#METABOLOMICS WORKBENCH ewlim2024_20240615_201939 DATATRACK_ID:4929 STUDY_ID:ST003273 ANALYSIS_ID:AN005359 PROJECT_ID:PR002030
VERSION             	1
CREATED_ON             	June 18, 2024, 10:04 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic changes in mouse tissues following modulation of serine through the
PR:PROJECT_TITLE                 	diet
PR:PROJECT_SUMMARY               	We analyzed metabolites in the retina, choroid/RPE, and plasma from WT and PHGDH
PR:PROJECT_SUMMARY               	heterozygous mice that were fed either a control or serine/glycine-deprived
PR:PROJECT_SUMMARY               	diet. Additionally, we also analyzed metabolites from the retina, choroid/RPE,
PR:PROJECT_SUMMARY               	paw skin, and plasma from mice that were previously on either a control or
PR:PROJECT_SUMMARY               	serine/glycine-deprived diet and then switched back to a control or
PR:PROJECT_SUMMARY               	serine-supplemented diet.
PR:INSTITUTE                     	Salk Institute for Biological Studies
PR:DEPARTMENT                    	Molecular and Cell Biology Laboratory
PR:LABORATORY                    	Metallo Lab
PR:LAST_NAME                     	Lim
PR:FIRST_NAME                    	Esther
PR:ADDRESS                       	10010 N Torrey Pines Rd, La Jolla, California, 92037, USA
PR:EMAIL                         	ewlim2024@gmail.com
PR:PHONE                         	(858) 453-4100
PR:FUNDING_SOURCE                	R01CA234245
#STUDY
ST:STUDY_TITLE                   	Impact of serine supplementation following treatment with
ST:STUDY_TITLE                   	serine/glycine-depleted diet
ST:STUDY_SUMMARY                 	We analyzed metabolites in the retina, choroid/RPE, plasma, and paw skin from
ST:STUDY_SUMMARY                 	mice that were previously on control or serine/glycine-depleted diet and then
ST:STUDY_SUMMARY                 	switched over to a control or serine-supplemented diet.
ST:INSTITUTE                     	Salk Institute for Biological Studies
ST:DEPARTMENT                    	Molecular and Cell Biology Laboratory
ST:LABORATORY                    	Metallo Lab
ST:LAST_NAME                     	Lim
ST:FIRST_NAME                    	Esther
ST:ADDRESS                       	10010 N Torrey Pines Rd
ST:EMAIL                         	ewlim2024@gmail.com
ST:PHONE                         	(858) 453-4100
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	20
ST:NUM_MALES                     	20
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57BL/6J
SU:AGE_OR_AGE_RANGE              	12-16 months
SU:WEIGHT_OR_WEIGHT_RANGE        	25-45 g
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	The Scripps Research Institute Vivarium
SU:ANIMAL_HOUSING                	5/cage
SU:ANIMAL_LIGHT_CYCLE            	12h dark/12 h light
SU:ANIMAL_FEED                   	Special diets; see group labeling
SU:ANIMAL_WATER                  	Ad libitum
#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           	-	LMRI_DietRev_plasma_20B2	Treatment:Plasma  control | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20B2.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20B3	Treatment:Plasma  control | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20B3.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20B4	Treatment:Plasma  control | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20B4.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20C2	Treatment:Plasma  control | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20C2.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20C3	Treatment:Plasma  control | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20C3.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20D1	Treatment:Plasma  -SG diet | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20D1.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20D2	Treatment:Plasma  -SG diet | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20D2.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20D3	Treatment:Plasma  -SG diet | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20D3.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20D4	Treatment:Plasma  -SG diet | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20D4.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20D5	Treatment:Plasma  -SG diet | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20D5.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20H1	Treatment:Plasma  High serine rescue | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20H1.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20H2	Treatment:Plasma  High serine rescue | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20H2.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20H3	Treatment:Plasma  High serine rescue | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20H3.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20H4	Treatment:Plasma  High serine rescue | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20H4.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20H5	Treatment:Plasma  High serine rescue | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20H5.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20J1	Treatment:Plasma  Control rescue | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20J1.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20J2	Treatment:Plasma  Control rescue | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20J2.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20J3	Treatment:Plasma  Control rescue | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20J3.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20J4	Treatment:Plasma  Control rescue | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20J4.d
SUBJECT_SAMPLE_FACTORS           	-	LMRI_DietRev_plasma_20J5	Treatment:Plasma  Control rescue | Sample source:Mouse plasma	RAW_FILE_NAME(Raw file name)=LMRI_DietRev_plasma_20J5.d
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood samples collected into EDTA-coated microvette tubes. EDTA microvettes were
CO:COLLECTION_SUMMARY            	spun at 2,000g at 4 °C for 5 min to obtain plasma, and samples stored at
CO:COLLECTION_SUMMARY            	−80 °C until analysis.
