#METABOLOMICS WORKBENCH sbhattacharya_20231205_084853 DATATRACK_ID:4489 STUDY_ID:ST003225 ANALYSIS_ID:AN005288 PROJECT_ID:PR002011
VERSION             	1
CREATED_ON             	May 31, 2024, 9:57 am
#PROJECT
PR:PROJECT_TITLE                 	Lipidomic analysis of Axon Regeneration in Xenopus laevis Chiasm
PR:PROJECT_SUMMARY               	CNS injuries of the anuran amphibian, Xenopus laevis, are uniquely befitted for
PR:PROJECT_SUMMARY               	studying the molecular compositions of neuronal regeneration of retinal ganglion
PR:PROJECT_SUMMARY               	cells (RGC) due to a functional recovery of optic axons disparate to adult
PR:PROJECT_SUMMARY               	mammalian analogues. RGCs and their optic nerve axons undergo irreversible
PR:PROJECT_SUMMARY               	neurodegeneration in glaucoma and associated optic neuropathies, resulting in
PR:PROJECT_SUMMARY               	blindness in mammals. Conversely, Xenopus demonstrates RGC lifetime-spanning
PR:PROJECT_SUMMARY               	regenerative capabilities after optic nerve crush, inciting opportunities to
PR:PROJECT_SUMMARY               	compare de novo regeneration and develop efficient pharmaceutical approaches for
PR:PROJECT_SUMMARY               	vision restoration. Studies revealing lipidome alterations during optic nerve
PR:PROJECT_SUMMARY               	regeneration are sparse and could serve as a solid foundation for these
PR:PROJECT_SUMMARY               	underlying molecular changes. We profile the lipid changes in a transgenic line
PR:PROJECT_SUMMARY               	of 1 year old Xenopus laevis Tg(islet2b:gfp) frogs that were either had a
PR:PROJECT_SUMMARY               	monocular surgery of either a left optic crush injury (crush) or sham surgery
PR:PROJECT_SUMMARY               	(sham). The matching controls of uninjured right optic nerves were also
PR:PROJECT_SUMMARY               	collected (control). Tg(islet2b:gfp) frogs were allowed to recover for 12 and 27
PR:PROJECT_SUMMARY               	days post optic nerve crush. Following euthanasia, the optic nerves were
PR:PROJECT_SUMMARY               	collected for lipidomic analysis. A modified Bligh and Dyer method was used for
PR:PROJECT_SUMMARY               	lipid extraction, followed by untargeted mass spectrometry lipid profiling with
PR:PROJECT_SUMMARY               	a Q-Exactive Orbitrap Liquid Chromatography-Mass Spectrometer (LC MS-MS) coupled
PR:PROJECT_SUMMARY               	with Vanquish Horizon Binary UHPLC LC-MS system.
PR:INSTITUTE                     	University of Miami
PR:DEPARTMENT                    	Ophthalmology
PR:LAST_NAME                     	Bhattacharya
PR:FIRST_NAME                    	Sanjoy K.
PR:ADDRESS                       	1638 NW 10th Avenue, Room 706-A, Miami, FL 33136
PR:EMAIL                         	sbhattacharya@med.miami.edu
PR:PHONE                         	3054824103
#STUDY
ST:STUDY_TITLE                   	Lipidomic analysis of Axon Regeneration in Xenopus laevis Chiasm
ST:STUDY_SUMMARY                 	CNS injuries of the anuran amphibian, Xenopus laevis, are uniquely befitted for
ST:STUDY_SUMMARY                 	studying the molecular compositions of neuronal regeneration of retinal ganglion
ST:STUDY_SUMMARY                 	cells (RGC) due to a functional recovery of optic axons disparate to adult
ST:STUDY_SUMMARY                 	mammalian analogues. RGCs and their optic nerve axons undergo irreversible
ST:STUDY_SUMMARY                 	neurodegeneration in glaucoma and associated optic neuropathies, resulting in
ST:STUDY_SUMMARY                 	blindness in mammals. Conversely, Xenopus demonstrates RGC lifetime-spanning
ST:STUDY_SUMMARY                 	regenerative capabilities after optic nerve crush, inciting opportunities to
ST:STUDY_SUMMARY                 	compare de novo regeneration and develop efficient pharmaceutical approaches for
ST:STUDY_SUMMARY                 	vision restoration. Studies revealing lipidome alterations during optic nerve
ST:STUDY_SUMMARY                 	regeneration are sparse and could serve as a solid foundation for these
ST:STUDY_SUMMARY                 	underlying molecular changes. We profile the lipid changes in a transgenic line
ST:STUDY_SUMMARY                 	of 1 year old Xenopus laevis Tg(islet2b:gfp) frogs that were either had a
ST:STUDY_SUMMARY                 	monocular surgery of either a left optic crush injury (crush) or sham surgery
ST:STUDY_SUMMARY                 	(sham). The matching controls of uninjured right optic nerves were also
ST:STUDY_SUMMARY                 	collected (control). Tg(islet2b:gfp) frogs were allowed to recover for 12 and 27
ST:STUDY_SUMMARY                 	days post optic nerve crush. Following euthanasia, the optic nerves were
ST:STUDY_SUMMARY                 	collected for lipidomic analysis. A modified Bligh and Dyer method was used for
ST:STUDY_SUMMARY                 	lipid extraction, followed by untargeted mass spectrometry lipid profiling with
ST:STUDY_SUMMARY                 	a Q-Exactive Orbitrap Liquid Chromatography-Mass Spectrometer (LC MS-MS) coupled
ST:STUDY_SUMMARY                 	with Vanquish Horizon Binary UHPLC LC-MS system.
ST:INSTITUTE                     	University of Miami
ST:LAST_NAME                     	Bhattacharya
ST:FIRST_NAME                    	Sanjoy
ST:ADDRESS                       	1638 NW 10th Avenue, Room 706-A, Miami, FL 33136
ST:EMAIL                         	sbhattacharya@med.miami.edu
ST:PHONE                         	3054824103
#SUBJECT
SU:SUBJECT_TYPE                  	Amphibian
SU:SUBJECT_SPECIES               	Xenopus laevis
SU:TAXONOMY_ID                   	8355
#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           	-	27dpi_Chiasm_1	Sample source:Optic chiasm | Treatment:Crush	RAW_FILE_NAME=27dpi_Chiasm_1_POS1.raw, 27dpi_Chiasm_1_POS2.raw, 27dpi_Chiasm_1_POS3.raw, 27dpi_Chiasm_1_NEG1.raw, 27dpi_Chiasm_1_NEG2.raw, 27dpi_Chiasm_1_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	27dpi_Chiasm_2	Sample source:Optic chiasm | Treatment:Crush	RAW_FILE_NAME=27dpi_Chiasm_2_POS1.raw, 27dpi_Chiasm_2_POS2.raw, 27dpi_Chiasm_2_POS3.raw, 27dpi_Chiasm_2_NEG1.raw, 27dpi_Chiasm_2_NEG2.raw, 27dpi_Chiasm_2_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	Sham_Chiasm_1	Sample source:Optic chiasm | Treatment:Sham	RAW_FILE_NAME=Sham_Chiasm_1_POS1.raw, Sham_Chiasm_1_POS2.raw, Sham_Chiasm_1_POS3.raw, Sham_Chiasm_1_NEG1.raw, Sham_Chiasm_1_NEG2.raw, Sham_Chiasm_1_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	12dpi_Chiasm_1	Sample source:Optic chiasm | Treatment:Crush	RAW_FILE_NAME=12dpi_Chiasm_1_POS1.raw, 12dpi_Chiasm_1_POS2.raw, 12dpi_Chiasm_1_POS3.raw, 12dpi_Chiasm_1_NEG1.raw, 12dpi_Chiasm_1_NEG2.raw, 12dpi_Chiasm_1_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	12dpi_Chiasm_2	Sample source:Optic chiasm | Treatment:Crush	RAW_FILE_NAME=12dpi_Chiasm_2_POS1.raw, 12dpi_Chiasm_2_POS2.raw, 12dpi_Chiasm_2_POS3.raw, 12dpi_Chiasm_2_NEG1.raw, 12dpi_Chiasm_2_NEG2.raw, 12dpi_Chiasm_2_NEG3.raw
SUBJECT_SAMPLE_FACTORS           	-	Sham_Chiasm_2	Sample source:Optic chiasm | Treatment:Sham	RAW_FILE_NAME=Sham_Chiasm_2_POS1.raw, Sham_Chiasm_2_POS2.raw, Sham_Chiasm_2_POS3.raw, Sham_Chiasm_2_NEG1.raw, Sham_Chiasm_2_NEG2.raw, Sham_Chiasm_2_NEG3.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Optic chiasms were collected from frogs at 12 and 27 weeks post optic nerve
CO:COLLECTION_SUMMARY            	crush and subjected to lipid profiling.
CO:SAMPLE_TYPE                   	Eye tissue
#TREATMENT
TR:TREATMENT_SUMMARY             	Optic nerves from each transgenic Tg(Islet2b:EGFP-RPL10a) Xenopus laevis frogs,
TR:TREATMENT_SUMMARY             	3.5 - 5.0 cm in length, underwent monocular surgery of either a left optic crush
TR:TREATMENT_SUMMARY             	injury (crush) or sham surgery (sham). The matching controls of uninjured right
TR:TREATMENT_SUMMARY             	optic nerves were also collected (control). Operated individuals were
TR:TREATMENT_SUMMARY             	anesthetized with 0.05% ethyl 3-aminobenzoate methanesulfonate (Sigma, USA).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipids were extracted from the optic chiasm tissue with a Bligh and Dyer method.
SP:SAMPLEPREP_SUMMARY            	The organic phase containing the lipids was removed after centrifugation and
SP:SAMPLEPREP_SUMMARY            	dried down with a vacuum centrifuge. The lipids were flushed with argon gas to
SP:SAMPLEPREP_SUMMARY            	prevent oxidation and stored at -80°C prior to analysis. Dried lipid samples
SP:SAMPLEPREP_SUMMARY            	were reconstitued in 49µl of isopropanol:acetonitrile 1:1 (v/v) and 1µl of
SP:SAMPLEPREP_SUMMARY            	EquiSPLASH™ LIPIDOMIX® Quantitative Internal Standard (330731) and sonicated
SP:SAMPLEPREP_SUMMARY            	for 15 minutes for total solubilization. Samples were split into two separate
SP:SAMPLEPREP_SUMMARY            	vials containing 25µl each, one for positive mode and one for negative mode.
SP:SAMPLEPREP_SUMMARY            	Reversed phase chromatographic separation was performed on Vanquish Horizon
SP:SAMPLEPREP_SUMMARY            	UHPLC system (Thermo) using an Accucore Vanuqish C18+ UHPLC Column. An injection
SP:SAMPLEPREP_SUMMARY            	volume of 5µl was used and the flow rate was 260 µl/min. Mobile phase A was
SP:SAMPLEPREP_SUMMARY            	50% acetonitrile, 50% water, 5mM ammonium formate, and 0.1% formic acid. Mobile
SP:SAMPLEPREP_SUMMARY            	phase B was 88% isopropanol, 10% acetonitrile, 2% water, 5mM ammonium formate
SP:SAMPLEPREP_SUMMARY            	and 0.1% formic acid.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Thermo Accucore C18 (150 x 2.1mm,2.6um)
CH:SOLVENT_A                     	50% acetonitrile/50% water; 0.1% formic acid; 5mM ammonium formate
CH:SOLVENT_B                     	88% isopropanol/10% acetonitrile/2% water; 0.1% formic acid; 5mM ammonium
CH:SOLVENT_B                     	formate
CH:FLOW_GRADIENT                 	The gradient began at 10% B for 1 min, then shifted to 30% B for 1.5min, 50% for
CH:FLOW_GRADIENT                 	3.5min, 60% for 10min, 80% for 2 min, 95% for 2 min, then stayed at 100% B for 6
CH:FLOW_GRADIENT                 	min before ramping down to 10% B for 2 min.
