#METABOLOMICS WORKBENCH Jung_DNLI_20250829_100442 DATATRACK_ID:6348 STUDY_ID:ST004162 ANALYSIS_ID:AN006907 PROJECT_ID:PR002623
VERSION             	1
CREATED_ON             	September 2, 2025, 6:27 pm
#PROJECT
PR:PROJECT_TITLE                 	A Common PD-Risk GBA1 Variant Disrupts LIMP2 Interaction, Impairs
PR:PROJECT_TITLE                 	Glucocerebrosidase Function, and Drives Lysosomal and Mitochondrial Dysfunction
PR:PROJECT_TYPE                  	Preclinical Mouse and cellular studies
PR:PROJECT_SUMMARY               	Variants in GBA1 cause Gaucher disease (GD) and are the most common genetic risk
PR:PROJECT_SUMMARY               	factor for Parkinson’s disease (PD). While some GBA1 variants are associated
PR:PROJECT_SUMMARY               	with both GD and PD, several coding mutations, including E326K, specifically
PR:PROJECT_SUMMARY               	confer risk for PD. The impact of these PD-specific variants on GCase activity
PR:PROJECT_SUMMARY               	and lysosomal and mitochondrial function relevant to PD remains poorly
PR:PROJECT_SUMMARY               	understood. We show the E326K variant reduces lysosomal GCase activity by
PR:PROJECT_SUMMARY               	impairing its delivery to lysosomes via altered interactions with its receptor,
PR:PROJECT_SUMMARY               	LIMP2. Structural analyses reveal that loss of a key salt bridge between E326
PR:PROJECT_SUMMARY               	and R329 underlies disrupted GCase/LIMP2 interaction in cells, as reintroduction
PR:PROJECT_SUMMARY               	of a negative charge at R329 rescues LIMP2 binding. Functionally, the E326K
PR:PROJECT_SUMMARY               	variant produces greater deficits in PD-relevant pathways than GD-linked severe
PR:PROJECT_SUMMARY               	GCase LoF with effects reproduced in CNS cells and human E326K carriers,
PR:PROJECT_SUMMARY               	providing key insights into the nature of GCase dysfunction associated with
PR:PROJECT_SUMMARY               	GBA1-PD.
PR:INSTITUTE                     	Denali Therapeutics
PR:LAST_NAME                     	Suh
PR:FIRST_NAME                    	Jung
PR:ADDRESS                       	161 Oyster Point Blvd, South San Francisco, California, 94080, USA
PR:EMAIL                         	suh@dnli.com
PR:PHONE                         	+1 06507973837
#STUDY
ST:STUDY_TITLE                   	Targeted Lipid Profiling of Mouse Brains with GBA1 E326K Loss-of-Function
ST:STUDY_SUMMARY                 	Glucocerebrosidase(GCase), encoded by the GBA1 gene, is a lysosomal enzyme that
ST:STUDY_SUMMARY                 	degrades glucosylceramide and glucosylsphingosine, and its dysfunction is linked
ST:STUDY_SUMMARY                 	to Gaucher disease and Parkinson’s disease. This study applied targeted lipid
ST:STUDY_SUMMARY                 	profiling of GCase substrates,glucosylsphingosine and glucosylceramides, in
ST:STUDY_SUMMARY                 	mouse brain tissues carrying the common PD risk variant GBA1 E326K.