CO:SAMPLE_TYPE                   	Blood (plasma)
#TREATMENT
TR:TREATMENT_SUMMARY             	Mice were fed control or serine/glycine-depleted (-SG) diet for 12 months. After
TR:TREATMENT_SUMMARY             	12 months, a subset of the mice that were on the -SG diet were switched back to
TR:TREATMENT_SUMMARY             	either the control or supplemented diet for 4 months.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For sphingolipid extraction from retina and choroid/RPE, frozen tissue was
SP:SAMPLEPREP_SUMMARY            	homogenized with a ball mill (Retsch Mixer Mill MM 400) at 30 Hz for 3 min in
SP:SAMPLEPREP_SUMMARY            	500 μl of −20°C methanol, 400 μl of ice-cold saline, and 100 μl of
SP:SAMPLEPREP_SUMMARY            	ice-cold MilliQ water, spiked with deuterated internal standards as described
SP:SAMPLEPREP_SUMMARY            	earlier. The mixture was then transferred into a 2-ml Eppendorf tube containing
SP:SAMPLEPREP_SUMMARY            	1 ml of chloroform. The tubes were vortexed for 5 min and centrifuged at 16,000g
SP:SAMPLEPREP_SUMMARY            	at 4°C for 5 min. The lower organic phase was collected, and 2 μl of formic
SP:SAMPLEPREP_SUMMARY            	acid was added to the remaining polar phase, which was re-extracted with 1 ml of
SP:SAMPLEPREP_SUMMARY            	chloroform. Combined organic phases were dried and resuspended in 50 μl of 0.2%
SP:SAMPLEPREP_SUMMARY            	formic acid and 1 mM ammonium formate in methanol. Last, the tubes were
SP:SAMPLEPREP_SUMMARY            	sonicated in a bath sonicator for 10 min and spun at 16,000g for 10 min at 4°C.