CH:FLOW_RATE                     	260 ul/min
CH:COLUMN_TEMPERATURE            	55
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	The raw scans were analysed and quantified with LipidSearch 5.0 and the
MS:MS_COMMENTS                   	statistical analysis was conducted through Metaboanalyst 5.0.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak area
MS_METABOLITE_DATA_START
Samples	27dpi_Chiasm_1	Sham_Chiasm_1	27dpi_Chiasm_2	12dpi_Chiasm_2	12dpi_Chiasm_1	Sham_Chiasm_2
Factors	Sample source:Optic chiasm | Treatment:Crush	Sample source:Optic chiasm | Treatment:Sham	Sample source:Optic chiasm | Treatment:Crush	Sample source:Optic chiasm | Treatment:Crush	Sample source:Optic chiasm | Treatment:Crush	Sample source:Optic chiasm | Treatment:Sham
Cer(d18:1_15:0)+D7:(s)	1.50E+07	1.39E+07	1.67E+07	1.37E+07	2.10E+06	1.65E+07
Cer(d18:1_16:0)	5.73E+05	4.58E+05	5.32E+05	2.42E+05	6.24E+04	1.11E+06
Cer(d18:1_18:0)	4.33E+05	5.82E+05	5.10E+05	2.66E+05	6.83E+04	1.64E+06
Cer(d18:1_22:1)	6.52E+04	1.31E+05	7.75E+04	3.87E+04	1.61E+04	3.54E+05
Cer(d18:1_24:1)	2.84E+06	3.16E+06	3.44E+06	1.44E+06	3.37E+05	6.38E+06
Cer(d24:2_14:0)	4.68E+03	7.68E+03	3.51E+03	2.24E+03	1.51E+03	3.98E+04
Cer(d36:1)	9.27E+04	1.39E+05	1.42E+05	7.56E+04	1.16E+04	3.92E+05
Cer(d40:2)	3.16E+04	3.93E+04	3.54E+04	9.91E+03	5.83E+03	8.37E+04
Cer(d42:2)	5.78E+04	1.69E+05	6.61E+04	1.05E+05	1.86E+04	2.57E+05
FA(16:0)	1.68E+05	2.23E+05	1.01E+05	8.47E+04	2.60E+04	2.39E+05
FA(16:1)	4.49E+04	6.43E+04	2.74E+04	1.96E+04	3.72E+03	6.63E+04
FA(18:0)	1.47E+05	1.46E+05	7.29E+04	5.17E+04	1.03E+04	1.15E+05
FA(18:1)	1.14E+06	1.41E+06	6.12E+05	3.82E+05	1.16E+05	1.19E+06
FA(18:2)	5.60E+04	4.46E+04	1.75E+04	1.27E+04	1.72E+03	4.67E+04
FA(20:3)	2.73E+04	2.47E+04	8.93E+03	4.91E+03	4.98E+02	2.55E+04
FA(20:4)	5.64E+05	6.66E+05	2.30E+05	1.91E+05	2.35E+04	7.48E+05
FA(20:5)	1.42E+05	6.74E+04	3.27E+04	2.11E+04	1.86E+03	6.35E+04
FA(22:4)	6.61E+03	4.35E+03	1.99E+03	1.15E+03	3.15E+01	5.26E+03
FA(22:5)	3.67E+04	1.98E+04	1.01E+04	6.42E+03	7.41E+02	2.38E+04
FA(22:6)	6.15E+05	5.47E+05	2.78E+05	1.88E+05	2.57E+04	6.74E+05
FA(29:7)	5.56E+03	1.09E+04	7.90E+03	3.58E+03	1.68E+02	1.41E+04
Hex1Cer(d16:0_20:1)	3.61E+05	5.93E+05	2.32E+05	1.47E+05	9.53E+04	6.61E+05
Hex1Cer(d16:0_22:1)	2.55E+05	6.87E+05	1.51E+05	1.33E+05	3.83E+04	8.93E+05
Hex1Cer(d16:0_24:2)	2.55E+06	6.67E+06	2.78E+06	1.18E+06	7.14E+05	1.04E+07
Hex1Cer(d16:0_26:2)	1.08E+07	2.40E+07	9.51E+06	7.22E+06	2.38E+06	3.65E+07
Hex1Cer(d18:0_18:1)	5.01E+05	8.76E+05	3.02E+05	1.56E+05	1.06E+05	1.16E+06
Hex1Cer(d20:0_18:1)	2.90E+04	7.08E+04	1.84E+04	2.05E+04	1.21E+04	1.55E+05
Hex1Cer(d22:2_16:0)	5.12E+05	1.03E+06	5.88E+05	1.69E+05	1.61E+05	2.53E+06
Hex1Cer(d22:2_18:0)	1.11E+06	3.22E+06	1.21E+06	5.41E+05	2.36E+05	5.40E+06
Hex1Cer(d36:1)	2.13E+05	3.06E+05	1.06E+05	1.04E+05	7.29E+04	3.30E+05
Hex1Cer(d38:2)	9.41E+04	1.88E+05	7.74E+04	6.51E+04	4.28E+04	5.80E+05
Hex1Cer(d40:1)	8.17E+05	1.59E+06	7.02E+05	4.18E+05	1.17E+05	2.74E+06
Hex1Cer(d40:2)	1.96E+05	2.96E+05	2.76E+05	7.21E+04	8.21E+04	7.38E+05
Hex1Cer(d41:2)	3.78E+05	1.04E+06	3.08E+05	1.77E+05	5.89E+04	1.29E+06
Hex1Cer(d42:2)	4.90E+05	9.25E+05	3.21E+05	1.02E+05	1.02E+05	1.27E+06
Hex1Cer(d42:3)	3.01E+04	8.93E+04	3.11E+04	1.59E+04	3.77E+03	1.26E+05
Hex1Cer(d43:2)	5.14E+03	2.88E+04	3.20E+03	5.99E+03	1.11E+03	5.30E+04
Hex1Cer(t18:0_24:2)	3.75E+06	1.40E+07	3.31E+06	3.38E+06	1.08E+06	1.84E+07
Hex1Cer(t18:1_22:1)	3.32E+05	1.12E+06	3.27E+05	1.57E+05	7.99E+04	9.73E+05
Hex1Cer(t20:0_20:1)	6.76E+04	1.95E+05	4.83E+04	7.24E+04	1.80E+04	3.42E+05
Hex1Cer(t20:1_20:1)	1.73E+05	3.08E+05	1.62E+05	5.67E+04	6.98E+04	6.59E+05
Hex1Cer(t22:1_18:1)	8.90E+05	2.98E+06	7.37E+05	3.19E+05	2.29E+05	2.67E+06
Hex1Cer(t40:1)	6.57E+04	1.26E+05	4.26E+04	5.73E+04	1.03E+04	3.03E+05
Hex1Cer(t40:2)	2.65E+05	1.12E+06	2.99E+05	1.45E+05	6.12E+04	9.82E+05
Hex1Cer(t42:1)	3.66E+05	6.19E+05	2.02E+05	1.49E+05	7.02E+04	6.68E+05
Hex1Cer(t42:2)	7.89E+05	1.40E+06	5.33E+05	3.04E+05	1.81E+05	2.65E+06
LBPA(18:1_18:1)	4.89E+04	5.48E+04	5.65E+04	2.15E+04	1.47E+04	1.88E+05
LPA(28:2)	8.68E+05	8.69E+05	7.19E+05	5.13E+05	4.88E+04	6.83E+05
LPC(14:0)	1.39E+04	2.20E+04	8.92E+03	7.13E+03	9.62E+02	2.07E+04
LPC(15:0)	7.74E+05	8.65E+05	5.38E+05	3.36E+05	5.14E+04	9.96E+05
LPC(15:1)	5.71E+05	1.02E+06	3.32E+05	3.26E+05	4.35E+04	1.30E+06
LPC(16:0)	1.75E+06	2.30E+06	1.35E+06	9.14E+05	1.22E+05	2.53E+06
LPC(16:1)	3.69E+06	6.04E+06	2.15E+06	1.48E+06	2.47E+05	6.16E+06
LPC(16:2)	2.46E+04	2.40E+04	1.80E+04	7.47E+03	9.88E+02	2.13E+04
LPC(17:1)	3.16E+04	4.03E+04	2.30E+04	1.35E+04	2.11E+03	4.18E+04
LPC(18:0)	1.18E+05	6.50E+04	7.84E+04	3.20E+04	4.92E+03	9.72E+04
LPC(18:1)	3.38E+06	5.42E+06	2.31E+06	1.62E+06	2.92E+05	5.83E+06
LPC(18:1)+D7:(s)	9.61E+06	8.41E+06	7.56E+06	6.44E+06	5.65E+05	7.04E+06
LPC(18:2)	3.22E+05	3.41E+05	1.56E+05	1.10E+05	1.64E+04	4.47E+05
LPC(20:2)	1.24E+04	1.19E+04	5.67E+03	4.74E+03	4.89E+02	1.95E+04
LPC(20:3)	1.16E+05	6.88E+04	6.26E+04	2.21E+04	2.58E+03	9.01E+04
LPC(20:4)	7.78E+05	7.79E+05	6.83E+05	4.94E+05	6.87E+04	1.50E+06
LPC(20:5)	2.92E+05	2.75E+05	2.35E+05	1.32E+05	2.21E+04	3.06E+05
LPC(22:4)	3.09E+04	2.70E+04	1.97E+04	8.03E+03	1.27E+03	3.93E+04
LPC(22:5)	6.77E+04	5.84E+04	3.18E+04	2.25E+04	3.62E+03	6.83E+04
LPC(22:6)	1.08E+06	1.10E+06	9.80E+05	6.15E+05	1.06E+05	1.70E+06
LPC(O-16:0)	1.95E+04	2.71E+03	2.64E+03	9.99E+02	1.62E+02	4.24E+03
LPC(O-17:1)	6.10E+04	1.15E+04	1.48E+04	7.50E+03	1.26E+03	2.04E+04
LPC(O-18:1)	8.09E+04	1.70E+04	2.00E+04	1.06E+04	1.71E+03	2.92E+04
LPC(P-15:2)	5.83E+04	2.14E+05	6.94E+04	7.86E+04	1.75E+04	2.80E+05
LPE(16:0)	1.90E+05	1.15E+05	6.25E+04	9.44E+04	1.49E+04	2.00E+05
LPE(16:1)	1.21E+05	1.85E+05	7.97E+04	6.59E+04	1.19E+04	1.78E+05
LPE(18:0)	5.36E+05	4.09E+05	1.94E+05	2.15E+05	3.35E+04	6.07E+05
LPE(18:1)	5.95E+05	5.21E+05	2.78E+05	2.09E+05	3.23E+04	7.37E+05
LPE(18:1)+D7:(s)	1.11E+07	9.21E+06	6.23E+06	6.84E+06	5.19E+05	7.34E+06
LPE(18:2)	9.12E+04	1.26E+05	3.38E+04	2.83E+04	4.75E+03	1.13E+05
LPE(20:2)	1.43E+04	1.73E+04	5.63E+03	5.13E+03	6.97E+02	2.51E+04
LPE(20:3)	1.26E+05	7.09E+04	6.17E+04	2.02E+04	3.38E+03	8.53E+04
LPE(20:4)	1.41E+06	2.04E+06	1.09E+06	7.25E+05	1.06E+05	2.59E+06
LPE(20:5)	2.46E+05	2.42E+05	1.88E+05	1.08E+05	1.68E+04	3.31E+05
LPE(22:4)	5.78E+04	7.56E+04	4.12E+04	2.74E+04	4.02E+03	9.48E+04
LPE(22:5)	4.59E+04	5.72E+04	2.30E+04	3.77E+04	4.04E+03	1.64E+05
LPE(22:6)	3.85E+06	4.83E+06	3.37E+06	2.51E+06	3.67E+05	7.82E+06
LPE(O-16:1)	1.62E+05	6.84E+04	3.08E+04	4.08E+04	6.66E+03	8.60E+04
LPE(O-18:1)	1.37E+05	4.24E+04	2.38E+04	2.64E+04	3.51E+03	8.98E+04
LPE(O-18:2)	2.44E+05	1.76E+05	6.72E+04	7.12E+04	9.92E+03	2.25E+05
