46	11.42	11.49	11.03
PI(39:5)	8.56	8.57	8.73	8.00	8.26	8.48
HexCer[NS](d33:1)	8.10	8.11	8.23	8.72	8.89	8.67
PC(31:1)	15.14	15.03	14.63	15.22	15.32	14.94
PC(32:2)	16.62	16.89	16.77	15.73	15.83	15.76
PC(37:5)	12.45	12.38	12.35	11.52	11.53	11.58
PC(33:2)	15.37	15.31	15.24	15.01	15.11	15.03
PE(16:1_18:2)	12.56	12.41	12.34	11.71	11.68	11.74
PC(32:3)	11.37	11.88	11.30	10.70	10.75	10.85
PG(33:1)	6.79	6.81	6.91	7.48	7.54	7.57
PS(38:4)	12.58	12.30	11.38	11.02	11.21	10.65
SM(d34:1)	12.36	12.40	12.21	12.13	12.29	12.38
PC(38:6)	17.52	17.52	17.43	17.48	17.40	17.55
PI(32:0)	9.82	9.98	9.83	9.99	9.95	10.12
SHexCer(d40:6)	7.33	7.21	6.95	6.82	6.97	6.82
PE(35:4)	8.65	8.78	8.68	8.66	8.92	8.90
PI(42:9)	7.30	7.47	7.34	9.11	9.01	9.24
PI(36:3)	14.45	14.29	14.32	14.14	13.94	14.10
BMP(38:3)	9.30	9.29	9.33	9.06	9.06	8.95
PC(14:0)_16:0)	13.05	13.17	12.94	12.88	12.90	13.08
SHexCer(d36:3)	9.72	9.79	9.58	9.69	9.65	9.83
PE-NMe2(32:1)	12.29	12.19	12.18	12.77	12.95	12.77
PC(40:7)	16.38	16.51	16.37	15.64	15.60	15.85
PC(34:0)	16.34	16.53	16.28	17.83	17.81	17.96
PC(42:8)	11.07	10.96	10.98	10.85	10.92	11.21
SHexCer(d38:4)	10.74	10.77	10.55	10.49	10.41	10.57
PC(32:1)	14.79	14.78	14.64	14.19	14.31	14.19
PI(18:1)_24:5)	5.92	5.89	5.84	5.72	5.59	6.15
Cer[NDS](d18:1_14:0)	7.36	7.51	7.41	7.29	7.33	7.44
PS(16:0_16:0)	5.97	5.84	6.04	2.73	3.11	2.80
Methyl-PA(16:1_16:0)	5.37	5.00	5.56	4.01	3.83	3.99
PI(37:3)	10.38	10.29	10.65	10.40	10.39	10.08
PC(34:3)	15.83	15.51	15.65	15.46	15.57	15.46
SHexCer(d42:7)	5.48	6.46	6.39	7.13	7.03	7.24
PC(16:1_18:1)	19.29	19.51	19.15	18.25	18.30	18.20
PE(35:3)	9.75	10.20	10.06	9.30	9.44	9.62
PC(34:4)	13.06	13.26	12.99	10.33	10.39	10.43
PI(39:4)	10.62	10.63	10.54	9.77	9.87	9.56
PG(16:0)_16:0)	6.43	6.51	6.12	6.19	6.22	6.46
PC(16:1_16:0)	13.27	13.06	13.03	13.76	13.70	13.85
PI(33:0)	6.85	6.80	6.66	7.42	6.98	7.44
Cer[NDS](d18:2_16:0)	6.72	6.75	6.32	6.52	6.02	6.44
PS(37:3)	8.89	8.93	8.93	8.72	8.66	8.88
HexCer[NS](d34:1)	12.11	12.18	12.03	12.67	12.95	12.83
PC(35:1)	16.94	16.61	17.01	16.23	16.04	16.29
PC(34:2)	13.22	13.67	13.02	13.39	13.47	13.49
SHexCer(d40:5)	10.31	10.15	10.15	10.12	9.92	10.01
PC(O-40:7)	8.84	8.93	8.64	7.80	8.08	8.04
PE(34:4)	8.95	8.94	8.63	8.19	8.12	8.34
PS(40:5)	13.75	13.74	13.61	13.74	13.70	13.89
PC(35:4)	11.14	10.86	10.85	10.70	10.70	10.77
PC(35:3)	14.93	14.91	14.85	14.56	14.71	14.75
PC(36:3)	18.24	18.34	18.19	18.48	18.53	18.53
SHexCer(d37:3)	6.09	6.30	5.99	6.00	6.09	6.20
PC(37:4)	14.71	14.84	14.67	13.78	13.90	13.94
Cer[NDS](d18:0_14:0)	6.70	6.85	6.69	6.50	6.65	6.88
PI(42:6)	6.35	7.36	6.77	8.79	8.40	8.85
PC(36:4)	15.53	15.36	14.94	14.90	14.62	14.88
Plasmanyl-PC(O-30:0)	10.29	10.22	10.28	9.35	9.30	9.41
SM(d37:2)	9.18	9.49	9.29	8.91	9.09	8.86
PS(41:6)	8.02	8.19	8.42	8.60	8.41	8.75
PC(33:1)	18.26	18.27	18.21	18.14	18.21	18.28
SHexCer(d39:4)	8.70	8.71	8.49	8.73	8.70	8.88
PC(36:5)	15.59	15.54	15.46	15.42	15.43	15.55
Plasmanyl-PC(O-38:6)	10.45	10.64	10.21	9.59	10.39	10.26
Cer[NDS](d17:1_16:0)	7.28	7.39	7.22	7.27	7.28	7.43
PC(35:2)	17.73	17.66	17.43	17.00	17.26	17.30
SHexCer(d41:5)	8.02	7.81	7.73	7.56	7.53	7.61
GlcCer[NDS](d34:0)	5.27	5.36	5.18	6.10	6.30	6.36
PE(38:6)	11.61	11.36	11.16	10.47	10.57	10.48
Plasmanyl-PC(O-32:1)	11.57	11.87	11.62	10.48	10.58	10.68
PC(39:5)	11.11	11.92	11.13	11.58	11.62	11.73
Cer[NS](d34:2)	6.74	6.74	6.64	6.68	6.57	6.98
PI(34:0)	11.12	11.27	11.16	11.01	10.94	11.22
PC(37:0)	4.90	4.81	4.76	11.63	11.41	11.67
PC(37:3)	13.31	13.14	13.20	13.45	13.34	13.54
PE(40:8)	8.75	8.77	8.73	9.26	9.13	9.14
Plasmanyl-PC(O-31:1)	9.60	9.66	9.54	9.24	9.30	9.37
PC(38:3)	15.16	16.01	15.81	16.53	16.60	16.58
PC(44:8)	8.89	8.43	8.72	8.32	7.91	8.69
PC(38:4)	17.45	17.62	17.51	16.82	16.87	17.01
Plasmanyl-PC(O-31:0)	7.51	7.18	7.16	7.54	6.64	7.74
SHexCer(d42:6)	8.54	8.58	8.49	8.46	8.63	8.52
PC(38:5)	14.49	14.57	14.31	14.79	14.88	15.22
PE(39:5)	11.19	10.68	10.99	10.65	10.49	10.28
SHexCer(d38:3)	9.59	9.63	9.43	9.48	9.51	9.48
PC(16:0_16:0)	13.31	13.33	13.17	13.00	13.05	13.11
PS(42:6)	10.00	10.09	9.86	11.55	10.00	11.66
SHexCer(d40:4)	11.05	11.07	10.94	10.95	10.99	11.04
PC(39:3)	10.33	10.28	10.33	10.04	10.24	10.11