SP:SAMPLEPREP_SUMMARY            	For plasma, 50 μl of plasma was extracted with 500 μl of −20°C methanol,
SP:SAMPLEPREP_SUMMARY            	400 μl of saline, and 100 μl of water spiked with deuterated internal
SP:SAMPLEPREP_SUMMARY            	standards. Chloroform (1 ml) was then added to the tubes. The tubes were
SP:SAMPLEPREP_SUMMARY            	vortexed for 5 min and centrifuged at 16,000g at 4°C for 5 min. The lower
SP:SAMPLEPREP_SUMMARY            	organic phase was collected, and 2 μl of formic acid was added to the remaining
SP:SAMPLEPREP_SUMMARY            	polar phase, which was reextracted with 1 ml of chloroform. Combined organic
SP:SAMPLEPREP_SUMMARY            	phases were dried and resuspended in 100 μl of 0.2% formic acid and 1 mM
SP:SAMPLEPREP_SUMMARY            	ammonium formate in methanol. Next, the tubes were sonicated in a bath sonicator
SP:SAMPLEPREP_SUMMARY            	for 10 min and spun at 16,000g for 10 min at 4°C
SP:PROCESSING_STORAGE_CONDITIONS 	Room temperature
SP:EXTRACT_STORAGE               	4℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The gradient elution program consisted of the following profile: 0 min, 82% B; 3
CH:CHROMATOGRAPHY_SUMMARY        	min, 82% B; 4 min, 90% B, 18 min, 99% B; 25 min, 99%, 27 min, 82% B, 30 min, 82%
CH:CHROMATOGRAPHY_SUMMARY        	B.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 6460
CH:COLUMN_NAME                   	Spectra 3µm C8SR column (3 μm particle, 3.0 × 150 mm; Peeke Scientific)
CH:SOLVENT_A                     	100% water; 0.2% formic acid; 2 mM ammonium formate
CH:SOLVENT_B                     	100% methanol; 0.2% formic acid; 1 mM ammonium formate
CH:FLOW_GRADIENT                 	0 min, 82% B; 3 min, 82% B; 4 min, 90% B; 18 min, 99% B; 25 min, 99%; 27 min,
CH:FLOW_GRADIENT                 	82% B; and 30 min, 82% B
CH:FLOW_RATE                     	0.5 mL/min
CH:COLUMN_TEMPERATURE            	40
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6460 QQQ
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Software: Agilent MassHunter Sphingolipid species were analyzed by selective
MS:MS_COMMENTS                   	reaction monitoring of the transition from precursor to product ions at
MS:MS_COMMENTS                   	associated optimized collision energies, and fragmentor voltages are provided
MS:MS_COMMENTS                   	elsewhere (https://doi.org/10.1007/978-1-60761-322-0_22). The m/z values of the
MS:MS_COMMENTS                   	precursor and product ions are provided in the following format: Precursor ion
MS:MS_COMMENTS                   	-> Product ion.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Normalized ion count/L
MS_METABOLITE_DATA_START
Samples	LMRI_DietRev_plasma_20B2	LMRI_DietRev_plasma_20B3	LMRI_DietRev_plasma_20B4	LMRI_DietRev_plasma_20C2	LMRI_DietRev_plasma_20C3	LMRI_DietRev_plasma_20D1	LMRI_DietRev_plasma_20D2	LMRI_DietRev_plasma_20D3	LMRI_DietRev_plasma_20D4	LMRI_DietRev_plasma_20D5	LMRI_DietRev_plasma_20H1	LMRI_DietRev_plasma_20H2	LMRI_DietRev_plasma_20H3	LMRI_DietRev_plasma_20H4	LMRI_DietRev_plasma_20H5	LMRI_DietRev_plasma_20J1	LMRI_DietRev_plasma_20J2	LMRI_DietRev_plasma_20J3	LMRI_DietRev_plasma_20J4	LMRI_DietRev_plasma_20J5