LPE(P-18:1)	2.41E+05	1.71E+05	6.93E+04	6.96E+04	9.91E+03	2.26E+05
LPS(22:6)	3.50E+04	3.28E+04	9.74E+03	3.52E+04	5.68E+03	4.28E+04
MGDG(18:1_16:0)	8.03E+05	1.34E+06	8.32E+05	4.11E+05	2.50E+05	2.26E+06
MGDG(20:4_20:4)	2.72E+04	1.94E+04	2.04E+04	1.91E+04	1.15E+04	4.25E+04
MGDG(20:4_22:4)	1.22E+04	7.31E+03	2.04E+04	1.75E+03	6.59E+02	1.01E+04
MGDG(20:4_22:5)	2.05E+04	1.98E+04	1.37E+04	1.01E+04	6.16E+03	1.76E+04
MGMG(16:0)	1.29E+05	3.06E+05	7.92E+04	5.30E+04	1.07E+04	2.32E+05
MGMG(16:1)	4.26E+04	1.15E+05	2.34E+04	1.68E+04	3.79E+03	9.07E+04
MGMG(18:1)	1.38E+04	4.14E+04	6.57E+03	4.06E+03	9.07E+02	2.24E+04
PA(O-25:2_2:0)	1.39E+04	1.16E+04	1.39E+04	8.38E+03	7.96E+02	9.39E+03
PA(O-26:3_2:0)	1.42E+04	1.06E+04	1.10E+04	6.17E+03	4.92E+02	6.17E+03
PC(14:0_16:0)	1.32E+06	1.20E+06	9.27E+05	3.34E+05	1.09E+05	8.39E+05
PC(15:0_16:0COOH)	6.40E+04	8.07E+04	2.62E+03	5.52E+04	2.36E+03	1.65E+03
PC(15:0_18:1)+D7:(s)	5.09E+06	4.42E+06	6.64E+06	4.28E+06	8.47E+05	2.87E+06
PC(15:0_20:5)	4.68E+05	2.36E+05	2.29E+05	1.37E+05	3.13E+04	4.61E+05
PC(16:0_16:0)	3.93E+06	4.12E+06	4.66E+06	1.37E+06	6.56E+05	6.34E+06
PC(16:0_16:1)	3.02E+07	2.59E+07	2.87E+07	1.17E+07	4.97E+06	2.69E+07
PC(16:0_18:0)	4.00E+05	7.91E+05	5.81E+05	2.48E+05	4.37E+04	1.13E+06
PC(16:0_18:1)	2.59E+07	2.97E+07	3.28E+07	1.06E+07	6.14E+06	4.53E+07
PC(16:0_18:2)	2.94E+05	3.06E+05	2.96E+05	5.81E+04	2.63E+04	2.71E+05
PC(16:0_19:0COOH)	2.07E+06	2.28E+06	3.09E+06	7.11E+05	2.87E+05	3.34E+06
PC(16:0_20:0)	1.05E+04	1.57E+04	4.04E+03	5.27E+03	3.12E+03	9.15E+03
PC(16:0_20:4)	3.82E+06	2.84E+06	4.21E+06	1.56E+06	6.01E+05	4.16E+06
PC(16:0_20:5)	4.61E+06	2.43E+06	3.50E+06	1.62E+06	4.83E+05	3.49E+06
PC(16:0_22:6)	9.56E+06	8.59E+06	9.62E+06	3.48E+06	1.83E+06	1.53E+07
PC(16:1_16:1)	1.02E+06	7.49E+05	6.32E+05	3.28E+05	7.76E+04	1.39E+06
PC(16:1_18:1)	5.34E+06	4.10E+06	4.87E+06	1.94E+06	8.05E+05	4.43E+06
PC(16:1_20:5)	2.38E+05	2.19E+05	8.41E+04	4.19E+04	8.69E+03	5.61E+04
PC(18:0_18:1)	2.55E+06	4.45E+06	4.66E+06	1.59E+06	5.74E+05	6.87E+06
PC(18:0_20:4)	8.80E+05	7.00E+05	1.52E+06	3.27E+05	1.58E+05	1.66E+06
PC(18:0_20:5)	3.26E+05	2.27E+05	3.36E+05	1.21E+05	7.74E+04	3.26E+05
PC(18:0_22:6)	7.46E+05	5.64E+05	1.18E+06	3.16E+05	2.08E+05	1.11E+06
PC(18:1_15:0)	2.85E+06	2.94E+06	2.48E+06	1.37E+06	9.80E+05	5.25E+06
PC(18:1_18:1)	1.58E+06	1.22E+06	1.77E+06	6.98E+05	4.63E+05	2.61E+06
PC(18:1_20:1)	1.13E+04	1.66E+04	1.26E+04	5.96E+03	1.63E+03	3.62E+04
PC(18:1_20:4)	5.29E+05	3.08E+05	6.75E+05	1.82E+05	7.28E+04	3.73E+05
PC(18:1_20:5)	1.01E+06	4.29E+05	1.00E+06	1.44E+05	3.81E+04	3.40E+05
PC(19:1_18:1)	5.81E+03	4.37E+03	8.03E+03	2.01E+03	1.51E+03	1.57E+04
PC(20:4_20:5)	2.91E+04	4.63E+04	1.83E+04	1.65E+04	2.94E+03	7.19E+04
PC(20:5_20:5)	8.71E+04	3.12E+04	1.24E+05	1.38E+04	2.73E+03	4.52E+04
PC(20:5_22:6)	6.12E+04	1.22E+05	1.22E+05	8.19E+04	3.78E+04	1.36E+05
PC(22:6_22:6)	2.40E+04	5.16E+03	2.55E+04	8.10E+00	1.06E-03	7.42E+01
PC(30:2_6:1COOH)	4.69E+04	4.25E+04	5.26E+04	1.10E+04	8.62E+03	6.17E+04
PC(31:1)	3.81E+04	1.30E+04	4.97E+04	3.33E+03	2.73E+03	1.75E+04
PC(O-13:0_20:1)	4.02E+05	4.26E+05	6.48E+05	1.24E+05	5.61E+04	8.29E+05
PC(O-14:1_20:4)	5.20E+05	2.97E+05	2.40E+05	1.46E+05	1.04E+05	5.08E+05
PC(O-14:1_20:5)	3.55E+05	2.32E+05	2.01E+05	1.24E+05	4.41E+04	1.90E+05
PC(O-14:1_22:6)	6.40E+05	4.70E+05	3.67E+05	2.13E+05	1.26E+05	6.67E+05
PC(O-15:0_18:1)	1.19E+06	2.27E+06	2.22E+06	5.11E+05	1.87E+05	3.38E+06
PC(O-16:0_16:0)	2.53E+04	3.46E+04	4.08E+04	1.04E+04	3.08E+03	7.46E+04
PC(O-16:1_16:0)	1.79E+06	2.05E+06	2.05E+06	7.77E+05	4.83E+05	3.05E+06
PC(O-16:1_2:0)	1.54E+05	1.85E+05	9.43E+04	5.73E+04	9.17E+03	2.41E+05
PC(O-16:2_17:1)	3.17E+04	5.24E+04	1.63E+04	1.53E+04	7.98E+03	6.59E+04
PC(O-16:2_18:2)	6.51E+04	1.06E+05	4.16E+04	3.51E+04	1.75E+04	1.72E+05
PC(O-16:2_20:2)	1.51E+05	2.25E+05	7.71E+04	6.17E+04	3.43E+04	4.47E+05
PC(O-16:2_22:6)	6.53E+05	7.49E+05	6.92E+05	2.74E+05	2.07E+05	1.28E+06
PC(O-18:1_16:0)	7.51E+06	1.41E+07	1.29E+07	3.49E+06	1.73E+06	2.55E+07
PC(O-18:1_17:1)	2.64E+04	3.72E+04	5.47E+04	1.87E+04	6.38E+03	1.34E+05
PC(O-18:1_18:1)	5.62E+05	8.33E+05	7.18E+05	2.99E+05	1.11E+05	1.58E+06
PC(O-18:1_20:4)	2.52E+05	1.59E+05	2.55E+05	9.64E+04	5.76E+04	2.75E+05
PC(O-18:1_20:5)	5.36E+05	3.05E+05	4.29E+05	2.10E+05	8.92E+04	3.16E+05
PC(O-18:1_22:6)	1.29E+05	9.28E+04	1.05E+05	5.50E+04	2.90E+04	1.21E+05
PC(O-18:2_18:1)	6.17E+04	1.46E+05	4.38E+04	3.56E+04	5.07E+03	2.99E+05
PC(O-18:4_2:0)	1.58E+05	1.04E+05	9.87E+04	1.10E+05	1.48E+04	4.28E+05
PC(O-20:6_18:0)	2.80E+04	1.59E+04	2.98E+04	1.54E+04	9.26E+03	2.33E+04
PC(O-33:1)	8.00E+05	1.47E+06	1.39E+06	5.07E+05	1.20E+05	1.92E+06
PC(O-38:6)	8.76E+04	6.04E+04	5.76E+04	3.96E+04	1.67E+04	6.25E+04
PE(15:0_18:1)+D7:(s)	4.89E+06	4.42E+06	4.39E+06	4.41E+06	8.58E+05	3.61E+06
PE(16:0_16:1)	8.32E+04	6.64E+04	3.71E+04	3.31E+04	1.18E+04	6.34E+04
PE(16:0_18:1)	1.53E+06	1.38E+06	1.18E+06	5.47E+05	2.58E+05	2.33E+06
PE(16:0_20:4)	1.76E+06	1.26E+06	1.30E+06	7.83E+05	2.85E+05	1.87E+06
PE(16:0_20:5)	2.76E+06	1.54E+06	1.27E+06	9.96E+05	2.67E+05	1.94E+06
PE(16:0_22:6)	6.94E+06	5.29E+06	5.40E+06	3.31E+06	1.34E+06	8.15E+06
PE(16:1_18:1)	7.41E+05	7.02E+05	4.27E+05	3.25E+05	1.32E+05	6.78E+05
PE(16:1_20:4)	6.70E+04	3.32E+04	1.36E+05	1.23E+04	2.15E+03	3.92E+04
PE(16:1_22:6)	1.90E+05	1.19E+05	9.38E+04	4.20E+04	9.27E+03	1.28E+05
PE(17:1)	1.21E+04	7.75E+04	2.17E+04	1.81E+04	4.27E+03	8.70E+04
PE(18:0_18:1)	3.01E+05	4.15E+05	3.27E+05	1.14E+05	3.07E+04	5.86E+05
PE(18:0_20:0)	4.44E+04	7.40E+04	1.56E+04	1.91E+04	1.70E+04	9.57E+04
PE(18:0_20:3)	3.34E+05	2.54E+05	3.20E+05	5.56E+04	1.95E+04	3.65E+05
PE(18:0_20:4)	6.56E+06	8.01E+06	7.49E+06	3.15E+06	1.10E+06	1.54E+07
PE(18:0_20:5)	3.17E+06	2.38E+06	2.88E+06	1.35E+06	6.82E+05	3.76E+06
PE(18:0_22:4)	3.74E+04	5.14E+04	3.45E+04	2.03E+04	5.33E+03	1.21E+05
PE(18:0_22:6)	2.20E+06	2.11E+06	2.13E+06	8.02E+05	3.16E+05	3.16E+06
PE(18:1_18:1)	1.34E+06	1.91E+06	9.80E+05	5.68E+05	3.04E+05	2.77E+06
PE(18:1_20:1)	4.53E+04	4.24E+04	3.53E+04	1.61E+04	6.13E+03	7.07E+04
PE(18:1_20:4)	6.54E+05	5.00E+05	7.23E+05	2.94E+05	1.10E+05	7.06E+05
PE(18:1_20:5)	1.23E+06	6.90E+05	9.79E+05	2.26E+05	5.07E+04	4.72E+05
PE(18:1_22:6)	2.79E+06	2.15E+06	2.51E+06	1.12E+06	4.78E+05	2.90E+06
PE(18:2_20:4)	3.08E+04	6.95E+03	1.18E+05	6.78E+02	1.67E+02	2.10E+03
PE(18:2_22:6)	1.14E+05	7.54E+04	1.01E+05	1.98E+04	3.68E+03	5.75E+04
PE(19:1)	5.64E+04	2.30E+05	7.21E+04	8.25E+04	1.75E+04	2.88E+05
PE(20:1_16:0)	2.18E+05	3.61E+05	2.49E+05	1.02E+05	1.71E+04	4.72E+05
PE(20:4_20:4)	9.02E+04	5.48E+04	2.89E+04	2.13E+04	3.76E+03	6.18E+04
PE(20:4_22:5)	2.16E+05	1.49E+05	1.51E+05	5.24E+04	8.65E+03	1.47E+05