PC(16:0_18:1)	15.33	15.33	15.17	15.19	15.23	15.33
Methyl-PA(16:0_18:1)	6.56	6.57	6.45	6.61	6.46	6.55
PC(39:6)	11.11	11.14	11.04	10.36	10.69	10.92
PC(18:1_18:1)	14.45	14.35	14.23	13.85	14.32	13.46
SHexCer(d42:5)	10.57	9.97	10.47	10.26	10.62	9.88
PC(35:6)	9.16	9.17	9.09	9.06	9.13	9.01
PC(40:4)	13.76	13.24	12.55	13.45	13.39	13.41
Cer[NDS](d34:1)	11.27	11.19	11.10	11.27	11.15	11.41
PI(17:0_18:0)	6.26	6.16	6.00	7.20	6.90	7.31
PS(20:3_20:3)	7.11	6.98	6.83	6.12	6.48	6.46
DG(32:2)	9.45	9.78	9.38	7.90	7.84	8.66
PI(40:3)	10.03	10.10	10.05	8.61	9.18	9.24
PC(33:0)	16.68	16.67	16.62	16.57	16.64	16.68
SHexCer(d39:3)	7.18	7.12	7.01	7.15	7.23	7.29
PC(40:5)	13.71	13.75	13.68	13.56	13.48	13.60
PS(39:3)	8.33	7.83	8.09	7.68	7.92	8.16
PC(40:6)	14.96	15.12	14.89	14.11	14.33	14.46
PS(42:5)	9.58	9.79	9.51	9.71	10.20	9.92
PI(19:0)_20:3)	7.57	7.59	7.39	6.91	6.73	6.90
PE(36:4)	11.00	11.02	10.89	10.32	10.40	10.40
Cer[NDS](d18:2_18:0)	6.95	6.90	6.76	7.27	7.24	7.39
GlcCer[NDS](d36:1)	6.63	6.46	6.26	7.63	7.64	7.71
HexCer[NS](d36:1)	10.59	10.64	10.47	11.43	11.49	11.53
SM(d42:4)	11.15	11.19	11.22	10.01	10.09	10.07
PC(41:6)	9.94	9.67	9.51	9.51	9.47	9.47
PC(42:4)	10.39	10.46	10.23	9.99	10.05	9.45
PG(18:0_18:0)	1.75	1.91	2.20	6.01	5.76	6.32
PC(39:4)	12.20	12.23	11.54	11.50	11.53	11.55
PE(40:7)	11.09	11.13	10.89	10.88	10.85	10.91
PE(41:6)	9.34	9.21	9.36	8.43	9.75	8.57
SM(d39:2)	11.32	11.40	11.19	10.28	10.48	10.44
PC(42:5)	10.28	10.47	10.08	11.12	10.97	11.15
PC(O-36:5)	11.82	11.72	12.08	10.96	11.65	11.45
SM(d37:1)	6.83	6.77	6.77	6.67	6.63	6.81
PC(42:6)	10.78	10.29	10.32	10.64	10.81	11.02
Cer[NDS](d18:0_16:0)	9.36	9.39	9.21	9.70	9.82	10.03
SHexCer(d41:4)	7.57	7.57	7.34	8.16	8.11	8.25
PC(42:7)	12.32	12.56	12.35	12.33	12.36	12.57
Plasmanyl-PC(O-32:0)	11.31	11.49	11.20	10.58	10.50	10.59
SM(d41:3)	11.07	11.16	11.02	10.27	10.41	10.33
Plasmanyl-PC(O-40:6)	8.79	9.03	8.44	7.93	8.11	8.11
PE(38:3)	12.91	12.92	12.60	11.66	11.36	11.85
PC(37:2)	15.56	15.62	15.49	15.60	15.55	15.57
PC(36:2)	9.07	9.01	8.93	9.06	9.26	9.40
PE(17:0_18:1)	11.96	11.72	10.90	11.52	11.55	12.32
Plasmanyl-PC(O-34:1)	12.83	12.93	12.60	12.12	12.21	12.21
PC(44:1)0	7.23	7.28	7.11	6.79	6.96	6.94
Plasmenyl-PC(P-34:0)	6.15	6.13	6.03	5.38	5.47	5.47
PI(39:2)	6.87	6.87	6.77	7.84	7.56	7.82
PE(39:6)	9.55	9.56	9.46	9.53	9.60	9.66
DG(16:1_17:1)	7.17	7.23	7.11	6.56	6.35	6.42
PE(39:4)	7.67	7.58	7.53	7.07	7.19	7.14
GlcCer[NDS](d36:0)	4.30	4.29	4.08	5.60	5.68	5.89
Plasmanyl-PC(O-36:2)	9.27	10.49	10.21	9.23	9.65	9.94
Cer[NDS](d35:1)	5.60	5.65	5.46	6.30	6.23	6.43
PC(44:6)	8.59	9.12	8.84	9.43	8.89	8.52
PE(33:0)	7.52	6.80	7.75	7.28	6.96	7.39
PC(O-33:0)	8.17	8.25	7.97	7.20	7.27	7.24
PE(42:8)	7.87	7.71	7.83	7.93	7.88	8.03
PI(20:3_20:0)	6.07	6.07	5.73	5.62	5.42	5.86
DG(16:0_18:3)	8.46	8.40	8.41	8.18	8.32	8.46
SM(d39:1)	8.63	8.59	8.56	7.41	7.89	7.64
PC(44:7)	9.59	9.05	9.55	9.96	9.84	9.78
PC(O-40:6)	9.16	9.31	9.05	7.85	7.80	8.01
HexCer[NS](d37:1)	7.48	7.48	7.01	7.78	7.98	7.89
PE(37:4)	8.48	8.58	8.65	8.76	8.76	9.01
PE(38:5)	14.44	14.53	14.11	14.67	14.62	14.68
PE-NMe(36:2)	7.85	7.95	7.68	7.37	7.38	7.37
PE(40:6)	13.07	13.03	13.03	11.94	12.14	12.08
PG(16:0_18:0)	2.18	2.52	2.53	7.18	6.71	7.16
SHexCer(d40:3)	7.96	7.99	7.74	9.24	9.15	9.30
DG(14:0_16:0)	10.02	10.05	9.75	11.14	11.21	11.11
PI(18:0_20:2)	11.38	11.87	11.74	12.51	12.16	12.66
DG(36:4)	8.73	9.22	8.97	9.71	10.12	9.85
SHexCer(d42:4)	10.17	10.19	10.05	10.69	10.69	10.75
SHexCer(d44:5)	8.03	8.05	7.92	6.98	7.56	7.44
PC(46:7)	8.52	8.38	8.13	8.56	8.60	8.27
PI(34:1)	12.45	12.74	12.31	13.37	13.15	13.35
Plasmanyl-PC(O-38:3)	8.48	7.64	8.30	6.60	8.18	7.88
DG(16:0_22:5)	10.30	10.35	10.34	10.17	10.38	10.31
DG(16:1_18:1)	13.17	13.22	13.21	11.47	11.79	11.65
DG(18:1_22:5)	8.01	7.90	7.76	7.47	7.65	7.79
PI(34:2)	10.24	10.06	10.26	10.17	10.17	10.07
PE(37:2)	8.93	8.35	8.25	9.81	9.09	8.89
PE(36:3)	8.47	8.36	8.17	8.62	8.42	8.66
Cer[NDS](d18:1_18:0)	9.22	9.20	9.06	9.87	9.83	10.07
PC(O-42:6)	8.77	8.95	8.69	8.10	8.21	8.17
DG(34:2)	12.26	12.22	11.90	12.59	12.74	12.60
PI(39:3)	9.42	9.42	9.30	9.05	8.93	9.03
DG(15:0_16:0)	6.26	6.34	6.01	7.35	7.04	7.12
PC(37:1)	13.01	13.13	12.88	13.05	13.19	13.18