Factors	Treatment:Plasma  control | Sample source:Mouse plasma	Treatment:Plasma  control | Sample source:Mouse plasma	Treatment:Plasma  control | Sample source:Mouse plasma	Treatment:Plasma  control | Sample source:Mouse plasma	Treatment:Plasma  control | Sample source:Mouse plasma	Treatment:Plasma  -SG diet | Sample source:Mouse plasma	Treatment:Plasma  -SG diet | Sample source:Mouse plasma	Treatment:Plasma  -SG diet | Sample source:Mouse plasma	Treatment:Plasma  -SG diet | Sample source:Mouse plasma	Treatment:Plasma  -SG diet | Sample source:Mouse plasma	Treatment:Plasma  High serine rescue | Sample source:Mouse plasma	Treatment:Plasma  High serine rescue | Sample source:Mouse plasma	Treatment:Plasma  High serine rescue | Sample source:Mouse plasma	Treatment:Plasma  High serine rescue | Sample source:Mouse plasma	Treatment:Plasma  High serine rescue | Sample source:Mouse plasma	Treatment:Plasma  Control rescue | Sample source:Mouse plasma	Treatment:Plasma  Control rescue | Sample source:Mouse plasma	Treatment:Plasma  Control rescue | Sample source:Mouse plasma	Treatment:Plasma  Control rescue | Sample source:Mouse plasma	Treatment:Plasma  Control rescue | Sample source:Mouse plasma
Cer d18:1/14:0	0.001540888	0.003277925	0.002735089	0.003494261	0.003018156	0.001241107	0.00124779	0.000804783	0.000656254	0.001497828	0.000974917	0.001586607	0.000834861	0.000572454	0.002266307	0.001652809	0.000453495	0.002596889	0.001828832	0.000905584
Cer d18:1/16:0	0.207970529	0.251007658	0.137984966	0.136540859	0.112199419	0.097065861	0.111473306	0.047708182	0.052910772	0.0567471	0.065242	0.111055882	0.055606243	0.101735089	0.088870868	0.109348651	0.027500393	0.096254647	0.114089603	0.093283231
Cer d18:1/16:1	0.000131152	9.675E-05	0.001597623	0.000211415	0.001166319	0.000455524	0.000291762	0.001081502	0.000387356	0.001318047	0.000137904	0.000218868	6.26302E-05	0.000344443	5.76239E-05	0.000394463	2.02824E-05	0.000424029	0.000198003	0.000193948
Cer d18:1/18:0	0.014423106	0.032108611	0.035541504	0.020171491	0.008877141	0.015351664	0.012102002	0.003331723	0.004624577	0.004092113	0.005883424	0.015370857	0.005989328	0.009990453	0.007921886	0.008282782	0.003255072	0.010100734	0.007257727	0.006054432
Cer d18:1/20:0	0.018232017	0.07983698	0.088509504	0.05682402	0.033133396	0.039098803	0.045929391	0.019695384	0.004426753	0.029397362	0.030389089	0.038695386	0.019477999	0.038584042	0.043029621	0.035615963	0.004292077	0.03260917	0.03419628	0.035995477
Cer d18:1/22:0	0.406595686	0.816508369	1.152331471	0.793351941	0.629769526	0.571711377	0.707528791	0.495312733	0.136218304	0.935587636	0.622267633	0.782749385	0.566082635	0.808920255	0.830618127	0.941094569	0.04681344	0.744509373	0.884041604	0.904377959
Cer d18:1/22:1	0.017038835	0.064213915	0.075149449	0.047589429	0.046737083	0.024406544	0.034917763	0.029701653	0.004037028	0.050200764	0.03884476	0.05518269	0.041791894	0.049002218	0.061367384	0.048443968	0.001958556	0.056162562	0.070772923	0.06933246
Cer d18:1/23:0	0.299132442	0.348984031	0.371906572	0.360419633	0.260219525	0.189225748	0.186445873	0.124055544	0.121267204	0.161080819	0.189338155	0.319721647	0.245471013	0.25162827	0.300087191	0.313047935	0.025874157	0.2416308	0.251593298	0.244724404
Cer d18:1/24:0	0.76814448	0.775191138	0.842270305	0.755229658	0.536932582	0.46172973	0.38028078	0.39052124	0.284786976	0.587166444	0.461214605	0.732148917	0.498043667	0.589594397	0.672779137	0.616757127	0.069076282	0.527907929	0.600130538	0.672209311