ST:INSTITUTE                     	Denali Therapeutics
ST:LAST_NAME                     	Suh
ST:FIRST_NAME                    	Jung
ST:ADDRESS                       	161 Oyster Point Blvd, South San Francisco, California, 94080, USA
ST:EMAIL                         	suh@dnli.com
ST:PHONE                         	+1 06507973837
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#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           	pool_001	HSA-000015204	genotype:NA | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_003
SUBJECT_SAMPLE_FACTORS           	TS13A	HSA-000015178	genotype:GBA E326K HOM | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_004
SUBJECT_SAMPLE_FACTORS           	TS01A	HSA-000015174	genotype:GBA E326K HOM | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_005
SUBJECT_SAMPLE_FACTORS           	TS24A	HSA-000015201	genotype:WT | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_006
SUBJECT_SAMPLE_FACTORS           	TS27A	HSA-000015192	genotype:GBA E326K HET | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_007
SUBJECT_SAMPLE_FACTORS           	TS22A	HSA-000015191	genotype:GBA E326K HET | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_008
SUBJECT_SAMPLE_FACTORS           	TS28A	HSA-000015193	genotype:GBA E326K HET | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_009
SUBJECT_SAMPLE_FACTORS           	TS16A	HSA-000015189	genotype:GBA E326K HET | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_010
SUBJECT_SAMPLE_FACTORS           	TS14A	HSA-000015179	genotype:GBA E326K HOM | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_011
SUBJECT_SAMPLE_FACTORS           	TS29A	HSA-000015202	genotype:WT | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_012
SUBJECT_SAMPLE_FACTORS           	TS30A	HSA-000015203	genotype:WT | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_013
SUBJECT_SAMPLE_FACTORS           	TS04A	HSA-000015185	genotype:GBA E326K HET | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_014
SUBJECT_SAMPLE_FACTORS           	TS11A	HSA-000015196	genotype:WT | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_015
SUBJECT_SAMPLE_FACTORS           	TS12A	HSA-000015197	genotype:WT | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_016
SUBJECT_SAMPLE_FACTORS           	TS15A	HSA-000015188	genotype:GBA E326K HET | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_017
SUBJECT_SAMPLE_FACTORS           	pool_002	HSA-000015287	genotype:NA | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_018
SUBJECT_SAMPLE_FACTORS           	TS17A	HSA-000015198	genotype:WT | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_019
SUBJECT_SAMPLE_FACTORS           	TS03A	HSA-000015184	genotype:GBA E326K HET | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_020
SUBJECT_SAMPLE_FACTORS           	TS21A	HSA-000015190	genotype:GBA E326K HET | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_021
SUBJECT_SAMPLE_FACTORS           	TS18A	HSA-000015199	genotype:WT | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_022
SUBJECT_SAMPLE_FACTORS           	TS07A	HSA-000015176	genotype:GBA E326K HOM | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_023
SUBJECT_SAMPLE_FACTORS           	TS25A	HSA-000015182	genotype:GBA E326K HOM | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_024
SUBJECT_SAMPLE_FACTORS           	TS02A	HSA-000015175	genotype:GBA E326K HOM | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_025
SUBJECT_SAMPLE_FACTORS           	TS23A	HSA-000015200	genotype:WT | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_026
SUBJECT_SAMPLE_FACTORS           	TS26A	HSA-000015183	genotype:GBA E326K HOM | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_027
SUBJECT_SAMPLE_FACTORS           	TS06A	HSA-000015195	genotype:WT | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_028
SUBJECT_SAMPLE_FACTORS           	TS08A	HSA-000015177	genotype:GBA E326K HOM | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_029
SUBJECT_SAMPLE_FACTORS           	TS20A	HSA-000015181	genotype:GBA E326K HOM | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_030
SUBJECT_SAMPLE_FACTORS           	TS19A	HSA-000015180	genotype:GBA E326K HOM | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_031
SUBJECT_SAMPLE_FACTORS           	TS05A	HSA-000015194	genotype:WT | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_032
SUBJECT_SAMPLE_FACTORS           	TS09A	HSA-000015186	genotype:GBA E326K HET | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_033
SUBJECT_SAMPLE_FACTORS           	pool_003	HSA-000015288	genotype:NA | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_034
SUBJECT_SAMPLE_FACTORS           	TS10A	HSA-000015187	genotype:GBA E326K HET | Sample source:brain	RAW_FILE_NAME(Raw Source Name.HALO)=20211006_HN_HEX-000262_HALO_Pos_035
#COLLECTION
CO:COLLECTION_SUMMARY            	All animal procedures were performed in accordance with a protocol approved by
CO:COLLECTION_SUMMARY            	the Institutional Animal Care and Use Committee of the National Institute on
CO:COLLECTION_SUMMARY            	Aging, NIH. Wildtype, homozygous and heterozygous E326K GBA1 knock-in (KI) male
CO:COLLECTION_SUMMARY            	and female mice raised on a C57Bl/6 background were bred in-house on a 12-hr
CO:COLLECTION_SUMMARY            	day/night cycle for the following experiments. All mice were supplied with
CO:COLLECTION_SUMMARY            	Rodent NIH-07 diet and water ad libitum. The brain was then removed and one
CO:COLLECTION_SUMMARY            	hemisphere retained without sub-dissection. Tissue samples were individually
CO:COLLECTION_SUMMARY            	weighed, flash frozen on dry ice and stored at -80°C for subsequent analysis.