PC(48:8)	7.30	6.35	6.96	7.61	7.62	7.82
PE(38:4)	11.54	11.69	11.47	11.94	11.97	12.04
PC(41:4)	8.21	8.23	8.10	7.77	7.64	7.81
PE(38:2)	12.23	11.34	12.21	11.47	11.56	11.62
Plasmanyl-PC(O-38:4)	9.61	9.52	9.37	8.75	8.83	8.85
HexCer[NS](d38:1)	11.19	11.32	11.11	12.11	12.08	12.21
DG(38:4)	7.92	7.61	7.71	7.44	7.60	6.39
GlcCer[NDS](d18:0_20:1)	6.91	6.89	6.78	7.80	7.85	7.90
Plasmanyl-PC(O-38:5)	10.63	10.10	10.51	9.67	9.56	9.77
Cer[NS](d40:3)	8.33	8.45	8.25	7.03	6.69	7.05
Plasmanyl-PC(O-42:6)	9.44	9.55	9.50	8.84	8.89	8.88
SM(d42:2)	10.53	10.77	10.38	8.63	8.97	8.83
DG(31:0)	6.30	6.30	6.09	7.60	7.68	7.65
PC(39:2)	10.61	10.65	10.54	10.59	10.57	10.61
PE-NMe(34:0)	5.60	5.73	5.50	6.23	6.20	6.35
Plasmanyl-PC(O-40:4)	7.73	7.74	7.60	6.53	6.50	6.57
SM(d43:3)	9.53	10.47	9.46	9.67	9.71	9.01
Plasmanyl-PC(O-34:0)	8.73	8.76	8.59	8.35	8.23	8.38
PE(39:3)	8.00	8.04	7.80	7.88	7.77	8.29
DG(17:1_18:1)	9.28	9.22	9.08	9.28	8.87	9.32
Plasmanyl-PC(O-36:1)	9.38	9.42	9.16	8.64	8.79	8.80
Plasmanyl-PC(O-40:5)	7.75	7.59	7.75	7.23	7.00	7.17
Plasmanyl-PC(O-42:5)	8.53	8.90	8.44	8.07	8.08	8.09
PS(33:1)	10.01	9.96	9.99	9.55	9.49	9.55
PC(40:3)	8.74	8.95	8.78	9.43	9.46	9.58
HexCer[NS](d39:1)	8.66	8.64	8.50	9.26	9.30	9.35
SM(d39:0)	9.81	9.82	9.69	9.79	9.71	9.93
GlcCer[NDS](d39:1)	4.85	4.84	4.74	5.45	5.55	5.65
PE(41:4)	6.99	7.06	6.97	6.77	7.04	7.06
PC(36:0)	11.29	11.36	11.17	13.64	13.42	13.72
PC(38:1)	13.39	13.44	13.30	14.46	14.40	14.57
PC(40:2)	12.40	12.59	12.47	12.33	12.57	12.50
DG(16:0_16:0)	12.16	12.12	11.93	13.99	13.98	13.85
SM(d44:3)	9.45	9.50	9.31	8.63	8.62	8.58
PE(46:7)	7.46	7.44	7.36	5.74	6.06	5.70
PC(44:5)	7.64	7.55	7.57	7.27	7.23	7.43
Plasmanyl-PC(O-40:3)	11.50	11.63	11.30	11.44	11.55	11.73
DG(34:1)	14.82	14.86	14.70	15.26	15.46	15.33
DG(18:0)_22:5)	7.59	7.52	7.55	8.37	8.51	8.54
Plasmanyl-PC(O-38:2)	9.01	9.14	9.04	9.61	9.55	9.81
DG(18:1_18:1)	14.16	14.22	13.95	13.95	14.11	14.05
PC(42:3)	9.81	9.74	9.73	8.88	8.72	9.14
PE(36:0)	6.26	6.44	6.39	7.62	7.59	7.90
PS(35:1)	10.09	10.08	10.07	10.48	10.01	10.46
PE(40:4)	7.50	7.65	7.38	8.03	7.81	8.16
Cer[NDS](d18:1)_20:0)	9.03	9.01	8.85	9.31	9.24	9.47
PS(40:6)	10.32	10.10	10.23	9.40	9.50	9.49
GlcCer[NDS](d42:2)	8.10	8.04	7.95	7.39	7.56	7.49
SHexCer(d44:6)	7.42	7.40	7.16	7.86	8.09	8.14
HexCer[NS](d40:1)	12.05	12.00	11.94	13.67	12.81	13.71
GlcCer[NDS](d18:1_22:0)	8.48	8.47	8.31	9.51	9.54	9.72
SM(d40:0)	12.49	12.39	12.34	12.85	12.48	9.74
Cer[NDS](d18:2_24:1)	8.42	8.38	8.19	7.43	7.43	7.52
Cer[NDS](d18:2_22:0)	7.17	7.30	7.01	7.65	7.64	7.76
PC(41:2)	7.95	7.95	7.51	8.07	7.64	7.88
SM(d35:0)	11.09	11.19	11.04	11.33	11.31	11.53
DG(17:0_18:1)	7.83	8.10	8.19	9.30	9.18	9.23
Plasmanyl-PC(O-36:0)	8.11	7.98	8.04	8.10	7.74	7.96
SM(d43:1)	8.42	8.42	8.44	7.43	7.81	7.90
Cer[NDS](d40:1)	6.55	6.38	6.41	5.43	5.79	5.90
Plasmanyl-PC(O-38:1)	8.60	8.48	8.59	8.09	8.11	7.84
Plasmanyl-PC(O-42:4)	7.76	7.72	7.79	7.17	6.96	6.60
GlcCer[NDS](d40:0)	5.54	5.60	5.32	6.91	6.56	7.07
Cer[NDS](d17:1_24:1)	7.53	7.51	7.34	6.60	6.61	6.77
Cer[NS](d42:3)	8.04	8.12	8.22	7.88	7.67	7.83
HexCer[NS](d41:1)	10.29	10.34	10.36	10.82	10.59	10.74
GlcCer[NDS](d41:1)	6.73	6.68	6.61	7.03	7.16	7.24
PC(38:0)	7.21	7.25	9.26	10.28	8.54	10.21
SM(d44:2)	10.36	10.37	10.41	10.12	10.01	10.16
PC(42:2)	9.55	9.56	9.59	9.71	9.40	9.51
DG(16:0_18:0)	9.90	9.96	9.93	13.95	13.56	13.65
DG(36:1)	11.15	11.23	11.23	12.98	12.78	12.86
DG(18:1_20:1)	10.22	10.29	10.34	10.77	10.64	10.60
SM(d37:0)	9.97	10.01	9.85	9.96	9.94	10.24
HexCer[NS](d42:1)	10.99	11.03	10.97	12.35	11.57	11.72
GlcCer[NDS](d42:1)	7.91	7.86	7.61	8.43	8.46	8.73
SM(d42:0)	11.05	11.07	10.82	11.47	10.98	11.48
Cer[NS](d44:3)	7.68	7.46	7.65	6.25	6.19	6.17
Plasmanyl-PC(O-38:0)	7.61	7.69	7.49	7.54	7.37	7.65
Cer[NDS](d18:0_24:1)	8.61	8.77	8.62	8.15	8.17	8.37
Cer[NDS](d18:0_22:0)	7.69	7.75	7.57	8.57	8.48	8.95
GlcCer[NDS](d42:0)	4.59	4.37	4.38	5.68	5.41	5.92
SM(d41:1)	10.91	11.12	10.83	10.89	10.98	11.08
Cer[NDS](d18:1_23:0)	8.45	8.41	8.29	8.36	8.13	8.52
SM(d44:1)	5.96	7.62	7.52	8.09	7.00	7.43
Cer[NDS](d18:1_24:0)	9.91	9.86	9.03	10.13	9.94	10.24
Cer[NDS](d43:1)	5.46	5.48	4.66	4.62	4.51	5.53