PE(20:4_22:6)	3.56E+05	2.97E+05	2.26E+05	1.27E+05	2.30E+04	4.70E+05
PE(20:5_22:5)	8.42E+04	2.88E+04	7.28E+04	9.27E+03	1.79E+03	2.96E+04
PE(21:1)	2.39E+03	8.15E+03	2.96E+03	2.35E+03	3.91E+02	9.89E+03
PE(21:3CHO_18:1)	9.67E+04	1.57E+05	6.08E+04	3.68E+04	1.85E+04	2.40E+05
PE(21:4)	2.03E+04	6.70E+04	3.37E+04	2.41E+04	5.34E+03	7.94E+04
PE(22:3_18:1)	1.50E+05	1.98E+05	1.50E+05	6.19E+04	1.83E+04	3.83E+05
PE(22:5_22:6)	1.73E+06	1.62E+06	1.41E+06	6.45E+05	1.71E+05	1.80E+06
PE(22:6_22:6)	1.13E+06	1.26E+06	8.52E+05	6.28E+05	1.67E+05	2.27E+06
PE(22:6_24:6)	3.17E+04	1.87E+04	1.74E+04	7.23E+03	2.23E+03	1.21E+04
PE(23:6)	1.32E+04	4.71E+04	2.66E+04	1.50E+04	3.44E+03	5.53E+04
PE(24:5_16:0)	8.20E+04	7.52E+04	9.92E+04	2.07E+04	8.89E+03	9.19E+04
PE(38:0)	2.75E+03	8.91E+03	3.97E+03	1.53E+02	2.53E+01	3.01E+03
PE(O-16:1_16:1)	4.26E+05	6.47E+05	2.35E+05	2.31E+05	1.02E+05	7.46E+05
PE(O-16:1_20:3)	1.76E+05	4.72E+05	8.06E+04	8.88E+04	2.75E+04	4.78E+05
PE(O-16:1_20:4)	1.67E+06	1.34E+06	8.71E+05	5.03E+05	3.50E+05	1.77E+06
PE(O-16:1_20:5)	2.17E+06	1.42E+06	1.17E+06	8.14E+05	3.51E+05	1.29E+06
PE(O-16:1_22:6)	2.87E+06	2.18E+06	2.06E+06	1.16E+06	5.55E+05	2.68E+06
PE(O-16:2_16:1)	1.55E+04	2.51E+04	6.78E+03	4.45E+03	1.02E+03	1.64E+04
PE(O-16:2_22:6)	8.82E+04	7.42E+04	4.29E+04	3.14E+04	7.93E+03	1.23E+05
PE(O-18:1_18:1)	1.08E+06	3.74E+06	7.87E+05	1.03E+06	1.85E+05	3.91E+06
PE(O-18:1_20:3)	6.71E+04	1.44E+05	5.10E+04	2.18E+04	6.77E+03	1.46E+05
PE(O-18:1_20:4)	1.33E+06	2.41E+06	1.10E+06	4.64E+05	9.88E+04	2.77E+06
PE(O-18:1_22:6)	3.23E+06	4.18E+06	2.92E+06	1.19E+06	5.78E+05	6.67E+06
PE(O-18:2_16:0)	9.09E+06	1.86E+07	4.96E+06	3.95E+06	1.61E+06	2.70E+07
PE(O-18:2_16:1)	3.89E+06	6.11E+06	2.14E+06	1.66E+06	7.70E+05	7.29E+06
PE(O-18:2_16:2)	5.99E+04	6.22E+04	3.04E+04	1.95E+04	1.07E+04	7.83E+04
PE(O-18:2_17:1)	3.11E+05	4.79E+05	1.43E+05	1.22E+05	5.36E+04	6.77E+05
PE(O-18:2_18:1)	2.96E+07	5.93E+07	1.54E+07	1.03E+07	4.40E+06	9.23E+07
PE(O-18:2_18:2)	1.87E+06	3.14E+06	1.15E+06	7.31E+05	3.45E+05	3.86E+06
PE(O-18:2_20:1)	1.73E+06	4.87E+06	1.18E+06	1.14E+06	2.47E+05	8.47E+06
PE(O-18:2_20:2)	1.83E+06	3.57E+06	1.07E+06	6.64E+05	2.50E+05	5.41E+06
PE(O-18:2_20:3)	2.08E+06	2.47E+06	1.59E+06	6.42E+05	3.94E+05	4.55E+06
PE(O-18:2_20:4)	4.19E+06	5.16E+06	2.99E+06	1.60E+06	8.09E+05	6.55E+06
PE(O-18:2_20:5)	4.63E+06	3.54E+06	3.93E+06	1.63E+06	6.89E+05	3.71E+06
PE(O-18:2_22:5)	1.01E+05	1.55E+05	1.25E+05	2.62E+04	1.62E+04	1.71E+05
PE(O-18:2_22:6)	4.36E+06	4.27E+06	3.61E+06	1.61E+06	9.82E+05	6.03E+06
PE(O-18:3_20:2)	5.76E+05	6.77E+05	4.68E+05	2.05E+05	1.28E+05	1.36E+06
PE(O-18:3_20:5)	1.12E+05	6.95E+04	3.68E+04	2.75E+04	5.22E+03	5.34E+04
PE(O-20:2_20:1)	4.29E+03	3.11E+04	4.01E+03	6.93E+03	5.17E+02	5.91E+04
PE(O-20:6_18:1)	9.27E+04	6.89E+04	5.63E+04	1.80E+04	1.18E+04	1.03E+05
PE(O-22:7_18:1)	9.50E+04	7.35E+04	5.21E+04	1.79E+04	1.24E+04	1.20E+05
PG(15:0_18:1)+D7:(s)	3.48E+07	3.00E+07	2.19E+07	2.05E+07	1.78E+06	1.93E+07
PI(15:0_18:1)+D7:(s)	8.62E+06	8.07E+06	2.36E+06	8.81E+06	7.19E+05	7.15E+06
PI(18:0_20:4)	1.70E+06	1.12E+06	6.98E+05	6.59E+05	2.20E+05	1.41E+06
PI(18:1_15:0)+D7:(s)	1.89E+06	1.56E+06	3.14E+05	1.14E+06	6.89E+04	1.18E+06
PI(18:1_20:4)	8.50E+05	7.36E+05	1.64E+05	4.67E+05	1.09E+05	1.62E+06
PI(20:4_18:1)	1.65E+05	1.41E+05	4.67E+04	1.29E+05	4.41E+04	2.80E+05
PI(22:6_18:0)	2.76E+05	2.12E+05	4.96E+04	7.14E+04	1.10E+04	2.42E+05
PI(40:6)	8.28E+04	5.47E+04	1.61E+04	1.56E+04	2.28E+03	5.91E+04
PS(15:0_18:1)+D7:(s)	1.27E+06	9.83E+05	4.37E+05	1.36E+06	2.05E+05	9.20E+05
PS(18:0_18:1)	4.18E+04	9.99E+04	3.83E+04	3.31E+04	1.84E+04	1.31E+05
SM(d18:1_16:0)	1.21E+06	1.39E+06	3.95E+05	4.87E+05	1.02E+05	9.09E+05
SM(d18:1_18:1)+D9:(s)	1.66E+06	1.87E+06	1.92E+06	2.06E+06	4.07E+05	1.24E+06
SM(d34:1)	6.72E+06	4.71E+06	2.27E+06	2.65E+06	8.84E+05	5.45E+06
SM(d36:1)	2.81E+05	3.21E+05	2.87E+05	1.51E+05	8.43E+04	5.05E+05
SM(d36:2)+D9:(s)	5.68E+06	4.37E+06	7.16E+06	2.26E+06	3.43E+05	1.84E+06
SM(d40:1)	2.94E+05	3.02E+05	1.69E+05	6.72E+04	3.11E+04	2.80E+05
SM(d42:1)	1.45E+05	1.60E+05	5.90E+04	4.39E+04	1.19E+04	2.00E+05
SM(d42:3)	6.06E+04	6.08E+04	4.19E+04	2.19E+04	1.20E+04	1.21E+05
SM(t36:0)	1.23E+04	2.08E+04	2.05E+04	6.45E+03	1.48E+03	3.75E+04
SM(t37:4)	1.60E+05	2.40E+05	1.52E+05	6.73E+04	4.49E+04	2.98E+05
SM(t39:3)	6.57E+05	1.72E+06	8.58E+05	5.68E+05	2.12E+05	2.80E+06
SM(t39:4)	2.51E+04	3.85E+04	2.18E+04	1.23E+04	8.11E+03	7.42E+04
ST(d36:1)	3.60E+05	5.17E+05	4.28E+04	1.27E+05	3.07E+04	5.04E+05
ST(d40:2)	1.35E+05	1.97E+05	8.12E+04	8.02E+04	6.26E+04	2.40E+05
ST(d42:2)	1.53E+06	2.22E+06	6.99E+05	4.84E+05	3.16E+05	1.93E+06
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	LipidMolecGroup	ClassKey	SubClassKey	FAKey	FAGroupKey	CalcMass	BaseRt	MolFormula	MainIon	IonCnt	IsoCnt	PDBCnt	TotalSmpIDRate(%)	TotalGrade
Cer(d18:1_15:0)+D7:(s)	Cer(d33:1)+D7:(s)	Cer	acylsphingosines_D7LCB	(d18:1_15:0)+D7:(s)	(d33:1)+D7:(s)	530.5404	20.3761	C33 H58 D7 N1 O3	M+HCOO	2	2	0	66.67	A
Cer(d18:1_16:0)	Cer(d34:1)	Cer	acylsphingosines	(d18:1_16:0)	(d34:1)	537.5121	20.3704	C34 H67 N1 O3	M+HCOO	1	2	1	83.33	B
Cer(d18:1_18:0)	Cer(d36:1)	Cer	acylsphingosines	(d18:1_18:0)	(d36:1)	565.5434	21.3201	C36 H71 N1 O3	M+HCOO	1	3	1	66.67	B
Cer(d18:1_22:1)	Cer(d40:2)	Cer	acylsphingosines	(d18:1_22:1)	(d40:2)	619.5903	21.6937	C40 H77 N1 O3	M+HCOO	1	2	2	16.67	C
Cer(d18:1_24:1)	Cer(d42:2)	Cer	acylsphingosines	(d18:1_24:1)	(d42:2)	647.6216	22.313	C42 H81 N1 O3	M+HCOO	1	5	1	66.67	B
Cer(d24:2_14:0)	Cer(d38:2)	Cer	acylsphingosines	(d24:2_14:0)	(d38:2)	619.5903	22.2573	C40 H77 N1 O3	M+HCOO	1	1	2	16.67	C
Cer(d36:1)	Cer(d36:1)	Cer	acylsphingosines	(d36:1)	(d36:1)	565.5434	24.0042	C36 H71 N1 O3	M+HCOO	1	3	3	33.33	C
Cer(d40:2)	Cer(d40:2)	Cer	acylsphingosines	(d40:2)	(d40:2)	619.5903	22.7148	C40 H77 N1 O3	M+HCOO	1	2	2	16.67	C
Cer(d42:2)	Cer(d42:2)	Cer	acylsphingosines	(d42:2)	(d42:2)	647.6216	25.7145	C42 H81 N1 O3	M+HCOO	1	5	2	16.67	C
FA(16:0)	FA(16:0)	FA	Straight chain fatty acids	(16:0)	(16:0)	256.2402	5.4946	C16 H32 O2	M-H	1	1	0	33.33	C
FA(16:1)	FA(16:1)	FA	Unsaturated fatty acids	(16:1)	(16:1)	254.2246	4.8943	C16 H30 O2	M-H	1	1	2	66.67	C
FA(18:0)	FA(18:0)	FA	Straight chain fatty acids	(18:0)	(18:0)	284.2715	11.7266	C18 H36 O2	M-H	1	1	0	16.67	C
FA(18:1)	FA(18:1)	FA	Unsaturated fatty acids	(18:1)	(18:1)	282.2559	5.8414	C18 H34 O2	M-H	1	1	3	50	C
FA(18:2)	FA(18:2)	FA	Unsaturated fatty acids	(18:2)	(18:2)	280.2402	5.1188	C18 H32 O2	M-H	1	1	0	16.67	C
FA(20:3)	FA(20:3)	FA	Unsaturated fatty acids	(20:3)	(20:3)	306.2559	9.297	C20 H34 O2	M-H	1	1	1	33.33	C
FA(20:4)	FA(20:4)	FA	Unsaturated fatty acids	(20:4)	(20:4)	304.2402	5.0627	C20 H32 O2	M-H	1	1	1	33.33	C