CO:SAMPLE_TYPE                   	Brain
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	Lobind 1.5 mL Eppendorf tubes
CO:STORAGE_VIALS                 	Lobind 1.5 mL Eppendorf tubes
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	20 (± 3) mg of brain tissues were weighed and flash frozen during tissue
SP:SAMPLEPREP_SUMMARY            	collection. Lipids were extracted from the frozen samples using 400 mL of
SP:SAMPLEPREP_SUMMARY            	HPLC-grade methanol (Fisher Chemical; # A452-4) containing stable-isotope
SP:SAMPLEPREP_SUMMARY            	internal standards and homogenized with a 3 mm tungsten carbide bead for 30 s at
SP:SAMPLEPREP_SUMMARY            	25 Hz on TissueLyzer II (QIAGEN, #85300). The methanol fraction was isolated via
SP:SAMPLEPREP_SUMMARY            	centrifugation (20 min at 4°C, 21,000 x g, transferred to a 96-well sample
SP:SAMPLEPREP_SUMMARY            	collection plate (Waters; #186005837) and incubated for 1 h, at -20°C for
SP:SAMPLEPREP_SUMMARY            	protein precipitation, followed by an additional 20 min centrifugation (4,000 x
SP:SAMPLEPREP_SUMMARY            	g at 4°C). The supernatant was transferred to glass vial plates (Analytical
SP:SAMPLEPREP_SUMMARY            	systems, #27350) for LCMS analysis.
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:EXTRACT_STORAGE               	-20℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity II
CH:COLUMN_NAME                   	Advanced Material Technology HALO HILIC (150 x 3.0mm, 2um)
CH:SOLVENT_A                     	92.5% acetonitrile/5% isopropanol/2.5% water; 5 mM ammonium formate; 0.5% formic
CH:SOLVENT_A                     	acid
CH:SOLVENT_B                     	92.5% water/5% isopropanol/2.5% acetonitrile; 5 mM ammonium formate; 0.5% formic
CH:SOLVENT_B                     	acid
CH:FLOW_GRADIENT                 	0.0–2.0 min, 100% B; 2.1 min, 95% B; 4.5 min, 85% B; held at 85% B until 6.0
CH:FLOW_GRADIENT                 	min; 6.1 min, 0% B; held at 0% B until 8.5 min
CH:FLOW_RATE                     	0.45 mL/min
CH:COLUMN_TEMPERATURE            	45
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 6500+ QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	curtain gas at 30 psi; collision gas set at medium; ion spray voltage at 4,500
MS:MS_COMMENTS                   	V; temperature at 600°C; ion source Gas 1 at 55 psi; ion source Gas 2 at 60
MS:MS_COMMENTS                   	psi.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	normalized peak area
MS_METABOLITE_DATA_START
Samples	HSA-000015174	HSA-000015175	HSA-000015176	HSA-000015177	HSA-000015178	HSA-000015179	HSA-000015180	HSA-000015181	HSA-000015182	HSA-000015183	HSA-000015184	HSA-000015185	HSA-000015186	HSA-000015187	HSA-000015188	HSA-000015189	HSA-000015190	HSA-000015191	HSA-000015192	HSA-000015193	HSA-000015194	HSA-000015195	HSA-000015196	HSA-000015197	HSA-000015198	HSA-000015199	HSA-000015200	HSA-000015201	HSA-000015202	HSA-000015203	HSA-000015204	HSA-000015287	HSA-000015288