Cer[NDS](d18:0_24:0)	7.52	7.50	6.63	7.45	7.23	8.44
CL(16:1)_16:1_16:1_16:1)	10.57	10.54	9.45	8.34	9.54	9.56
CL(16:1)_18:2_16:1_16:1)	10.83	10.81	9.73	8.92	10.07	10.07
CL(68:6)	10.30	10.25	8.82	7.44	9.65	9.87
TG(40:0)	8.06	8.01	8.55	8.96	8.08	8.10
CL(16:1_17:1_16:1_16:1)	8.17	8.26	7.06	6.48	6.86	7.58
CL(70:7)	8.97	9.03	7.50	7.74	7.30	8.83
Cer[NDS](d44:1)	4.07	4.06	3.17	4.72	4.50	5.46
CL(67:5)	8.14	8.20	7.12	6.41	6.76	7.85
CL(72:8)	7.60	7.52	6.26	6.08	5.35	7.60
CL(69:6)	7.30	7.23	6.35	6.04	6.12	7.29
TG(48:4)	11.25	11.29	11.61	8.99	9.29	9.44
Cer[NDS](d44:0)	4.06	3.58	3.38	4.56	4.21	5.29
TG(50:6)	9.46	9.81	9.80	9.30	9.26	9.51
CL(68:5)	12.00	10.41	10.82	10.35	10.38	11.82
TG(43:1)	9.34	9.33	9.43	8.57	8.60	8.70
TG(16:1_16:1_22:6)	10.46	10.70	10.93	8.74	8.98	9.20
TG(45:2)	10.27	10.16	9.89	8.91	8.86	8.97
CL(70:6)	10.41	9.52	9.98	9.75	9.79	11.02
TG(47:3)	9.78	9.40	9.20	7.87	7.99	7.98
CL(67:4)	8.33	8.30	8.41	8.05	8.10	9.15
CL(69:5)	7.73	7.71	7.78	7.73	7.79	8.67
D5TG(14:0_14:0_16:1)	8.10	8.12	7.71	7.99	7.83	8.05
TG(50:5)	11.21	11.11	13.21	9.41	11.76	8.57
CL(68:4)	11.71	11.64	11.62	11.35	11.38	11.40
TG(43:0)	8.07	7.72	6.55	7.88	8.02	7.42
TG(49:4)	9.39	9.29	9.32	8.11	8.23	8.53
CL(70:5)	10.96	10.92	10.89	11.04	11.06	11.00
TG(50:4)	14.97	13.78	14.22	12.36	8.74	12.60
CL(72:6)	8.54	8.47	8.52	8.67	9.22	9.31
TG(14:0_16:0_22:6)	8.14	7.95	7.74	8.51	8.75	8.99
TG(54:7)	13.61	13.53	13.14	12.53	12.55	12.63
CL(69:4)	8.17	7.98	8.13	8.19	8.16	8.17
TG(44:1)	7.79	8.66	8.09	12.10	11.72	11.83
TG(18:2_18:2_20:4)	13.29	13.22	12.96	11.75	12.13	11.76
TG(45:1)	11.89	11.77	11.38	11.15	10.97	11.14
CL(71:5)	6.69	6.52	6.76	7.15	7.09	6.55
CL(66:2)	6.42	6.13	6.40	6.77	6.18	6.53
CE(20:5)	7.49	7.30	7.24	7.20	7.25	7.46
TG(51:4)	11.98	11.98	11.76	10.28	10.50	10.55
TG(50:0)	12.47	12.64	13.30	12.56	11.97	11.82
CL(18:1_18:1_16:1_18:1)	10.21	10.10	10.28	10.36	10.10	10.20
TG(54:6)	13.83	13.84	13.56	12.82	12.79	12.89
TG(54:5)	6.82	6.88	6.59	5.78	5.88	5.19
CL(18:1_18:1_18:2_18:1)	8.40	8.40	8.61	8.87	8.59	8.70
CE(22:6)	10.24	10.12	10.07	10.21	10.26	10.37
TG(53:5)	11.73	11.61	11.07	9.98	10.45	9.38
TG(52:4)	17.05	16.78	16.74	15.31	15.32	15.42
TG(45:0)	10.39	10.41	10.27	10.62	10.38	10.46
TG(55:6)	11.40	11.10	10.65	10.29	10.20	10.31
TG(47:1)	14.28	14.22	13.70	13.79	13.51	13.70
TG(49:2)	15.81	15.79	15.49	14.66	14.52	14.42
CL(68:2)	7.63	7.37	7.65	8.33	7.76	8.01
CE(20:4)	8.88	8.88	8.54	8.51	8.53	8.73
CE(22:5)	7.28	7.19	6.77	6.91	6.84	7.12
TG(46:0)	13.39	13.57	12.85	13.22	13.03	12.86
D5TG(16:0_18:1)_18:1)	11.92	11.68	11.47	11.05	11.17	10.94
TG(55:5)	12.01	12.16	12.32	11.25	11.28	11.48
CE(16:1)	9.68	9.64	9.44	8.97	8.98	9.48
TG(52:3)	13.18	12.82	12.83	12.72	12.81	12.91
CE(20:3)	7.69	7.50	7.46	7.21	7.36	7.48
TG(49:1)	14.18	13.64	13.28	13.08	13.03	13.22
TG(57:6)	11.25	11.31	10.82	10.78	10.31	10.76
TG(47:0)	12.60	12.33	11.79	12.52	12.39	12.35
CE(18:2)	9.89	9.77	9.68	9.47	9.28	9.63
TG(58:6)	14.27	14.27	13.80	13.26	13.76	14.06
TG(54:4)	15.22	14.78	14.45	14.37	13.26	14.31
TG(55:4)	13.66	13.80	13.60	12.53	12.49	12.73
TG(48:0)	13.33	13.57	13.41	12.83	12.74	12.48
TG(52:2)	12.71	12.79	12.34	12.41	12.85	12.92
TG(49:0)	12.78	12.76	12.40	12.69	12.55	12.30
TG(58:5)	13.54	13.39	13.24	13.43	13.22	10.99
D5TG(54:1)	15.15	15.16	14.88	14.32	14.21	14.42
Alkenyl-TG(P-50:1)	7.38	7.38	6.96	7.41	7.33	7.46
Alkenyl-TG(P-48:0)	6.59	6.37	6.17	6.91	6.78	6.92
TG(18:0_18:0_22:6)	13.95	13.92	13.82	12.28	13.51	13.35
CE(18:1)	13.45	13.32	13.18	12.73	12.60	13.04
TG(60:6)	12.30	12.38	12.09	12.22	11.55	12.04
CE(16:0)	8.09	7.90	7.47	7.48	7.20	7.09
CE(20:2)	9.19	9.21	8.92	8.59	8.42	8.57
TG(52:5)	13.85	13.64	13.73	12.25	12.48	12.43
TG(56:4)	12.67	12.93	13.10	12.89	12.82	12.82
CE(24:4)	7.58	7.64	7.42	6.87	7.23	7.45
TG(58:4)	13.92	13.75	13.54	13.06	12.81	12.75
TG(55:2)	13.41	13.14	12.48	13.31	13.02	13.10
Alkenyl-TG(P-18:0_16:0_18:1)	7.41	7.54	7.02	7.57	7.27	7.68
Alkenyl-TG(P-50:0)	7.28	7.27	6.77	7.76	7.40	7.53
CE(20:1)	8.69	8.70	8.16	8.14	7.69	8.12
CE(22:2)	7.15	7.11	6.74	6.37	6.08	6.48
CE(18:0)	6.68	6.77	6.26	7.22	6.57	6.56
TG(52:0)	11.11	11.30	11.48	10.89	10.12	9.59
TG(53:0)	7.90	7.95	7.55	8.52	8.13	7.95
TG(62:4)	9.24	9.20	8.86	7.94	7.75	8.25