FA(20:5)	FA(20:5)	FA	Unsaturated fatty acids	(20:5)	(20:5)	302.2246	6.9598	C20 H30 O2	M-H	1	1	0	83.33	C
FA(22:4)	FA(22:4)	FA	Unsaturated fatty acids	(22:4)	(22:4)	332.2715	9.6437	C22 H36 O2	M-H	1	1	0	16.67	C
FA(22:5)	FA(22:5)	FA	Unsaturated fatty acids	(22:5)	(22:5)	330.2559	8.4121	C22 H34 O2	M-H	1	1	0	33.33	C
FA(22:6)	FA(22:6)	FA	Unsaturated fatty acids	(22:6)	(22:6)	328.2402	5.0388	C22 H32 O2	M-H	1	1	0	33.33	C
FA(29:7)	FA(29:7)	FA	Unsaturated fatty acids	(29:7)	(29:7)	424.3341	10.7369	C29 H44 O2	M-H	1	1	0	16.67	C
Hex1Cer(d16:0_20:1)	Hex1Cer(d36:1)	Hex1Cer	Ceramide monosaccharides	(d16:0_20:1)	(d36:1)	727.5962	20.3302	C42 H81 N1 O8	M+HCOO	1	3	0	66.67	C
Hex1Cer(d16:0_22:1)	Hex1Cer(d38:1)	Hex1Cer	Ceramide monosaccharides	(d16:0_22:1)	(d38:1)	755.6275	23.9546	C44 H85 N1 O8	M+HCOO	1	3	0	16.67	C
Hex1Cer(d16:0_24:2)	Hex1Cer(d40:2)	Hex1Cer	Ceramide monosaccharides	(d16:0_24:2)	(d40:2)	781.6432	21.4486	C46 H87 N1 O8	M+HCOO	1	4	0	50	C
Hex1Cer(d16:0_26:2)	Hex1Cer(d42:2)	Hex1Cer	Ceramide monosaccharides	(d16:0_26:2)	(d42:2)	809.6745	21.828	C48 H91 N1 O8	M+HCOO	1	3	0	50	C
Hex1Cer(d18:0_18:1)	Hex1Cer(d36:1)	Hex1Cer	Ceramide monosaccharides	(d18:0_18:1)	(d36:1)	727.5962	21.2073	C42 H81 N1 O8	M+HCOO	1	3	0	50	C
Hex1Cer(d20:0_18:1)	Hex1Cer(d38:1)	Hex1Cer	Ceramide monosaccharides	(d20:0_18:1)	(d38:1)	755.6275	21.4643	C44 H85 N1 O8	M+HCOO	1	3	0	16.67	C
Hex1Cer(d22:2_16:0)	Hex1Cer(d38:2)	Hex1Cer	Ceramide monosaccharides	(d22:2_16:0)	(d38:2)	781.6432	22.1213	C46 H87 N1 O8	M+HCOO	1	2	0	16.67	C
Hex1Cer(d22:2_18:0)	Hex1Cer(d40:2)	Hex1Cer	Ceramide monosaccharides	(d22:2_18:0)	(d40:2)	809.6745	21.9918	C48 H91 N1 O8	M+HCOO	1	4	0	50	C
Hex1Cer(d36:1)	Hex1Cer(d36:1)	Hex1Cer	Ceramide monosaccharides	(d36:1)	(d36:1)	727.5962	20.3803	C42 H81 N1 O8	M+HCOO	1	3	0	83.33	C
Hex1Cer(d38:2)	Hex1Cer(d38:2)	Hex1Cer	Ceramide monosaccharides	(d38:2)	(d38:2)	753.6119	21.4312	C44 H83 N1 O8	M+HCOO	1	2	0	16.67	C
Hex1Cer(d40:1)	Hex1Cer(d40:1)	Hex1Cer	Ceramide monosaccharides	(d40:1)	(d40:1)	783.6588	22.785	C46 H89 N1 O8	M+HCOO	1	3	0	33.33	C
Hex1Cer(d40:2)	Hex1Cer(d40:2)	Hex1Cer	Ceramide monosaccharides	(d40:2)	(d40:2)	781.6432	22.3231	C46 H87 N1 O8	M+HCOO	1	4	0	33.33	C
Hex1Cer(d41:2)	Hex1Cer(d41:2)	Hex1Cer	Ceramide monosaccharides	(d41:2)	(d41:2)	795.6588	21.7757	C47 H89 N1 O8	M+HCOO	1	3	0	16.67	C
Hex1Cer(d42:2)	Hex1Cer(d42:2)	Hex1Cer	Ceramide monosaccharides	(d42:2)	(d42:2)	809.6745	21.9077	C48 H91 N1 O8	M+HCOO	1	3	0	33.33	C
Hex1Cer(d42:3)	Hex1Cer(d42:3)	Hex1Cer	Ceramide monosaccharides	(d42:3)	(d42:3)	807.6588	23.7579	C48 H89 N1 O8	M+HCOO	1	1	0	16.67	C
Hex1Cer(d43:2)	Hex1Cer(d43:2)	Hex1Cer	Ceramide monosaccharides	(d43:2)	(d43:2)	823.6901	25.2241	C49 H93 N1 O8	M+HCOO	1	1	0	16.67	C
Hex1Cer(t18:0_24:2)	Hex1Cer(t42:2)	Hex1Cer	t-Ceramide monosaccharides	(t18:0_24:2)	(t42:2)	825.6694	21.8495	C48 H91 N1 O9	M+HCOO	1	2	0	33.33	C
Hex1Cer(t18:1_22:1)	Hex1Cer(t40:2)	Hex1Cer	t-Ceramide monosaccharides	(t18:1_22:1)	(t40:2)	797.6381	23.5868	C46 H87 N1 O9	M+HCOO	1	5	0	66.67	C
Hex1Cer(t20:0_20:1)	Hex1Cer(t40:1)	Hex1Cer	t-Ceramide monosaccharides	(t20:0_20:1)	(t40:1)	799.6537	24.7776	C46 H89 N1 O9	M+HCOO	1	2	0	16.67	C
Hex1Cer(t20:1_20:1)	Hex1Cer(t40:2)	Hex1Cer	t-Ceramide monosaccharides	(t20:1_20:1)	(t40:2)	797.6381	21.7189	C46 H87 N1 O9	M+HCOO	1	5	0	16.67	C
Hex1Cer(t22:1_18:1)	Hex1Cer(t40:2)	Hex1Cer	t-Ceramide monosaccharides	(t22:1_18:1)	(t40:2)	797.6381	21.0164	C46 H87 N1 O9	M+HCOO	1	5	0	33.33	C
Hex1Cer(t40:1)	Hex1Cer(t40:1)	Hex1Cer	t-Ceramide monosaccharides	(t40:1)	(t40:1)	799.6537	24.5755	C46 H89 N1 O9	M+HCOO	1	2	0	16.67	C
Hex1Cer(t40:2)	Hex1Cer(t40:2)	Hex1Cer	t-Ceramide monosaccharides	(t40:2)	(t40:2)	797.6381	23.7135	C46 H87 N1 O9	M+HCOO	1	5	0	66.67	C
Hex1Cer(t42:1)	Hex1Cer(t42:1)	Hex1Cer	t-Ceramide monosaccharides	(t42:1)	(t42:1)	827.685	23.1743	C48 H93 N1 O9	M+HCOO	1	1	0	16.67	C
Hex1Cer(t42:2)	Hex1Cer(t42:2)	Hex1Cer	t-Ceramide monosaccharides	(t42:2)	(t42:2)	825.6694	21.9438	C48 H91 N1 O9	M+HCOO	1	2	0	50	C
LBPA(18:1_18:1)	LBPA(36:2)	LBPA	Monoacylglycerophosphomonoradylglycerols	(18:1_18:1)	(36:2)	774.5411	22.1775	C42 H79 O10 P1	M-H	1	2	0	16.67	C
LPA(28:2)	LPA(28:2)	LPA	monoacyl	(28:2)	(28:2)	574.3998	8.1571	C31 H59 O7 P1	M-H	1	1	0	16.67	C
LPC(14:0)	LPC(14:0)	LPC	monoacyl	(14:0)	(14:0)	467.3012	4.6059	C22 H46 N1 O7 P1	M+HCOO	1	1	2	16.67	B
LPC(15:0)	LPC(15:0)	LPC	monoacyl	(15:0)	(15:0)	481.3168	6.0547	C23 H48 N1 O7 P1	M+CH3COO	1	1	1	66.67	A
LPC(15:1)	LPC(15:1)	LPC	monoacyl	(15:1)	(15:1)	479.3012	5.1746	C23 H46 N1 O7 P1	M+CH3COO	1	1	1	16.67	A
LPC(16:0)	LPC(16:0)	LPC	monoacyl	(16:0)	(16:0)	495.3325	5.7761	C24 H50 N1 O7 P1	M+HCOO	2	1	3	100	A
LPC(16:1)	LPC(16:1)	LPC	monoacyl	(16:1)	(16:1)	493.3168	4.8978	C24 H48 N1 O7 P1	M+HCOO	2	1	2	83.33	A
LPC(16:2)	LPC(16:2)	LPC	monoacyl	(16:2)	(16:2)	491.3012	4.4937	C24 H46 N1 O7 P1	M+HCOO	1	1	0	66.67	B
LPC(17:1)	LPC(17:1)	LPC	monoacyl	(17:1)	(17:1)	507.3325	5.4099	C25 H50 N1 O7 P1	M+HCOO	1	1	2	66.67	A
LPC(18:0)	LPC(18:0)	LPC	monoacyl	(18:0)	(18:0)	523.3638	7.6044	C26 H54 N1 O7 P1	M+HCOO	2	1	2	83.33	A
LPC(18:1)	LPC(18:1)	LPC	monoacyl	(18:1)	(18:1)	521.3481	6.033	C26 H52 N1 O7 P1	M+HCOO	2	1	8	100	A
LPC(18:1)+D7:(s)	LPC(18:1)+D7:(s)	LPC	Dlabeled FA	(18:1)+D7:(s)	(18:1)+D7:(s)	528.3921	5.8973	C26 H45 D7 N1 O7 P1	M-CH3	2	1	0	83.33	B
LPC(18:2)	LPC(18:2)	LPC	monoacyl	(18:2)	(18:2)	519.3325	5.1967	C26 H50 N1 O7 P1	M+HCOO	2	1	2	83.33	A
LPC(20:2)	LPC(20:2)	LPC	monoacyl	(20:2)	(20:2)	547.3638	6.3667	C28 H54 N1 O7 P1	M+HCOO	1	1	1	33.33	B
LPC(20:3)	LPC(20:3)	LPC	monoacyl	(20:3)	(20:3)	545.3481	5.6713	C28 H52 N1 O7 P1	M+HCOO	1	1	2	50	B
LPC(20:4)	LPC(20:4)	LPC	monoacyl	(20:4)	(20:4)	543.3325	5.1097	C28 H50 N1 O7 P1	M+HCOO	1	1	3	16.67	B
LPC(20:5)	LPC(20:5)	LPC	monoacyl	(20:5)	(20:5)	541.3168	4.3809	C28 H48 N1 O7 P1	M+HCOO	1	1	1	16.67	B
LPC(22:4)	LPC(22:4)	LPC	monoacyl	(22:4)	(22:4)	571.3638	5.9244	C30 H54 N1 O7 P1	M+HCOO	1	1	1	66.67	B
LPC(22:5)	LPC(22:5)	LPC	monoacyl	(22:5)	(22:5)	569.3481	5.3223	C30 H52 N1 O7 P1	M+HCOO	2	1	2	66.67	A
LPC(22:6)	LPC(22:6)	LPC	monoacyl	(22:6)	(22:6)	567.3325	5.048	C30 H50 N1 O7 P1	M+HCOO	2	1	1	100	A
LPC(O-16:0)	LPC(O-16:0)	LPC	monoalkyl	(O-16:0)	(O-16:0)	481.3532	6.6196	C24 H52 N1 O6 P1	M+HCOO	1	1	1	16.67	C
LPC(O-17:1)	LPC(O-17:1)	LPC	monoalkyl	(O-17:1)	(O-17:1)	493.3532	6.8198	C25 H52 N1 O6 P1	M+CH3COO	1	1	0	16.67	C
LPC(O-18:1)	LPC(O-18:1)	LPC	monoalkyl	(O-18:1)	(O-18:1)	507.3689	6.8156	C26 H54 N1 O6 P1	M+HCOO	1	1	4	66.67	C
LPC(P-15:2)	LPC(P-15:2)	LPC	monoalkenyl	(P-15:2)	(P-15:2)	461.2906	6.4557	C23 H44 N1 O6 P1	M+HCOO	1	1	0	16.67	A
LPE(16:0)	LPE(16:0)	LPE	monoacyl	(16:0)	(16:0)	453.2855	6.0657	C21 H44 N1 O7 P1	M-H	1	1	2	83.33	A