Cer d18:1/24:1	1.305202664	0.849764751	1.272587479	0.993855023	0.764726575	0.734929474	0.7640627	0.396961091	0.37235542	0.565541484	0.606680024	0.886516306	0.916518142	0.96086392	0.874039872	0.878112631	0.130467077	0.833638468	0.956079589	1.139252296
DHCer d18:0/14:0	0.00739651	0.00696642	0.007791851	0.006180136	0.008105969	0.007897464	0.009799012	0.009559731	0.007965903	0.010222132	0.008990595	0.006060884	0.007877095	0.009467623	0.008079208	0.007980413	0.010731949	0.006563587	0.007516848	0.008868528
DHCer d18:0/16:0	0.00414367	0.0092001	0.005637644	0.002239914	0.004705446	0.003627498	0.004590982	0.00218857	0.002569407	0.005713384	0.007290137	0.00904405	0.004956661	0.005028328	0.006586713	0.007990396	0.002273047	0.004881569	0.00646478	0.004594758
DHCer d18:0/18:0	0.002073576	0.001944248	0.001143994	0.001187605	0.000832371	0.000625893	0.002098713	0.000709315	0.000353218	0.000529763	6.87749E-05	0.000940289	0.000106988	0.000689599	0.000575618	0.000274533	0.000277063	0.000373255	0.000789434	0.000725448
DHCer d18:0/20:0	0.006463313	0.00968516	0.009539572	0.003053277	0.00185469	0.005217883	0.006086946	0.001673256	0.00177349	0.008115746	0.003994101	0.005404244	0.0029653	0.004649724	0.008454182	0.003927314	0.001062389	0.003958713	0.004410415	0.005399884
DHCer d18:0/22:0	0.035754537	0.079418313	0.074802116	0.030698923	0.033172084	0.035780105	0.048368982	0.021741936	0.01303071	0.079244557	0.057718454	0.089924572	0.049962123	0.05144106	0.054826782	0.08218508	0.0060935	0.039825946	0.045269543	0.04205399
DHCer d18:0/24:0	0.032507501	0.034155423	0.042575616	0.01921531	0.02156058	0.022705801	0.018333829	0.012819636	0.008115936	0.03310446	0.035226491	0.052238548	0.026234894	0.029801504	0.029900883	0.047341401	0.004448714	0.023083265	0.023878263	0.022762076
DHCer d18:0/24:1	0.028813599	0.027371802	0.033367922	0.015817066	0.016914589	0.025152547	0.036292163	0.013628549	0.008793442	0.041126922	0.02452512	0.043368708	0.02887992	0.026798874	0.029030055	0.031481403	0.00289691	0.025558449	0.022802459	0.029187908
doxDHCer d18:0/18:0	0.001923267	0.000222085	0.000408202	0.000190681	0.00020539	0.00081453	0.001207757	0.000861744	0.000942587	0.001127475	8.42492E-05	4.98808E-05	0.000303018	0.000107327	4.44048E-05	0.000268543	0.000295283	0.000314736	0.000207504	6.60188E-05
doxDHCer d18:0/20:0	0.007896768	0.002736378	0.002937166	0.002412397	0.001972828	0.007998491	0.009875014	0.003705067	0.0035638	0.00811114	0.000385139	0.000498808	0.000489385	0.000513819	9.29212E-05	0.003027845	0.000536535	0.003919173	0.004159267	0.002706772
doxDHCer d18:0/22:0	0.017848541	0.009657099	0.012018798	0.003914113	0.006528479	0.012847783	0.022261862	0.021182452	0.008691177	0.03445075	0.003645068	0.002406188	0.002502834	0.004531411	0.001951345	0.007331518	0.002108443	0.011086926	0.008340738	0.009480151
doxDHCer d18:0/24:1	0.024122082	0.00575337	0.00504678	0.005820136	0.003926353	0.011094808	0.017831914	0.014308418	0.012331675	0.01955288	0.001877554	0.001751782	0.002422075	0.002536136	0.00274323	0.005819093	0.002039334	0.005865316	0.006702147	0.00784334
doxSA-C18:0	0.003522979	0.001155633	0.001403984	0.001362086	0.001702837	0.002621957	0.002451863	0.001224477	0.002065637	0.00377602	0.001100611	0.000834415	0.001038952	0.000894547	0.000487738	0.001568885	0.000797028	0.000607305	0.001465902	0.000390212