TG(56:1)	11.04	11.05	10.55	10.62	10.30	10.05
TG(54:0)	7.92	7.29	8.07	6.83	5.63	5.14
TG(62:3)	9.39	9.26	8.92	8.29	7.92	8.16
TG(60:2)	10.40	10.50	10.06	9.26	8.90	9.14
TG(58:1)	9.86	9.87	9.28	8.94	8.48	8.38
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	RefMet name	Formula	Mass	REGNO
AC(12:0)	CAR(12:0)	C19H37NO4	343.2723	38095
AC(14:1)	CAR(14:1)	C21H39NO4	369.2879
AC(14:0)	CAR(14:0)	C21H41NO4	371.3036	38728
LysoPC(14:0)	LPC(14:0)	C22H46NO7P	467.3012	14991
LysoPC(22:6)	LPC(22:6)	C30H50NO7P	567.3325
LysoPC(18:2)	LPC(18:2)	C26H50NO7P	519.3325
LysoPC(15:0)	LPC(15:0)	C23H48NO7P	481.3168
SP(d18:0)
AC(16:0)	CAR(16:0)	C23H45NO4	399.3349	4484
AC(18:1)	CAR(18:1)	C25H47NO4	425.3505
LysoPC(17:0)	LPC(17:0)	C25H52NO7P	509.3481
AC(18:0)	CAR(18:0)	C25H49NO4	427.3662	4488
LysoPC(20:1)	LPC(20:1)	C28H56NO7P	549.3794
BMP(44:12)
BMP(38:7)
PG(16:1_22:6)	PG(16:1_22:6)	C44H73O10P	792.494138
PC(26:0)	PC(26:0)	C34H68NO8P	649.4683
BMP(42:9)
PC(28:1)	PC(28:1)	C36H70NO8P	675.4839
PI(16:1_16:1)	PI(16:1/16:1)	C41H75O13P	806.494533
PC(27:0)	PC(27:0)	C35H70NO8P	663.4839
PC(34:5)	PC(34:5)	C42H74NO8P	751.5152
BMP(38:6)
PC(36:6)	PC(36:6)	C44H76NO8P	777.5309
SM(d32:1)	SM(d32:1)	C37H75N2O6P	674.5363
PC(40:9)	PC(40:9)	C48H78NO8P	827.5465
PC(44:12)	PC(44:12)	C52H80NO8P	877.5622
BMP(34:2)
Cer[NDS](d43:2)
PC(29:1)	PC(29:1)	C37H72NO8P	689.4996
SHexCer(d34:3)
PI(40:9)	PI(40:9)	C49H77O13P	904.5102
PC(35:5)	PC(35:5)	C43H76NO8P	765.5309
PC(38:7)	PC(38:7)	C46H78NO8P	803.5465
PC(42:10)	PC(42:10)	C50H80NO8P	853.5622
PI(42:10)	PI(42:10)	C51H79O13P	930.5258
SHexCer(d36:4)
BMP(38:4)
PC(44:11)	PC(44:11)	C52H82NO8P	879.5778
DG(32:1)	DG(32:1)	C35H66O5	566.4910
PI(32:1)	PI(32:1)	C41H77O13P	808.5102
BMP(36:3)
PS(42:10)	PS(42:10)	C48H74NO10P	855.5050
PG(18:2_18:1)	PG(18:1_18:2)	C42H77O10P	772.525438
SHexCer(d38:5)
PC(32:4)	PC(32:4)	C40H72NO8P	725.4996
PC(29:0)	PC(29:0)	C37H74NO8P	691.5152
PE(40:10)	PE(40:10)	C45H70NO8P	783.4839
PE(16:1_18:3)	PE(16:1_18:3)	C39H70NO8P	711.483907
DG(33:0)	DG(33:0)	C36H70O5	582.5223
PG(18:1_22:5)	PG(18:1_22:5)	C46H79O10P	822.541088
DG(33:1)	DG(33:1)	C36H68O5	580.5067
DG(36:3)	DG(36:3)	C39H70O5	618.5223
PC(33:3)	PC(33:3)	C41H76NO8P	741.5309
PC(37:6)	PC(37:6)	C45H78NO8P	791.5465
PS(39:6)	PS(39:6)	C45H76NO10P	821.520687
PI(35:3)	PI(35:3)	C44H79O13P	846.525833
PE(34:5)	PE(34:5)	C39H68NO8P	709.4683
PE(30:1)	PE(30:1)	C35H68NO8P	661.4683
PG(18:0_22:6)	PG(18:0_22:6)	C46H79O10P	822.5411
SHexCer(d42:8)
DG(38:3)	DG(38:3)	C41H74O5	646.5536
PC(39:7)	PC(39:7)	C47H80NO8P	817.5622
SM(d35:2)	SM(d35:2)	C40H79N2O6P	714.5676
Plasmanyl-PC(O-28:0)	PC(O-28:0)	C36H74NO7P	663.5203
BMP(40:6)
PG(32:0)	PG(32:0)	C38H75O10P	722.509788
HexCer[NS](d40:2)
SHexCer(d37:4)
PE(32:2)	PE(32:2)	C37H70NO8P	687.4839
PG(16:0_18:1)	PG(16:0_18:1)	C40H77O10P	748.5254
BMP(34:1)
HexCer[NS](d42:2)
Plasmanyl-PC(O-30:1)	PC(P-30:0)/PC(O-30:1)	C38H76NO7P	689.5359
SM(d33:0)	SM(d33:0)	C38H79N2O6P	690.5676
PC(31:0)	PC(31:0)	C39H78NO8P	719.5465
PC(O-29:0)	PC(O-29:0)	C37H76NO7P	677.535942
PC(42:9)	PC(42:9)	C50H82NO8P	855.5778
PE(38:8)	PE(38:8)	C43H70NO8P	759.4839
PE(39:7)	PE(39:7)	C44H74NO8P	775.515207
PS(38:5)	PS(38:5)	C44H76NO10P	809.520687
PI(39:5)	PI(39:5)	C48H83O13P	898.557133
HexCer[NS](d33:1)
PC(31:1)	PC(31:1)	C39H76NO8P	717.5309
PC(32:2)	PC(32:2)	C40H76NO8P	729.5309
PC(37:5)	PC(37:5)	C45H80NO8P	793.5622
PC(33:2)	PC(33:2)	C41H78NO8P	743.5465
PE(16:1_18:2)	PE(16:1_18:2)	C39H72NO8P	713.499557
PC(32:3)	PC(32:3)	C40H74NO8P	727.5152
PG(33:1)	PG(33:1)	C39H75O10P	734.5098
PS(38:4)	PS(38:4)	C44H78NO10P	811.536337
SM(d34:1)	SM(d34:1)	C39H79N2O6P	702.5676
PC(38:6)	PC(38:6)	C46H80NO8P	805.5622
PI(32:0)	PI(32:0)	C41H79O13P	810.5258
SHexCer(d40:6)
PE(35:4)	PE(35:4)	C40H72NO8P	725.499557
PI(42:9)	PI(42:9)	C51H81O13P	932.5415
PI(36:3)	PI(36:3)	C45H81O13P	860.5415
BMP(38:3)
PC(14:0)_16:0)	PC(14:0_16:0)	C38H76NO8P	705.5309
SHexCer(d36:3)
PE-NMe2(32:1)
PC(40:7)	PC(40:7)	C48H82NO8P	831.5778
PC(34:0)	PC(34:0)	C42H84NO8P	761.5935
PC(42:8)	PC(42:8)	C50H84NO8P	857.5935
SHexCer(d38:4)
PC(32:1)	PC(32:1)	C40H78NO8P	731.5465
PI(18:1)_24:5)
Cer[NDS](d18:1_14:0)