LPE(16:1)	LPE(16:1)	LPE	monoacyl	(16:1)	(16:1)	451.2699	4.928	C21 H42 N1 O7 P1	M-H	1	1	2	83.33	C
LPE(18:0)	LPE(18:0)	LPE	monoacyl	(18:0)	(18:0)	481.3168	7.6405	C23 H48 N1 O7 P1	M-H	1	1	2	100	A
LPE(18:1)	LPE(18:1)	LPE	monoacyl	(18:1)	(18:1)	479.3012	6.0568	C23 H46 N1 O7 P1	M-H	1	1	4	100	A
LPE(18:1)+D7:(s)	LPE(18:1)+D7:(s)	LPE	Dlabeled FA	(18:1)+D7:(s)	(18:1)+D7:(s)	486.3451	6.3633	C23 H39 D7 N1 O7 P1	M-H	1	1	0	100	B
LPE(18:2)	LPE(18:2)	LPE	monoacyl	(18:2)	(18:2)	477.2855	5.3245	C23 H44 N1 O7 P1	M-H	1	1	2	83.33	A
LPE(20:2)	LPE(20:2)	LPE	monoacyl	(20:2)	(20:2)	505.3168	6.6218	C25 H48 N1 O7 P1	M-H	1	1	2	33.33	C
LPE(20:3)	LPE(20:3)	LPE	monoacyl	(20:3)	(20:3)	503.3012	6.0313	C25 H46 N1 O7 P1	M-H	1	1	6	50	C
LPE(20:4)	LPE(20:4)	LPE	monoacyl	(20:4)	(20:4)	501.2855	5.1913	C25 H44 N1 O7 P1	M-H	1	1	4	66.67	A
LPE(20:5)	LPE(20:5)	LPE	monoacyl	(20:5)	(20:5)	499.2699	4.6632	C25 H42 N1 O7 P1	M-H	1	1	2	100	A
LPE(22:4)	LPE(22:4)	LPE	monoacyl	(22:4)	(22:4)	529.3168	5.9665	C27 H48 N1 O7 P1	M-H	1	1	2	16.67	C
LPE(22:5)	LPE(22:5)	LPE	monoacyl	(22:5)	(22:5)	527.3012	5.4918	C27 H46 N1 O7 P1	M-H	1	1	4	16.67	C
LPE(22:6)	LPE(22:6)	LPE	monoacyl	(22:6)	(22:6)	525.2855	5.084	C27 H44 N1 O7 P1	M-H	1	1	2	66.67	A
LPE(O-16:1)	LPE(O-16:1)	LPE	monoalkyl	(O-16:1)	(O-16:1)	437.2906	6.5943	C21 H44 N1 O6 P1	M-H	1	1	0	66.67	C
LPE(O-18:1)	LPE(O-18:1)	LPE	monoalkyl	(O-18:1)	(O-18:1)	465.3219	7.0366	C23 H48 N1 O6 P1	M-H	1	1	1	16.67	C
LPE(O-18:2)	LPE(O-18:2)	LPE	monoalkyl	(O-18:2)	(O-18:2)	463.3063	6.919	C23 H46 N1 O6 P1	M-H	1	1	0	83.33	C
LPE(P-18:1)	LPE(P-18:1)	LPE	monoalkenyl	(P-18:1)	(P-18:1)	463.3063	6.9158	C23 H46 N1 O6 P1	M-H	1	1	0	33.33	C
LPS(22:6)	LPS(22:6)	LPS	monoacyl	(22:6)	(22:6)	569.2754	5.3197	C28 H44 N1 O9 P1	M-H	1	1	1	16.67	C
MGDG(18:1_16:0)	MGDG(34:1)	MGDG	Monogalactosyldiacylglycerol	(18:1_16:0)	(34:1)	756.5752	20.7278	C43 H80 O10	M+HCOO	1	1	0	16.67	C
MGDG(20:4_20:4)	MGDG(40:8)	MGDG	Monogalactosyldiacylglycerol	(20:4_20:4)	(40:8)	826.5595	19.8164	C49 H78 O10	M-H	1	1	0	16.67	C
MGDG(20:4_22:4)	MGDG(42:8)	MGDG	Monogalactosyldiacylglycerol	(20:4_22:4)	(42:8)	854.5908	22.5824	C51 H82 O10	M-H	1	1	0	16.67	C
MGDG(20:4_22:5)	MGDG(42:9)	MGDG	Monogalactosyldiacylglycerol	(20:4_22:5)	(42:9)	852.5752	20.2208	C51 H80 O10	M-H	1	1	0	16.67	C
MGMG(16:0)	MGMG(16:0)	MGMG	Monogalactosylmonoacylglycerol	(16:0)	(16:0)	492.3298	6.3987	C25 H48 O9	M+HCOO	2	1	0	83.33	A
MGMG(16:1)	MGMG(16:1)	MGMG	Monogalactosylmonoacylglycerol	(16:1)	(16:1)	490.3142	5.3723	C25 H46 O9	M+HCOO	1	1	0	50	A
MGMG(18:1)	MGMG(18:1)	MGMG	Monogalactosylmonoacylglycerol	(18:1)	(18:1)	518.3455	6.4703	C27 H50 O9	M+HCOO	1	1	0	16.67	A
PA(O-25:2_2:0)	PA(O-27:2)	PA	alkyl-acyl	(O-25:2_2:0)	(O-27:2)	560.3842	5.6933	C30 H57 O7 P1	M-H	1	1	0	66.67	C
PA(O-26:3_2:0)	PA(O-28:3)	PA	alkyl-acyl	(O-26:3_2:0)	(O-28:3)	572.3842	6.1674	C31 H57 O7 P1	M-H	1	1	0	33.33	C
PC(14:0_16:0)	PC(30:0)	PC	diacyl	(14:0_16:0)	(30:0)	705.5309	17.1601	C38 H76 N1 O8 P1	M+HCOO	1	1	2	16.67	A
PC(15:0_16:0COOH)	PC(31:0COOH)	PC	carboxylic	(15:0_16:0COOH)	(31:0COOH)	749.5207	16.6184	C39 H76 N1 O10 P1	M+CH3COO	1	1	0	16.67	C
PC(15:0_18:1)+D7:(s)	PC(33:1)+D7:(s)	PC	Dlabeled FA	(15:0_18:1)+D7:(s)	(33:1)+D7:(s)	752.6061	19.2384	C41 H73 D7 N1 O8 P1	M+HCOO	2	2	0	16.67	A
PC(15:0_20:5)	PC(35:5)	PC	diacyl	(15:0_20:5)	(35:5)	765.5309	16.6606	C43 H76 N1 O8 P1	M+CH3COO	1	1	10	16.67	C
PC(16:0_16:0)	PC(32:0)	PC	diacyl	(16:0_16:0)	(32:0)	733.5622	20.1468	C40 H80 N1 O8 P1	M+HCOO	2	1	1	33.33	A
PC(16:0_16:1)	PC(32:1)	PC	diacyl	(16:0_16:1)	(32:1)	731.5465	17.8246	C40 H78 N1 O8 P1	M-CH3	1	3	16	16.67	C
PC(16:0_18:0)	PC(34:0)	PC	diacyl	(16:0_18:0)	(34:0)	761.5935	23.6776	C42 H84 N1 O8 P1	M+HCOO	1	1	13	33.33	C
PC(16:0_18:1)	PC(34:1)	PC	diacyl	(16:0_18:1)	(34:1)	759.5778	20.5504	C42 H82 N1 O8 P1	M+HCOO	2	2	8	100	A
PC(16:0_18:2)	PC(34:2)	PC	diacyl	(16:0_18:2)	(34:2)	757.5622	21.0583	C42 H80 N1 O8 P1	M+HCOO	1	2	12	33.33	A
PC(16:0_19:0COOH)	PC(35:0COOH)	PC	carboxylic	(16:0_19:0COOH)	(35:0COOH)	805.5833	22.8692	C43 H84 N1 O10 P1	M-H	1	1	0	16.67	C
PC(16:0_20:0)	PC(36:0)	PC	diacyl	(16:0_20:0)	(36:0)	789.6248	20.8575	C44 H88 N1 O8 P1	M-CH3	1	1	12	16.67	C
PC(16:0_20:4)	PC(36:4)	PC	diacyl	(16:0_20:4)	(36:4)	781.5622	18.6511	C44 H80 N1 O8 P1	M+HCOO	1	2	4	16.67	A
PC(16:0_20:5)	PC(36:5)	PC	diacyl	(16:0_20:5)	(36:5)	779.5465	16.6991	C44 H78 N1 O8 P1	M+HCOO	1	2	2	16.67	A
PC(16:0_22:6)	PC(38:6)	PC	diacyl	(16:0_22:6)	(38:6)	805.5622	17.2258	C46 H80 N1 O8 P1	M+HCOO	1	3	4	50	A
PC(16:1_16:1)	PC(32:2)	PC	diacyl	(16:1_16:1)	(32:2)	729.5309	17.7351	C40 H76 N1 O8 P1	M+HCOO	1	2	2	33.33	A
PC(16:1_18:1)	PC(34:2)	PC	diacyl	(16:1_18:1)	(34:2)	757.5622	20.7477	C42 H80 N1 O8 P1	M+HCOO	1	2	5	83.33	A
PC(16:1_20:5)	PC(36:6)	PC	diacyl	(16:1_20:5)	(36:6)	777.5309	17.797	C44 H76 N1 O8 P1	M-CH3	1	2	17	16.67	C
PC(18:0_18:1)	PC(36:1)	PC	diacyl	(18:0_18:1)	(36:1)	787.6091	21.6637	C44 H86 N1 O8 P1	M+HCOO	1	1	10	83.33	A
PC(18:0_20:4)	PC(38:4)	PC	diacyl	(18:0_20:4)	(38:4)	809.5935	20.8374	C46 H84 N1 O8 P1	M+HCOO	1	2	4	50	A
PC(18:0_20:5)	PC(38:5)	PC	diacyl	(18:0_20:5)	(38:5)	807.5778	20.5261	C46 H82 N1 O8 P1	M+HCOO	1	4	3	33.33	B
PC(18:0_22:6)	PC(40:6)	PC	diacyl	(18:0_22:6)	(40:6)	833.5935	20.0129	C48 H84 N1 O8 P1	M+HCOO	1	2	3	66.67	A
PC(18:1_15:0)	PC(33:1)	PC	diacyl	(18:1_15:0)	(33:1)	745.5622	20.2862	C41 H80 N1 O8 P1	M+CH3COO	1	1	15	16.67	C
PC(18:1_18:1)	PC(36:2)	PC	diacyl	(18:1_18:1)	(36:2)	785.5935	20.6976	C44 H84 N1 O8 P1	M+HCOO	1	1	21	100	A
PC(18:1_20:1)	PC(38:2)	PC	diacyl	(18:1_20:1)	(38:2)	813.6248	23.8746	C46 H88 N1 O8 P1	M+HCOO	1	1	3	33.33	B
PC(18:1_20:4)	PC(38:5)	PC	diacyl	(18:1_20:4)	(38:5)	807.5778	18.799	C46 H82 N1 O8 P1	M+HCOO	1	4	7	16.67	B
PC(18:1_20:5)	PC(38:6)	PC	diacyl	(18:1_20:5)	(38:6)	805.5622	16.5469	C46 H80 N1 O8 P1	M+HCOO	1	3	4	16.67	B
PC(19:1_18:1)	PC(37:2)	PC	diacyl	(19:1_18:1)	(37:2)	799.6091	22.1578	C45 H86 N1 O8 P1	M+CH3COO	1	1	14	16.67	C
PC(20:4_20:5)	PC(40:9)	PC	diacyl	(20:4_20:5)	(40:9)	827.5465	17.34	C48 H78 N1 O8 P1	M-CH3	1	1	6	16.67	C
PC(20:5_20:5)	PC(40:10)	PC	diacyl	(20:5_20:5)	(40:10)	825.5309	14.9581	C48 H76 N1 O8 P1	M-CH3	1	1	3	16.67	C
PC(20:5_22:6)	PC(42:11)	PC	diacyl	(20:5_22:6)	(42:11)	851.5465	18.6174	C50 H78 N1 O8 P1	M-CH3	1	1	2	16.67	C
PC(22:6_22:6)	PC(44:12)	PC	diacyl	(22:6_22:6)	(44:12)	877.5622	17.3893	C52 H80 N1 O8 P1	M-CH3	1	1	1	16.67	C
PC(30:2_6:1COOH)	PC(36:3COOH)	PC	carboxylic	(30:2_6:1COOH)	(36:3COOH)	813.552	23.351	C44 H80 N1 O10 P1	M+CH3COO	1	3	0	50	C
PC(31:1)	PC(31:1)	PC	diacyl	(31:1)	(31:1)	717.5309	23.171	C39 H76 N1 O8 P1	M+CH3COO	1	1	13	16.67	C
PC(O-13:0_20:1)	PC(O-33:1)	PC	alkyl-acyl	(O-13:0_20:1)	(O-33:1)	731.5829	23.8738	C41 H82 N1 O7 P1	M+CH3COO	1	4	0	16.67	C