Factors	genotype:GBA E326K HOM | Sample source:brain	genotype:GBA E326K HOM | Sample source:brain	genotype:GBA E326K HOM | Sample source:brain	genotype:GBA E326K HOM | Sample source:brain	genotype:GBA E326K HOM | Sample source:brain	genotype:GBA E326K HOM | Sample source:brain	genotype:GBA E326K HOM | Sample source:brain	genotype:GBA E326K HOM | Sample source:brain	genotype:GBA E326K HOM | Sample source:brain	genotype:GBA E326K HOM | Sample source:brain	genotype:GBA E326K HET | Sample source:brain	genotype:GBA E326K HET | Sample source:brain	genotype:GBA E326K HET | Sample source:brain	genotype:GBA E326K HET | Sample source:brain	genotype:GBA E326K HET | Sample source:brain	genotype:GBA E326K HET | Sample source:brain	genotype:GBA E326K HET | Sample source:brain	genotype:GBA E326K HET | Sample source:brain	genotype:GBA E326K HET | Sample source:brain	genotype:GBA E326K HET | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:WT | Sample source:brain	genotype:NA | Sample source:brain	genotype:NA | Sample source:brain	genotype:NA | Sample source:brain
Cholesteryl galactoside	0.147	0.185	0.257	0.187	0.277	0.188	0.136	0.218	0.104	0.155	0.18	0.209	0.449	0.152	0.296	0.249	0.128	0.146	0.528	0.12	0.318	0.544	0.333	0.304	0.232	0.134	0.132	0.416	0.345	0.488	0.295	0.234	0.302
Cholesteryl glucoside	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
GalCer(d18:1/15:0)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
GalCer(d18:1/16:0)	1.139	1.127	0.997	0.975	1.169	0.998	0.826	1.085	0.854	0.888	0.995	1	1.703	1.04	1.094	0.917	0.815	0.732	1.477	0.992	1.215	1.358	1.205	1.239	1.2	0.94	0.888	1.38	0.995	1.317	0.983	0.989	1.152
GalCer(d18:1/18:0)	7.666	6.231	4.893	5.659	4.777	6.337	4.781	4.957	4.989	6.034	6.264	6.346	7.098	6.664	5.549	5.829	5.567	4.733	6.817	5.826	5.948	5.891	5.854	7.264	6.716	5.549	5.839	7.135	5.641	7.398	6.921	6.168	6.285
GalCer(d18:1/20:0)	0.599	0.412	0.3	0.416	0.405	0.435	0.378	0.367	0.415	0.5	0.479	0.509	0.541	0.497	0.411	0.456	0.422	0.395	0.452	0.447	0.511	0.522	0.428	0.429	0.466	0.353	0.502	0.468	0.432	0.467	0.421	0.44	0.432
GalCer(d18:1/22:0)	2.756	1.907	1.55	1.968	1.783	2.018	1.798	1.66	1.94	1.922	2.06	2.127	2.128	2.145	1.853	1.611	1.825	1.466	2.194	1.816	1.918	2.274	1.98	2.125	2.267	1.501	1.925	2.15	2.013	2.068	1.516	1.941	2.174
GalCer(d18:1/22:1)	18.439	14.715	14.164	14.445	16.26	14.398	11.763	13.076	11.753	12.312	14.917	15.778	17.323	15.273	13.942	11.967	10.599	10.041	20.308	12.555	16.621	18.898	15.951	15.901	17.169	10.149	12.346	17.753	14.638	17.42	11.647	13.485	15.337