PS(16:0_16:0)	PS(16:0/16:0)	C38H74NO10P	735.5050	16433
Methyl-PA(16:1_16:0)
PI(37:3)	PI(37:3)	C46H83O13P	874.5571
PC(34:3)	PC(34:3)	C42H78NO8P	755.5465
SHexCer(d42:7)
PC(16:1_18:1)	PC(16:1_18:1)	C42H80NO8P	757.562157
PE(35:3)	PE(35:3)	C40H74NO8P	727.515207
PC(34:4)	PC(34:4)	C42H76NO8P	753.5309
PI(39:4)	PI(39:4)	C48H85O13P	900.572783
PG(16:0)_16:0)
PC(16:1_16:0)	PC(16:0_16:1)	C40H78NO8P	731.5465
PI(33:0)	PI(33:0)	C42H81O13P	824.541483
Cer[NDS](d18:2_16:0)
PS(37:3)	PS(37:3)	C43H78NO10P	799.536337
HexCer[NS](d34:1)
PC(35:1)	PC(35:1)	C43H84NO8P	773.5935
PC(34:2)	PC(34:2)	C42H80NO8P	757.5622
SHexCer(d40:5)
PC(O-40:7)	PC(P-40:6)/PC(O-40:7)	C48H84NO7P	817.5985
PE(34:4)	PE(34:4)	C39H70NO8P	711.4839
PS(40:5)	PS(40:5)	C46H80NO10P	837.551987
PC(35:4)	PC(35:4)	C43H78NO8P	767.5465
PC(35:3)	PC(35:3)	C43H80NO8P	769.5622
PC(36:3)	PC(36:3)	C44H82NO8P	783.5778
SHexCer(d37:3)
PC(37:4)	PC(37:4)	C45H82NO8P	795.5778
Cer[NDS](d18:0_14:0)
PI(42:6)	PI(42:6)	C51H87O13P	938.5884
PC(36:4)	PC(36:4)	C44H80NO8P	781.5622
Plasmanyl-PC(O-30:0)	PC(O-30:0)	C38H78NO7P	691.5516
SM(d37:2)	SM(d37:2)	C42H83N2O6P	742.5989
PS(41:6)	PS(41:6)	C47H80NO10P	849.5520
PC(33:1)	PC(33:1)	C41H80NO8P	745.5622
SHexCer(d39:4)
PC(36:5)	PC(36:5)	C44H78NO8P	779.5465
Plasmanyl-PC(O-38:6)	PC(P-38:5)/PC(O-38:6)	C46H82NO7P	791.5829
Cer[NDS](d17:1_16:0)
PC(35:2)	PC(35:2)	C43H82NO8P	771.5778
SHexCer(d41:5)
GlcCer[NDS](d34:0)
PE(38:6)	PE(38:6)	C43H74NO8P	763.5152
Plasmanyl-PC(O-32:1)	PC(P-32:0)/PC(O-32:1)	C40H80NO7P	717.5672
PC(39:5)	PC(39:5)	C47H84NO8P	821.5935
Cer[NS](d34:2)
PI(34:0)	PI(34:0)	C43H83O13P	838.5571
PC(37:0)	PC(37:0)	C45H90NO8P	803.6404
PC(37:3)	PC(37:3)	C45H84NO8P	797.5935
PE(40:8)	PE(40:8)	C45H74NO8P	787.5152
Plasmanyl-PC(O-31:1)	PC(P-31:0)/PC(O-31:1)	C39H78NO7P	703.5516
PC(38:3)	PC(38:3)	C46H86NO8P	811.6091
PC(44:8)	PC(44:8)	C52H88NO8P	885.6248
PC(38:4)	PC(38:4)	C46H84NO8P	809.5935
Plasmanyl-PC(O-31:0)	PC(O-31:0)	C39H80NO7P	705.567242
SHexCer(d42:6)
PC(38:5)	PC(38:5)	C46H82NO8P	807.5778
PE(39:5)	PE(39:5)	C44H78NO8P	779.5465
SHexCer(d38:3)
PC(16:0_16:0)	PC(16:0/16:0)	C40H80NO8P	733.5622	13381
PS(42:6)	PS(42:6)	C48H82NO10P	863.5676
SHexCer(d40:4)
PC(39:3)	PC(39:3)	C47H88NO8P	825.624757
PC(16:0_18:1)	PC(16:0_18:1)	C42H82NO8P	759.5778
Methyl-PA(16:0_18:1)
PC(39:6)	PC(39:6)	C47H82NO8P	819.5778
PC(18:1_18:1)	PC(18:1/18:1)	C44H84NO8P	785.5935
SHexCer(d42:5)
PC(35:6)	PC(35:6)	C43H74NO8P	763.5152
PC(40:4)	PC(40:4)	C48H88NO8P	837.6248
Cer[NDS](d34:1)
PI(17:0_18:0)	PI(17:0_18:0)	C44H85O13P	852.572783
PS(20:3_20:3)	PS(20:3/20:3)	C46H78NO10P	835.536337
DG(32:2)	DG(32:2)	C35H64O5	564.4754
PI(40:3)	PI(40:3)	C49H89O13P	916.6041
PC(33:0)	PC(33:0)	C41H82NO8P	747.5778
SHexCer(d39:3)
PC(40:5)	PC(40:5)	C48H86NO8P	835.6091
PS(39:3)	PS(39:3)	C45H82NO10P	827.567637
PC(40:6)	PC(40:6)	C48H84NO8P	833.5935
PS(42:5)	PS(42:5)	C48H84NO10P	865.5833
PI(19:0)_20:3)	PI(19:0_20:3)	C48H87O13P	902.588433
PE(36:4)	PE(36:4)	C41H74NO8P	739.5152
Cer[NDS](d18:2_18:0)
GlcCer[NDS](d36:1)
HexCer[NS](d36:1)
SM(d42:4)	SM(d42:4)	C47H89N2O6P	808.6458
PC(41:6)	PC(41:6)	C49H86NO8P	847.6091
PC(42:4)	PC(42:4)	C50H92NO8P	865.6561
PG(18:0_18:0)	PG(18:0/18:0)	C42H83O10P	778.5724	17626
PC(39:4)	PC(39:4)	C47H86NO8P	823.6091
PE(40:7)	PE(40:7)	C45H76NO8P	789.5309
PE(41:6)	PE(41:6)	C46H80NO8P	805.562157
SM(d39:2)	SM(d39:2)	C44H87N2O6P	770.6302
PC(42:5)	PC(42:5)	C50H90NO8P	863.6404
PC(O-36:5)	PC(P-36:4)/PC(O-36:5)	C44H80NO7P	765.5672
SM(d37:1)	SM(d37:1)	C42H85N2O6P	744.6145
PC(42:6)	PC(42:6)	C50H88NO8P	861.6248
Cer[NDS](d18:0_16:0)
SHexCer(d41:4)
PC(42:7)	PC(42:7)	C50H86NO8P	859.6091
Plasmanyl-PC(O-32:0)	PC(O-32:0)	C40H82NO7P	719.5829
SM(d41:3)	SM(d41:3)	C46H89N2O6P	796.6458
Plasmanyl-PC(O-40:6)	PC(P-40:5)/PC(O-40:6)	C48H86NO7P	819.6142
PE(38:3)	PE(38:3)	C43H80NO8P	769.5622
PC(37:2)	PC(37:2)	C45H86NO8P	799.6091
PC(36:2)	PC(36:2)	C44H84NO8P	785.5935
PE(17:0_18:1)	PE(17:0_18:1)	C40H78NO8P	731.546507
Plasmanyl-PC(O-34:1)	PC(O-34:1)	C42H84NO7P	745.598542
PC(44:1)0	PC(44:10)	C52H84NO8P	881.5935
Plasmenyl-PC(P-34:0)	PC(P-34:0)/PC(O-34:1)	C42H84NO7P	745.5985
PI(39:2)	PI(39:2)	C48H89O13P	904.604083
PE(39:6)	PE(39:6)	C44H76NO8P	777.530857