PC(O-14:1_20:4)	PC(O-34:5)	PC	alkyl-acyl	(O-14:1_20:4)	(O-34:5)	737.5359	20.7719	C42 H76 N1 O7 P1	M-CH3	1	1	0	16.67	C
PC(O-14:1_20:5)	PC(O-34:6)	PC	alkyl-acyl	(O-14:1_20:5)	(O-34:6)	735.5203	18.7105	C42 H74 N1 O7 P1	M-CH3	1	1	0	16.67	C
PC(O-14:1_22:6)	PC(O-36:7)	PC	alkyl-acyl	(O-14:1_22:6)	(O-36:7)	761.5359	20.9638	C44 H76 N1 O7 P1	M-CH3	1	2	0	16.67	C
PC(O-15:0_18:1)	PC(O-33:1)	PC	alkyl-acyl	(O-15:0_18:1)	(O-33:1)	731.5829	24.0568	C41 H82 N1 O7 P1	M+CH3COO	1	4	0	16.67	C
PC(O-16:0_16:0)	PC(O-32:0)	PC	alkyl-acyl	(O-16:0_16:0)	(O-32:0)	719.5829	23.5674	C40 H82 N1 O7 P1	M+HCOO	1	1	0	33.33	C
PC(O-16:1_16:0)	PC(O-32:1)	PC	alkyl-acyl	(O-16:1_16:0)	(O-32:1)	717.5672	19.7948	C40 H80 N1 O7 P1	M+HCOO	1	1	0	16.67	B
PC(O-16:1_2:0)	PC(O-18:1)	PC	alkyl-acyl	(O-16:1_2:0)	(O-18:1)	521.3481	7.9491	C26 H52 N1 O7 P1	M+HCOO	1	1	0	16.67	B
PC(O-16:2_17:1)	PC(O-33:3)	PC	alkyl-acyl	(O-16:2_17:1)	(O-33:3)	727.5516	20.9222	C41 H78 N1 O7 P1	M-CH3	1	1	0	16.67	C
PC(O-16:2_18:2)	PC(O-34:4)	PC	alkyl-acyl	(O-16:2_18:2)	(O-34:4)	739.5516	20.2632	C42 H78 N1 O7 P1	M-CH3	1	1	0	16.67	C
PC(O-16:2_20:2)	PC(O-36:4)	PC	alkyl-acyl	(O-16:2_20:2)	(O-36:4)	767.5829	21.5403	C44 H82 N1 O7 P1	M-CH3	1	1	0	16.67	C
PC(O-16:2_22:6)	PC(O-38:8)	PC	alkyl-acyl	(O-16:2_22:6)	(O-38:8)	787.5516	20.9529	C46 H78 N1 O7 P1	M-CH3	1	1	0	16.67	C
PC(O-18:1_16:0)	PC(O-34:1)	PC	alkyl-acyl	(O-18:1_16:0)	(O-34:1)	745.5985	21.3015	C42 H84 N1 O7 P1	M+HCOO	1	2	0	100	B
PC(O-18:1_17:1)	PC(O-35:2)	PC	alkyl-acyl	(O-18:1_17:1)	(O-35:2)	757.5985	23.8901	C43 H84 N1 O7 P1	M+CH3COO	1	1	0	16.67	C
PC(O-18:1_18:1)	PC(O-36:2)	PC	alkyl-acyl	(O-18:1_18:1)	(O-36:2)	771.6142	20.9423	C44 H86 N1 O7 P1	M+HCOO	1	1	0	66.67	B
PC(O-18:1_20:4)	PC(O-38:5)	PC	alkyl-acyl	(O-18:1_20:4)	(O-38:5)	793.5985	20.4287	C46 H84 N1 O7 P1	M+HCOO	1	1	0	33.33	B
PC(O-18:1_20:5)	PC(O-38:6)	PC	alkyl-acyl	(O-18:1_20:5)	(O-38:6)	791.5829	18.9192	C46 H82 N1 O7 P1	M+HCOO	1	4	0	16.67	B
PC(O-18:1_22:6)	PC(O-40:7)	PC	alkyl-acyl	(O-18:1_22:6)	(O-40:7)	817.5985	20.0886	C48 H84 N1 O7 P1	M+HCOO	1	1	0	16.67	B
PC(O-18:2_18:1)	PC(O-36:3)	PC	alkyl-acyl	(O-18:2_18:1)	(O-36:3)	769.5985	23.7757	C44 H84 N1 O7 P1	M-CH3	1	1	0	16.67	C
PC(O-18:4_2:0)	PC(O-20:4)	PC	alkyl-acyl	(O-18:4_2:0)	(O-20:4)	543.3325	5.3933	C28 H50 N1 O7 P1	M+HCOO	1	1	0	16.67	B
PC(O-20:6_18:0)	PC(O-38:6)	PC	alkyl-acyl	(O-20:6_18:0)	(O-38:6)	791.5829	20.065	C46 H82 N1 O7 P1	M+HCOO	1	4	0	16.67	C
PC(O-33:1)	PC(O-33:1)	PC	alkyl-acyl	(O-33:1)	(O-33:1)	731.5829	24.1261	C41 H82 N1 O7 P1	M+CH3COO	1	4	0	16.67	C
PC(O-38:6)	PC(O-38:6)	PC	alkyl-acyl	(O-38:6)	(O-38:6)	791.5829	19.4438	C46 H82 N1 O7 P1	M+HCOO	1	4	0	16.67	C
PE(15:0_18:1)+D7:(s)	PE(33:1)+D7:(s)	PE	Dlabeled FA	(15:0_18:1)+D7:(s)	(33:1)+D7:(s)	710.5591	19.6833	C38 H67 D7 N1 O8 P1	M-H	1	1	0	16.67	A
PE(16:0_16:1)	PE(32:1)	PE	diacyl	(16:0_16:1)	(32:1)	689.4996	19.0613	C37 H72 N1 O8 P1	M-H	1	1	15	16.67	C
PE(16:0_18:1)	PE(34:1)	PE	diacyl	(16:0_18:1)	(34:1)	717.5309	20.5031	C39 H76 N1 O8 P1	M-H	1	2	4	100	A
PE(16:0_20:4)	PE(36:4)	PE	diacyl	(16:0_20:4)	(36:4)	739.5152	19.2652	C41 H74 N1 O8 P1	M-H	1	1	2	16.67	A
PE(16:0_20:5)	PE(36:5)	PE	diacyl	(16:0_20:5)	(36:5)	737.4996	16.724	C41 H72 N1 O8 P1	M-H	1	2	2	16.67	A
PE(16:0_22:6)	PE(38:6)	PE	diacyl	(16:0_22:6)	(38:6)	763.5152	18.5831	C43 H74 N1 O8 P1	M-H	1	4	2	16.67	A
PE(16:1_18:1)	PE(34:2)	PE	diacyl	(16:1_18:1)	(34:2)	715.5152	18.8751	C39 H74 N1 O8 P1	M-H	1	1	16	16.67	C
PE(16:1_20:4)	PE(36:5)	PE	diacyl	(16:1_20:4)	(36:5)	737.4996	16.1684	C41 H72 N1 O8 P1	M-H	1	2	12	16.67	C
PE(16:1_22:6)	PE(38:7)	PE	diacyl	(16:1_22:6)	(38:7)	761.4996	15.5766	C43 H72 N1 O8 P1	M-H	1	2	10	16.67	C
PE(17:1)	PE(17:1)	PE	diacyl	(17:1)	(17:1)	479.2648	5.3024	C22 H42 N1 O8 P1	M-H	1	1	0	33.33	C
PE(18:0_18:1)	PE(36:1)	PE	diacyl	(18:0_18:1)	(36:1)	745.5622	21.7134	C41 H80 N1 O8 P1	M-H	1	2	5	16.67	A
PE(18:0_20:0)	PE(38:0)	PE	diacyl	(18:0_20:0)	(38:0)	775.6091	20.8387	C43 H86 N1 O8 P1	M-H	1	2	3	16.67	B
PE(18:0_20:3)	PE(38:3)	PE	diacyl	(18:0_20:3)	(38:3)	769.5622	21.7008	C43 H80 N1 O8 P1	M-H	1	1	2	16.67	B
PE(18:0_20:4)	PE(38:4)	PE	diacyl	(18:0_20:4)	(38:4)	767.5465	20.6145	C43 H78 N1 O8 P1	M-H	1	2	3	83.33	A
PE(18:0_20:5)	PE(38:5)	PE	diacyl	(18:0_20:5)	(38:5)	765.5309	20.6203	C43 H76 N1 O8 P1	M-H	1	2	2	66.67	A
PE(18:0_22:4)	PE(40:4)	PE	diacyl	(18:0_22:4)	(40:4)	795.5778	21.0131	C45 H82 N1 O8 P1	M-H	1	2	15	16.67	C
PE(18:0_22:6)	PE(40:6)	PE	diacyl	(18:0_22:6)	(40:6)	791.5465	20.6828	C45 H78 N1 O8 P1	M-H	1	1	2	100	A
PE(18:1_18:1)	PE(36:2)	PE	diacyl	(18:1_18:1)	(36:2)	743.5465	20.4556	C41 H78 N1 O8 P1	M-H	1	6	3	50	A
PE(18:1_20:1)	PE(38:2)	PE	diacyl	(18:1_20:1)	(38:2)	771.5778	21.6748	C43 H82 N1 O8 P1	M-H	1	1	16	16.67	C
PE(18:1_20:4)	PE(38:5)	PE	diacyl	(18:1_20:4)	(38:5)	765.5309	19.3809	C43 H76 N1 O8 P1	M-H	1	2	2	16.67	A
PE(18:1_20:5)	PE(38:6)	PE	diacyl	(18:1_20:5)	(38:6)	763.5152	17.5631	C43 H74 N1 O8 P1	M-H	1	4	2	16.67	A
PE(18:1_22:6)	PE(40:7)	PE	diacyl	(18:1_22:6)	(40:7)	789.5309	18.3622	C45 H76 N1 O8 P1	M-H	1	1	2	16.67	A
PE(18:2_20:4)	PE(38:6)	PE	diacyl	(18:2_20:4)	(38:6)	763.5152	17.3808	C43 H74 N1 O8 P1	M-H	1	4	12	16.67	C
PE(18:2_22:6)	PE(40:8)	PE	diacyl	(18:2_22:6)	(40:8)	787.5152	16.1602	C45 H74 N1 O8 P1	M-H	1	2	7	16.67	C
PE(19:1)	PE(19:1)	PE	diacyl	(19:1)	(19:1)	507.2961	6.4493	C24 H46 N1 O8 P1	M-H	1	1	0	83.33	C
PE(20:1_16:0)	PE(36:1)	PE	diacyl	(20:1_16:0)	(36:1)	745.5622	23.9073	C41 H80 N1 O8 P1	M-H	1	2	4	16.67	B
PE(20:4_20:4)	PE(40:8)	PE	diacyl	(20:4_20:4)	(40:8)	787.5152	16.6144	C45 H74 N1 O8 P1	M-H	1	2	7	16.67	C
PE(20:4_22:5)	PE(42:9)	PE	diacyl	(20:4_22:5)	(42:9)	813.5309	17.0185	C47 H76 N1 O8 P1	M-H	1	1	4	16.67	C
PE(20:4_22:6)	PE(42:10)	PE	diacyl	(20:4_22:6)	(42:10)	811.5152	15.8488	C47 H74 N1 O8 P1	M-H	1	3	2	16.67	B
PE(20:5_22:5)	PE(42:10)	PE	diacyl	(20:5_22:5)	(42:10)	811.5152	15.375	C47 H74 N1 O8 P1	M-H	1	3	3	16.67	C
PE(21:1)	PE(21:1)	PE	diacyl	(21:1)	(21:1)	535.3274	7.8225	C26 H50 N1 O8 P1	M-H	1	1	0	16.67	C
PE(21:3CHO_18:1)	PE(39:4CHO)	PE	aldehyde	(21:3CHO_18:1)	(39:4CHO)	795.5414	21.7524	C44 H78 N1 O9 P1	M-H	1	1	0	16.67	C
PE(21:4)	PE(21:4)	PE	diacyl	(21:4)	(21:4)	529.2805	5.4502	C26 H44 N1 O8 P1	M-H	1	1	0	33.33	C
PE(22:3_18:1)	PE(40:4)	PE	diacyl	(22:3_18:1)	(40:4)	795.5778	21.6554	C45 H82 N1 O8 P1	M-H	1	2	15	16.67	C
PE(22:5_22:6)	PE(44:11)	PE	diacyl	(22:5_22:6)	(44:11)	837.5309	15.907	C49 H76 N1 O8 P1	M-H	1	1	0	16.67	A
PE(22:6_22:6)	PE(44:12)	PE	diacyl	(22:6_22:6)	(44:12)	835.5152	15.2511	C49 H74 N1 O8 P1	M-H	1	1	1	16.67	A
PE(22:6_24:6)	PE(46:12)	PE	diacyl	(22:6_24:6)	(46:12)	863.5465	17.7132	C51 H78 N1 O8 P1	M-H	1	1	0	16.67	C