GalCer(d18:1/24:0)	16.039	12.498	9.378	12.114	11.701	14.619	10.251	12.047	10.52	12.898	12.716	14.543	12.646	13.489	11.804	11.158	11.708	9.134	14.717	10.263	12.963	12.324	13.475	13.354	14.527	10.985	10.761	13.603	13.07	13.955	8.6	10.978	11.907
GalCer(d18:1/24:1)	161.346	146.856	109.69	141.821	149.172	143.908	107.143	126.535	115.93	132.998	139.469	150.811	154.345	155.373	153.584	119.307	137.93	105.794	177.407	117.858	158.718	151.993	163.361	147.404	159.139	124.914	118.492	163.858	145.305	163.596	96.098	106.459	133.633
GalCer(d18:2/18:0)	6.502	7.092	4.698	7.229	9.629	7.561	5.444	8.304	4.545	7.596	7.552	7.824	14.835	8.17	9.797	9.356	6.325	6.213	15.924	6.385	13.066	15.453	11.443	13.847	10.332	7.38	7.061	12.761	10.388	12.579	15.049	10.46	10.813
GalCer(d18:2/20:0)	1.802	1.885	1.005	1.792	2.617	2.028	1.605	2.221	1.263	2.08	1.781	2.146	3.499	2.106	2.521	2.38	1.859	1.798	3.599	1.658	3.037	3.803	2.341	2.363	2.483	2.174	2.309	2.986	2.209	2.28	2.421	2.58	2.577
GalCer(d18:2/22:0)	6.123	7.627	3.891	7.185	8.478	6.999	6.227	8.189	5.264	6.632	7.106	7.292	10.275	6.768	8.695	6.613	6.729	5.679	13.204	5.934	10.235	12.253	8.998	9.12	9.108	7.498	6.485	10.05	7.88	8.111	6.055	7.574	8.961
Galactosylsphingosine	0.352	0.267	0.297	0.284	0.3	0.28	0.236	0.325	0.254	0.223	0.293	0.262	0.66	0.313	0.312	0.313	0.188	0.156	0.424	0.195	0.305	0.439	0.354	0.293	0.361	0.253	0.254	0.326	0.268	0.505	0.204	0.318	0.315
GlcCer(d18:1(d5)/18:0)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
GlcCer(d18:1/16:0)	0.147	0.244	0.357	0.205	0.382	0.352	0.271	0.35	0.147	0.189	0.206	0.198	0.522	0.208	0.428	0.299	0.243	0.3	0.542	0.184	0.398	0.628	0.46	0.509	0.417	0.25	0.168	0.333	0.421	0.458	0.261	0.325	0.349
GlcCer(d18:1/18:0)	2.56	2.939	3.648	2.978	3.971	3.336	2.733	3.493	2.035	3.04	3.268	3.39	5.314	3.01	4.308	3.334	2.958	3.177	5.174	2.648	4.426	5.844	4.362	4.88	4.272	3.361	2.268	4.171	4.582	4.579	3.036	3.321	3.702
GlcCer(d18:1/20:0)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
GlcCer(d18:1/22:0)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
GlcCer(d18:1/22:1)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
GlcCer(d18:1/24:0)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
GlcCer(d18:1/24:1)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
GlcCer(d18:2/18:0)	1.261	1.934	1.515	1.697	3.459	2.045	1.774	3.215	1.214	1.905	2.362	1.78	4.415	1.701	4.09	2.574	2.01	2.275	5.99	1.431	4.263	8.074	5.034	4.286	2.957	2.013	1.286	3.527	4.41	4.707	3.341	2.904	3.403
GlcCer(d18:2/20:0)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
GlcCer(d18:2/22:0)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Glucosylsphingosine	0.074	0.092	0.104	0.1	0.106	0.083	0.076	0.103	0.054	0.071	0.07	0.059	0.169	0.063	0.078	0.057	0.035	0.029	0.099	0.048	0.074	0.089	0.044	0.048	0.07	0.06	0.026	0.05	0.059	0.081	0.059	0.083	0.082
Glucosylsphingosine(d5)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Sitosteryl galactoside	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Sitosteryl glucoside	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