DG(16:1_17:1)	DG(16:1_17:1)	C36H66O5	578.491025
PE(39:4)	PE(39:4)	C44H80NO8P	781.5622
GlcCer[NDS](d36:0)
Plasmanyl-PC(O-36:2)	PC(P-36:1)/PC(O-36:2)	C44H86NO7P	771.6142
Cer[NDS](d35:1)
PC(44:6)	PC(44:6)	C52H92NO8P	889.6561
PE(33:0)	PE(33:0)	C38H76NO8P	705.5309
PC(O-33:0)	PC(O-33:0)	C41H84NO7P	733.598542
PE(42:8)	PE(42:8)	C47H78NO8P	815.5465
PI(20:3_20:0)	PI(20:0_20:3)	C49H89O13P	916.604083
DG(16:0_18:3)	DG(16:0_18:3)	C37H66O5	590.491025
SM(d39:1)	SM(d39:1)	C44H89N2O6P	772.6458
PC(44:7)	PC(44:7)	C52H90NO8P	887.6404
PC(O-40:6)	PC(P-40:5)/PC(O-40:6)	C48H86NO7P	819.6142
HexCer[NS](d37:1)
PE(37:4)	PE(37:4)	C42H76NO8P	753.5309
PE(38:5)	PE(38:5)	C43H76NO8P	765.5309
PE-NMe(36:2)
PE(40:6)	PE(40:6)	C45H78NO8P	791.5465
PG(16:0_18:0)	PG(16:0_18:0)	C40H79O10P	750.541088
SHexCer(d40:3)
DG(14:0_16:0)	DG(14:0_16:0)	C33H64O5	540.4754
PI(18:0_20:2)	PI(18:0_20:2)	C47H87O13P	890.588433
DG(36:4)	DG(36:4)	C39H68O5	616.5067
SHexCer(d42:4)
SHexCer(d44:5)
PC(46:7)	PC(46:7)	C54H94NO8P	915.6717
PI(34:1)	PI(34:1)	C43H81O13P	836.5415
Plasmanyl-PC(O-38:3)	PC(P-38:2)/PC(O-38:3)	C46H88NO7P	797.6298
DG(16:0_22:5)	DG(16:0_22:5)	C41H70O5	642.5223
DG(16:1_18:1)	DG(16:1_18:1)	C37H68O5	592.5067
DG(18:1_22:5)	DG(18:1_22:5)	C43H72O5	668.537975
PI(34:2)	PI(34:2)	C43H79O13P	834.5258
PE(37:2)	PE(37:2)	C42H80NO8P	757.5622
PE(36:3)	PE(36:3)	C41H76NO8P	741.5309
Cer[NDS](d18:1_18:0)
PC(O-42:6)	PC(P-42:5)/PC(O-42:6)	C50H90NO7P	847.6455
DG(34:2)	DG(34:2)	C37H68O5	592.5067
PI(39:3)	PI(39:3)	C48H87O13P	902.5884
DG(15:0_16:0)	DG(15:0_16:0)	C34H66O5	554.4910
PC(37:1)	PC(37:1)	C45H88NO8P	801.6248
PC(48:8)	PC(48:8)	C56H96NO8P	941.6874
PE(38:4)	PE(38:4)	C43H78NO8P	767.5465
PC(41:4)	PC(41:4)	C49H90NO8P	851.6404
PE(38:2)	PE(38:2)	C43H82NO8P	771.5778
Plasmanyl-PC(O-38:4)	PC(P-38:3)/PC(O-38:4)	C46H86NO7P	795.6142
HexCer[NS](d38:1)
DG(38:4)	DG(38:4)	C41H72O5	644.5380
GlcCer[NDS](d18:0_20:1)
Plasmanyl-PC(O-38:5)	PC(P-38:4)/PC(O-38:5)	C46H84NO7P	793.5985
Cer[NS](d40:3)
Plasmanyl-PC(O-42:6)	PC(P-42:5)/PC(O-42:6)	C50H90NO7P	847.6455
SM(d42:2)	SM(d42:2)	C47H93N2O6P	812.6771
DG(31:0)	DG(31:0)	C34H66O5	554.4910
PC(39:2)	PC(39:2)	C47H90NO8P	827.640407
PE-NMe(34:0)
Plasmanyl-PC(O-40:4)	PC(P-40:3)/PC(O-40:4)	C48H90NO7P	823.6455
SM(d43:3)	SM(d43:3)	C48H93N2O6P	824.6771
Plasmanyl-PC(O-34:0)	PC(O-34:0)	C42H86NO7P	747.6142
PE(39:3)	PE(39:3)	C44H82NO8P	783.577807
DG(17:1_18:1)	DG(17:1_18:1)	C38H70O5	606.522325
Plasmanyl-PC(O-36:1)	PC(O-36:1)	C44H88NO7P	773.629842
Plasmanyl-PC(O-40:5)	PC(P-40:4)/PC(O-40:5)	C48H88NO7P	821.6298
Plasmanyl-PC(O-42:5)	PC(P-42:4)/PC(O-42:5)	C50H92NO7P	849.6611
PS(33:1)	PS(33:1)	C39H74NO10P	747.505037
PC(40:3)	PC(40:3)	C48H90NO8P	839.6404
HexCer[NS](d39:1)
SM(d39:0)	SM(d39:0)	C44H91N2O6P	774.6615
GlcCer[NDS](d39:1)
PE(41:4)	PE(41:4)	C46H84NO8P	809.5935
PC(36:0)	PC(36:0)	C44H88NO8P	789.6248
PC(38:1)	PC(38:1)	C46H90NO8P	815.6404
PC(40:2)	PC(40:2)	C48H92NO8P	841.6561
DG(16:0_16:0)	DG(16:0_16:0)	C35H68O5	568.506675
SM(d44:3)	SM(d44:3)	C49H95N2O6P	838.6928
PE(46:7)	PE(46:7)	C51H88NO8P	873.6248
PC(44:5)	PC(44:5)	C52H94NO8P	891.6717
Plasmanyl-PC(O-40:3)	PC(P-40:2)/PC(O-40:3)	C48H92NO7P	825.6611
DG(34:1)	DG(34:1)	C37H70O5	594.5223
DG(18:0)_22:5)	DG(18:0_22:5)	C43H74O5	670.5536
Plasmanyl-PC(O-38:2)	PC(P-38:1)/PC(O-38:2)	C46H90NO7P	799.6455
DG(18:1_18:1)	DG(18:1_18:1)	C39H72O5	620.537975
PC(42:3)	PC(42:3)	C50H94NO8P	867.6717
PE(36:0)	PE(36:0)	C41H82NO8P	747.5778
PS(35:1)	PS(35:1)	C41H78NO10P	775.536337
PE(40:4)	PE(40:4)	C45H82NO8P	795.5778
Cer[NDS](d18:1)_20:0)
PS(40:6)	PS(40:6)	C46H78NO10P	835.536337
GlcCer[NDS](d42:2)
SHexCer(d44:6)
HexCer[NS](d40:1)
GlcCer[NDS](d18:1_22:0)
SM(d40:0)	SM(d40:0)	C45H93N2O6P	788.6771
Cer[NDS](d18:2_24:1)
Cer[NDS](d18:2_22:0)
PC(41:2)	PC(41:2)	C49H94NO8P	855.671707
SM(d35:0)	SM(d35:0)	C40H83N2O6P	718.5989
DG(17:0_18:1)	DG(17:0_18:1)	C38H72O5	608.537975
Plasmanyl-PC(O-36:0)	PC(O-36:0)	C44H90NO7P	775.6455
SM(d43:1)	SM(d43:1)	C48H97N2O6P	828.7084
Cer[NDS](d40:1)
Plasmanyl-PC(O-38:1)	PC(P-38:0)/PC(O-38:1)	C46H92NO7P	801.6611
Plasmanyl-PC(O-42:4)	PC(P-42:3)/PC(O-42:4)	C50H94NO7P	851.6768
GlcCer[NDS](d40:0)
Cer[NDS](d17:1_24:1)