PE(23:6)	PE(23:6)	PE	diacyl	(23:6)	(23:6)	553.2805	5.3519	C28 H44 N1 O8 P1	M-H	1	1	0	50	C
PE(24:5_16:0)	PE(40:5)	PE	diacyl	(24:5_16:0)	(40:5)	793.5622	21.3701	C45 H80 N1 O8 P1	M-H	1	1	14	16.67	C
PE(38:0)	PE(38:0)	PE	diacyl	(38:0)	(38:0)	775.6091	23.5416	C43 H86 N1 O8 P1	M-H	1	2	8	16.67	C
PE(O-16:1_16:1)	PE(O-32:2)	PE	alkyl-acyl	(O-16:1_16:1)	(O-32:2)	673.5046	19.8443	C37 H72 N1 O7 P1	M-H	1	1	0	16.67	C
PE(O-16:1_20:3)	PE(O-36:4)	PE	alkyl-acyl	(O-16:1_20:3)	(O-36:4)	725.5359	23.0218	C41 H76 N1 O7 P1	M-H	1	3	0	16.67	C
PE(O-16:1_20:4)	PE(O-36:5)	PE	alkyl-acyl	(O-16:1_20:4)	(O-36:5)	723.5203	20.3281	C41 H74 N1 O7 P1	M-H	1	2	0	83.33	B
PE(O-16:1_20:5)	PE(O-36:6)	PE	alkyl-acyl	(O-16:1_20:5)	(O-36:6)	721.5046	18.7742	C41 H72 N1 O7 P1	M-H	1	1	0	16.67	B
PE(O-16:1_22:6)	PE(O-38:7)	PE	alkyl-acyl	(O-16:1_22:6)	(O-38:7)	747.5203	19.5005	C43 H74 N1 O7 P1	M-H	1	4	0	16.67	B
PE(O-16:2_16:1)	PE(O-32:3)	PE	alkyl-acyl	(O-16:2_16:1)	(O-32:3)	671.489	17.8379	C37 H70 N1 O7 P1	M-H	1	1	0	16.67	C
PE(O-16:2_22:6)	PE(O-38:8)	PE	alkyl-acyl	(O-16:2_22:6)	(O-38:8)	745.5046	17.701	C43 H72 N1 O7 P1	M-H	1	2	0	16.67	C
PE(O-18:1_18:1)	PE(O-36:2)	PE	alkyl-acyl	(O-18:1_18:1)	(O-36:2)	729.5672	22.8866	C41 H80 N1 O7 P1	M-H	1	3	0	66.67	B
PE(O-18:1_20:3)	PE(O-38:4)	PE	alkyl-acyl	(O-18:1_20:3)	(O-38:4)	753.5672	23.3627	C43 H80 N1 O7 P1	M-H	1	4	0	16.67	C
PE(O-18:1_20:4)	PE(O-38:5)	PE	alkyl-acyl	(O-18:1_20:4)	(O-38:5)	751.5516	23.2048	C43 H78 N1 O7 P1	M-H	1	3	0	16.67	B
PE(O-18:1_22:6)	PE(O-40:7)	PE	alkyl-acyl	(O-18:1_22:6)	(O-40:7)	775.5516	19.8075	C45 H78 N1 O7 P1	M-H	1	3	0	16.67	C
PE(O-18:2_16:0)	PE(O-34:2)	PE	alkyl-acyl	(O-18:2_16:0)	(O-34:2)	701.5359	21.1319	C39 H76 N1 O7 P1	M-H	1	3	0	83.33	B
PE(O-18:2_16:1)	PE(O-34:3)	PE	alkyl-acyl	(O-18:2_16:1)	(O-34:3)	699.5203	20.3592	C39 H74 N1 O7 P1	M-H	1	3	0	50	B
PE(O-18:2_16:2)	PE(O-34:4)	PE	alkyl-acyl	(O-18:2_16:2)	(O-34:4)	697.5046	19.6048	C39 H72 N1 O7 P1	M-H	1	1	0	16.67	C
PE(O-18:2_17:1)	PE(O-35:3)	PE	alkyl-acyl	(O-18:2_17:1)	(O-35:3)	713.5359	20.5269	C40 H76 N1 O7 P1	M-H	1	1	0	16.67	C
PE(O-18:2_18:1)	PE(O-36:3)	PE	alkyl-acyl	(O-18:2_18:1)	(O-36:3)	727.5516	21.2401	C41 H78 N1 O7 P1	M-H	1	1	0	50	B
PE(O-18:2_18:2)	PE(O-36:4)	PE	alkyl-acyl	(O-18:2_18:2)	(O-36:4)	725.5359	20.204	C41 H76 N1 O7 P1	M-H	1	3	0	16.67	B
PE(O-18:2_20:1)	PE(O-38:3)	PE	alkyl-acyl	(O-18:2_20:1)	(O-38:3)	755.5829	21.8393	C43 H82 N1 O7 P1	M-H	1	2	0	16.67	B
PE(O-18:2_20:2)	PE(O-38:4)	PE	alkyl-acyl	(O-18:2_20:2)	(O-38:4)	753.5672	21.1248	C43 H80 N1 O7 P1	M-H	1	4	0	66.67	B
PE(O-18:2_20:3)	PE(O-38:5)	PE	alkyl-acyl	(O-18:2_20:3)	(O-38:5)	751.5516	21.5838	C43 H78 N1 O7 P1	M-H	1	3	0	50	B
PE(O-18:2_20:4)	PE(O-38:6)	PE	alkyl-acyl	(O-18:2_20:4)	(O-38:6)	749.5359	20.1591	C43 H76 N1 O7 P1	M-H	1	2	0	100	B
PE(O-18:2_20:5)	PE(O-38:7)	PE	alkyl-acyl	(O-18:2_20:5)	(O-38:7)	747.5203	18.5847	C43 H74 N1 O7 P1	M-H	1	4	0	16.67	B
PE(O-18:2_22:5)	PE(O-40:7)	PE	alkyl-acyl	(O-18:2_22:5)	(O-40:7)	775.5516	22.6601	C45 H78 N1 O7 P1	M-H	1	3	0	33.33	B
PE(O-18:2_22:6)	PE(O-40:8)	PE	alkyl-acyl	(O-18:2_22:6)	(O-40:8)	773.5359	19.5465	C45 H76 N1 O7 P1	M-H	1	3	0	16.67	B
PE(O-18:3_20:2)	PE(O-38:5)	PE	alkyl-acyl	(O-18:3_20:2)	(O-38:5)	751.5516	21.4334	C43 H78 N1 O7 P1	M-H	1	3	0	16.67	B
PE(O-18:3_20:5)	PE(O-38:8)	PE	alkyl-acyl	(O-18:3_20:5)	(O-38:8)	745.5046	17.4407	C43 H72 N1 O7 P1	M-H	1	2	0	16.67	C
PE(O-20:2_20:1)	PE(O-40:3)	PE	alkyl-acyl	(O-20:2_20:1)	(O-40:3)	783.6142	25.4262	C45 H86 N1 O7 P1	M-H	1	1	0	16.67	C
PE(O-20:6_18:1)	PE(O-38:7)	PE	alkyl-acyl	(O-20:6_18:1)	(O-38:7)	747.5203	21.1493	C43 H74 N1 O7 P1	M-H	1	4	0	16.67	B
PE(O-22:7_18:1)	PE(O-40:8)	PE	alkyl-acyl	(O-22:7_18:1)	(O-40:8)	773.5359	21.1846	C45 H76 N1 O7 P1	M-H	1	3	0	16.67	B
PG(15:0_18:1)+D7:(s)	PG(33:1)+D7:(s)	PG	Dlabeled FA	(15:0_18:1)+D7:(s)	(33:1)+D7:(s)	741.5537	15.9631	C39 H68 D7 O10 P1	M-H	1	1	0	16.67	B
PI(15:0_18:1)+D7:(s)	PI(33:1)+D7:(s)	PI	Dlabeled FA	(15:0_18:1)+D7:(s)	(33:1)+D7:(s)	829.5698	15.528	C42 H72 D7 O13 P1	M-H	1	2	0	16.67	A
PI(18:0_20:4)	PI(38:4)	PI	diacyl	(18:0_20:4)	(38:4)	886.5571	17.2565	C47 H83 O13 P1	M-H	1	3	2	16.67	B
PI(18:1_15:0)+D7:(s)	PI(33:1)+D7:(s)	PI	Dlabeled FA	(18:1_15:0)+D7:(s)	(33:1)+D7:(s)	829.5698	15.8564	C42 H72 D7 O13 P1	M-H	1	2	0	16.67	B
PI(18:1_20:4)	PI(38:5)	PI	diacyl	(18:1_20:4)	(38:5)	884.5415	15.519	C47 H81 O13 P1	M-H	1	4	2	33.33	A
PI(20:4_18:1)	PI(38:5)	PI	diacyl	(20:4_18:1)	(38:5)	884.5415	18.1163	C47 H81 O13 P1	M-H	1	4	14	16.67	C
PI(22:6_18:0)	PI(40:6)	PI	diacyl	(22:6_18:0)	(40:6)	910.5571	17.0958	C49 H83 O13 P1	M-H	1	2	11	16.67	C
PI(40:6)	PI(40:6)	PI	diacyl	(40:6)	(40:6)	910.5571	17.1664	C49 H83 O13 P1	M-H	1	2	11	16.67	C
PS(15:0_18:1)+D7:(s)	PS(33:1)+D7:(s)	PS	Dlabeled FA	(15:0_18:1)+D7:(s)	(33:1)+D7:(s)	754.549	17.8432	C39 H67 D7 N1 O10 P1	M-H	1	3	0	33.33	A
PS(18:0_18:1)	PS(36:1)	PS	diacyl	(18:0_18:1)	(36:1)	789.552	23.425	C42 H80 N1 O10 P1	M-H	1	3	2	33.33	A
SM(d18:1_16:0)	SM(d34:1)	SM	acyl	(d18:1_16:0)	(d34:1)	702.5676	17.7733	C39 H79 N2 O6 P1	M+HCOO	1	3	1	16.67	B
SM(d18:1_18:1)+D9:(s)	SM(d36:2)+D9:(s)	SM	sphingomyelin_D7LCB	(d18:1_18:1)+D9:(s)	(d36:2)+D9:(s)	737.6397	19.8311	C41 H72 D9 N2 O6 P1	M+HCOO	1	2	0	66.67	B
SM(d34:1)	SM(d34:1)	SM	acyl	(d34:1)	(d34:1)	702.5676	17.5359	C39 H79 N2 O6 P1	M+HCOO	1	3	3	16.67	C
SM(d36:1)	SM(d36:1)	SM	acyl	(d36:1)	(d36:1)	730.5989	20.402	C41 H83 N2 O6 P1	M+HCOO	1	1	3	100	C
SM(d36:2)+D9:(s)	SM(d36:2)+D9:(s)	SM	sphingomyelin_D7LCB	(d36:2)+D9:(s)	(d36:2)+D9:(s)	737.6397	17.2341	C41 H72 D9 N2 O6 P1	M+HCOO	1	2	0	16.67	C
SM(d40:1)	SM(d40:1)	SM	acyl	(d40:1)	(d40:1)	786.6615	23.2248	C45 H91 N2 O6 P1	M+HCOO	1	1	2	50	C
SM(d42:1)	SM(d42:1)	SM	acyl	(d42:1)	(d42:1)	814.6928	24.1726	C47 H95 N2 O6 P1	M+HCOO	1	1	2	33.33	C
SM(d42:3)	SM(d42:3)	SM	acyl	(d42:3)	(d42:3)	810.6615	21.6107	C47 H91 N2 O6 P1	M+HCOO	1	1	1	33.33	C
SM(t36:0)	SM(t36:0)	SM	phytosphingomyelins	(t36:0)	(t36:0)	748.6094	23.6279	C41 H85 N2 O7 P1	M+HCOO	1	1	0	16.67	C
SM(t37:4)	SM(t37:4)	SM	phytosphingomyelins	(t37:4)	(t37:4)	754.5625	19.9458	C42 H79 N2 O7 P1	M+HCOO	1	1	0	16.67	C
SM(t39:3)	SM(t39:3)	SM	phytosphingomyelins	(t39:3)	(t39:3)	784.6094	21.3539	C44 H85 N2 O7 P1	M+HCOO	1	1	0	33.33	C
SM(t39:4)	SM(t39:4)	SM	phytosphingomyelins	(t39:4)	(t39:4)	782.5938	21.0565	C44 H83 N2 O7 P1	M+HCOO	1	1	0	16.67	C
ST(d36:1)	ST(d36:1)	ST	Sulfoglycosphingolipids (sulfatides)	(d36:1)	(d36:1)	807.553	17.6206	C42 H81 N1 O11 S1	M-H	1	1	0	16.67	C
ST(d40:2)	ST(d40:2)	ST	Sulfoglycosphingolipids (sulfatides)	(d40:2)	(d40:2)	861.6	19.7165	C46 H87 N1 O11 S1	M-H	1	1	0	33.33	C
ST(d42:2)	ST(d42:2)	ST	Sulfoglycosphingolipids (sulfatides)	(d42:2)	(d42:2)	889.6313	20.4912	C48 H91 N1 O11 S1	M-H	1	1	0	50	C
METABOLITES_END
#END