alpha-GalCer(d18:1/16:0)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
alpha-GalCer(d18:1/18:0)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
alpha-GalCer(d18:1/20:0)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
alpha-GalCer(d18:1/22:0)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
alpha-GalCer(d18:1/22:1)	6.534	5.268	4.069	5.384	3.578	4.154	4.329	3.358	4.661	5.601	4.712	5.02	4.042	5.082	4.328	3.674	3.938	3.482	3.932	4.732	3.776	3.438	3.543	3.734	4.318	3.3	4.99	4.409	3.81	4.199	2.601	4.055	4.499
alpha-GalCer(d18:1/24:0)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
alpha-GalCer(d18:1/24:1)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
alpha-GalCer(d18:2/20:0)	0.506	0.515	0.292	0.461	0.498	0.398	0.391	0.404	0.34	0.466	0.397	0.491	0.531	0.52	0.529	0.4	0.353	0.356	0.531	0.441	0.506	0.582	0.409	0.469	0.495	0.401	0.477	0.541	0.402	0.378	0.303	0.417	0.46
alpha-GalCer(d18:2/22:0)	2.768	3.3	1.699	2.842	2.682	2.49	2.527	2.718	2.25	3.122	2.559	2.846	2.53	3.127	2.739	2.255	2.302	2.275	3.008	2.529	2.804	2.858	2.51	2.901	2.877	2.375	2.734	3.47	2.373	2.477	1.704	2.488	2.765
alpha-GalCer(d18:2/:18:0)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Expected RT	MS1_mz	MS2_mz
alpha-GalCer(d18:1/16:0)	2.31	700.6	264.3
alpha-GalCer(d18:1/18:0)	2.28	728.6	264.3
alpha-GalCer(d18:1/20:0)	2.26	756.6	264.3
alpha-GalCer(d18:1/22:0)	2.17	784.7	264.3
alpha-GalCer(d18:1/22:1)	2.18	782.7	264.3
alpha-GalCer(d18:1/24:0)	2.16	812.7	264.3
alpha-GalCer(d18:1/24:1)	2.17	810.7	264.3
alpha-GalCer(d18:2/:18:0)	2.28	726.6	262.3
alpha-GalCer(d18:2/20:0)	2.23	754.6	262.3
alpha-GalCer(d18:2/22:0)	2.17	782.7	262.3
Cholesteryl galactoside	1.83	566.6	369.3
Cholesteryl glucoside	1.76	566.6	369.3
Galactosylsphingosine	6.4	462.2	282.3
GalCer(d18:1/15:0)	2.05	686.3	264.3
GalCer(d18:1/16:0)	2.14	700.6	264.3
GalCer(d18:1/18:0)	2.1	728.6	264.3
GalCer(d18:1/20:0)	2.05	756.6	264.3
GalCer(d18:1/22:0)	2.02	784.7	264.3
GalCer(d18:1/22:1)	2.02	782.7	264.3
GalCer(d18:1/24:0)	1.98	812.7	264.3
GalCer(d18:1/24:1)	1.98	810.7	264.3
GalCer(d18:2/18:0)	2.1	726.6	262.3
GalCer(d18:2/20:0)	2.05	754.6	262.3
GalCer(d18:2/22:0)	2	782.7	262.3
GlcCer(d18:1(d5)/18:0)	1.92	733.6	269.3
GlcCer(d18:1/16:0)	2	700.6	264.3
GlcCer(d18:1/18:0)	1.93	728.6	264.3
GlcCer(d18:1/20:0)	1.89	756.6	264.3
GlcCer(d18:1/22:0)	1.86	784.7	264.3
GlcCer(d18:1/22:1)	1.87	782.7	264.3
GlcCer(d18:1/24:0)	1.84	812.7	264.3
GlcCer(d18:1/24:1)	1.84	810.7	264.3
GlcCer(d18:2/18:0)	1.93	726.6	262.3
GlcCer(d18:2/20:0)	1.89	754.6	262.3
GlcCer(d18:2/22:0)	1.87	782.7	262.3
Glucosylsphingosine	6.2	462.2	282.3
Glucosylsphingosine(d5)	6.2	467.2	287.3
Sitosteryl galactoside	1.76	594.6	397.4
Sitosteryl glucoside	1.76	594.6	397.4
METABOLITES_END
#END