Cer[NS](d42:3)
HexCer[NS](d41:1)
GlcCer[NDS](d41:1)
PC(38:0)	PC(38:0)	C46H92NO8P	817.6561
SM(d44:2)	SM(d44:2)	C49H97N2O6P	840.7084
PC(42:2)	PC(42:2)	C50H96NO8P	869.6874
DG(16:0_18:0)	DG(16:0_18:0)	C37H72O5	596.5380
DG(36:1)	DG(36:1)	C39H74O5	622.5536
DG(18:1_20:1)	DG(18:1_20:1)	C41H76O5	648.569275
SM(d37:0)	SM(d37:0)	C42H87N2O6P	746.6302
HexCer[NS](d42:1)
GlcCer[NDS](d42:1)
SM(d42:0)	SM(d42:0)	C47H97N2O6P	816.7084
Cer[NS](d44:3)
Plasmanyl-PC(O-38:0)	PC(O-38:0)	C46H94NO7P	803.6768
Cer[NDS](d18:0_24:1)
Cer[NDS](d18:0_22:0)
GlcCer[NDS](d42:0)
SM(d41:1)	SM(d41:1)	C46H93N2O6P	800.6771
Cer[NDS](d18:1_23:0)
SM(d44:1)	SM(d44:1)	C49H99N2O6P	842.7241
Cer[NDS](d18:1_24:0)
Cer[NDS](d43:1)
Cer[NDS](d18:0_24:0)
CL(16:1)_16:1_16:1_16:1)
CL(16:1)_18:2_16:1_16:1)
CL(68:6)	CL(68:6)	C77H138O17P2	1396.9409
TG(40:0)	TG(40:0)	C43H82O6	694.6111
CL(16:1_17:1_16:1_16:1)
CL(70:7)	CL(70:7)	C79H140O17P2	1422.9566
Cer[NDS](d44:1)
CL(67:5)
CL(72:8)	CL(72:8)	C81H142O17P2	1448.9722
CL(69:6)
TG(48:4)	TG(48:4)	C51H90O6	798.6737
Cer[NDS](d44:0)
TG(50:6)	TG(50:6)	C53H90O6	822.6737
CL(68:5)	CL(68:5)	C77H140O17P2	1398.9566
TG(43:1)	TG(43:1)	C46H86O6	734.6424
TG(16:1_16:1_22:6)	TG(16:1_16:1_22:6)	C57H94O6	874.70504
TG(45:2)	TG(45:2)	C48H88O6	760.6581
CL(70:6)	CL(70:6)	C79H142O17P2	1424.9722
TG(47:3)	TG(47:3)	C50H90O6	786.6737
CL(67:4)
CL(69:5)
D5TG(14:0_14:0_16:1)
TG(50:5)	TG(50:5)	C53H92O6	824.6894
CL(68:4)	CL(68:4)	C77H142O17P2	1400.9722
TG(43:0)	TG(43:0)	C46H88O6	736.6581
TG(49:4)	TG(49:4)	C52H92O6	812.6894
CL(70:5)	CL(70:5)	C79H144O17P2	1426.9879
TG(50:4)	TG(50:4)	C53H94O6	826.7050
CL(72:6)	CL(72:6)	C81H146O17P2	1453.0035
TG(14:0_16:0_22:6)	TG(14:0_16:0_22:6)	C55H94O6	850.70504
TG(54:7)	TG(54:7)	C57H96O6	876.7207
CL(69:4)
TG(44:1)	TG(44:1)	C47H88O6	748.6581
TG(18:2_18:2_20:4)	TG(18:2_18:2_20:4)	C59H98O6	902.7363
TG(45:1)	TG(45:1)	C48H90O6	762.6737
CL(71:5)
CL(66:2)	CL(66:2)	C75H142O17P2	1376.9722
CE(20:5)	CE(20:5)	C47H74O2	670.5689
TG(51:4)	TG(51:4)	C54H96O6	840.7207
TG(50:0)	TG(50:0)	C53H102O6	834.7676
CL(18:1_18:1_16:1_18:1)
TG(54:6)	TG(54:6)	C57H98O6	878.7363
TG(54:5)	TG(54:5)	C57H100O6	880.7520
CL(18:1_18:1_18:2_18:1)
CE(22:6)	CE(22:6)	C49H76O2	696.5845	34685
TG(53:5)	TG(53:5)	C56H98O6	866.7363
TG(52:4)	TG(52:4)	C55H98O6	854.7363
TG(45:0)	TG(45:0)	C48H92O6	764.6894
TG(55:6)	TG(55:6)	C58H100O6	892.7520
TG(47:1)	TG(47:1)	C50H94O6	790.7050
TG(49:2)	TG(49:2)	C52H96O6	816.7207
CL(68:2)	CL(68:2)	C77H146O17P2	1405.0035
CE(20:4)	CE(20:4)	C47H76O2	672.5845
CE(22:5)	CE(22:5)	C49H78O2	698.6002	40921
TG(46:0)	TG(46:0)	C49H94O6	778.7050
D5TG(16:0_18:1)_18:1)
TG(55:5)	TG(55:5)	C58H102O6	894.7676
CE(16:1)	CE(16:1)	C43H74O2	622.5689
TG(52:3)	TG(52:3)	C55H100O6	856.7520
CE(20:3)	CE(20:3)	C47H78O2	674.6002	40920
TG(49:1)	TG(49:1)	C52H98O6	818.7363
TG(57:6)	TG(57:6)	C60H104O6	920.7833
TG(47:0)	TG(47:0)	C50H96O6	792.7207
CE(18:2)	CE(18:2)	C45H76O2	648.5845	34674
TG(58:6)	TG(58:6)	C61H106O6	934.7989
TG(54:4)	TG(54:4)	C57H102O6	882.7676
TG(55:4)	TG(55:4)	C58H104O6	896.7833
TG(48:0)	TG(48:0)	C51H98O6	806.7363
TG(52:2)	TG(52:2)	C55H102O6	858.7676
TG(49:0)	TG(49:0)	C52H100O6	820.7520
TG(58:5)	TG(58:5)	C61H108O6	936.8146
D5TG(54:1)
Alkenyl-TG(P-50:1)
Alkenyl-TG(P-48:0)
TG(18:0_18:0_22:6)	TG(18:0_18:0_22:6)	C61H106O6	934.79894
CE(18:1)	CE(18:1)	C45H78O2	650.6002	34669
TG(60:6)	TG(60:6)	C63H110O6	962.8302
CE(16:0)	CE(16:0)	C43H76O2	624.5845	34671
CE(20:2)	CE(20:2)	C47H80O2	676.6158	34678
TG(52:5)	TG(52:5)	C55H96O6	852.7207
TG(56:4)	TG(56:4)	C59H106O6	910.7989
CE(24:4)	CE(24:4)	C51H84O2	728.6471
TG(58:4)	TG(58:4)	C61H110O6	938.8302
TG(55:2)	TG(55:2)	C58H108O6	900.8146
Alkenyl-TG(P-18:0_16:0_18:1)
Alkenyl-TG(P-50:0)
CE(20:1)	CE(20:1)	C47H82O2	678.6315	34677
CE(22:2)	CE(22:2)	C49H84O2	704.6471	34683
CE(18:0)	CE(18:0)	C45H80O2	652.6158	34673
TG(52:0)	TG(52:0)	C55H106O6	862.7989
TG(53:0)	TG(53:0)	C56H108O6	876.8146
TG(62:4)	TG(62:4)	C65H118O6	994.8928
TG(56:1)	TG(56:1)	C59H112O6	916.8459
TG(54:0)	TG(54:0)	C57H110O6	890.8302
TG(62:3)	TG(62:3)	C65H120O6	996.9085
TG(60:2)	TG(60:2)	C63H118O6	970.8928
TG(58:1)	TG(58:1)	C61H116O6	944.8772
METABOLITES_END
#END