Gluc/Gal-Cer d18:1/16:0	13.43573476	4.283801585	6.580794955	5.143210076	5.420990441	4.227347354	2.990175442	1.126034873	2.009924317	1.897817787	2.285466602	3.079094348	2.001984684	4.095790637	2.813470194	3.593661168	0.572509191	2.647237634	3.032328938	3.212648091
Gluc/Gal-Cer d18:1/18:0	0.016447873	0.024801824	0.050563606	0.034320754	0.012486555	0.025742185	0.010313878	0.001593415	0.007620591	0.002416055	0.000869181	0.011425102	0.002771905	0.011134762	0.011488155	0.014728396	0.012776987	0.010219996	0.008442001	0.009504325
Gluc/Gal-Cer d18:1/20:0	0.001049636	0.052353843	0.076566041	0.054250162	0.05130963	0.046774504	0.042161171	0.014262315	0.011933076	0.027581388	0.037548634	0.032754135	0.031289269	0.052357144	0.049903384	0.041426893	0.013170316	0.033579	0.037100169	0.027303009
Lact-Cer d18:1/16:0	0.098642293	0.234925346	0.207196538	0.183383572	0.090045093	0.072191753	0.184964904	0.096908843	0.057583024	0.142403909	0.058199027	0.121407	0.06713382	0.12688247	0.132960191	0.09282409	0.008846525	0.094799293	0.10904064	0.11471946
Lact-Cer d18:1/24:0	0.003009484	0.004017349	0.028808927	0.011623964	0.006996542	0.003351615	0.010519924	0.014149316	0.007263418	0.002962603	0.009547629	0.008053403	0.01403251	0.013220887	0.011014454	0.019200221	0.010568011	0.022919898	0.009303108	0
Lact-Cer d18:1/24:1	0.02006896	0.016274101	0.023616488	0.032780708	0.009888177	0.010704855	0.058207862	0.028298631	0.026447479	0.042206034	0.031444909	0.004515379	0.024677862	0.028930598	0.019084227	0.011997672	0.021502634	0.020341184	0.011526139	0.031427557
SA-C18:0	0.017205894	0.01099049	0.008108457	0.002765436	0.004081672	0.008701419	0.003898604	0.00329922	0.004061897	0.003724677	0.00924811	0.020774422	0.004832158	0.004557476	0.005384171	0.005472628	0.000836287	0.002111924	0.003874391	0.006547013
SM 32:1	0.235728489	1.558917466	1.205336571	1.565910384	0.86053662	0.943419859	1.140284655	0.521179385	0.331260354	1.12952781	0.915337686	1.906525296	0.755640934	0.937345022	1.515858809	1.294184274	0.073538458	1.224729898	0.622440475	1.342475592
SM 32:2	0.008858341	0.170708574	0.13319987	0.140848474	0.088078862	0.070494851	0.089624771	0.05845909	0.02603748	0.12493501	0.101226877	0.18962652	0.073027725	0.080565741	0.150604234	0.118419144	0.004651101	0.125082848	0.060250267	0.111457028
SM 34:1	19.86182621	50.69670862	47.87847425	47.16615531	36.63099614	41.14126713	42.13426302	26.42539583	22.99406345	45.85728482	37.58033417	51.83715495	30.78576328	36.88582915	43.94979127	44.19147504	6.463802864	37.95797624	30.49990516	43.30089619
SM 34:2	1.166526339	11.87584864	10.87938994	12.65550685	7.014600917	7.865517356	11.08252683	7.170463654	3.097547234	14.37406535	8.206100099	13.76251332	5.932030528	8.683160731	11.75919128	10.08212051	0.307591879	10.00839374	5.565113053	11.12921419
SM 36:1	0.605425361	2.879471343	3.259999408	2.673022548	1.477439247	3.354048744	2.637253221	1.458589608	1.240429741	2.591799711	1.87836206	2.439280705	1.598519129	1.819864634	1.890749094	1.768374172	0.434285022	1.654746479	1.055352993	1.684839474
SM 36:2	0.266405913	1.768842825	1.648109693	1.626580255	0.945111669	1.391149118	1.446567991	0.912106995	0.647498654	1.450657153	1.138071888	1.550526578	0.865884864	1.090439043	1.279253811	1.20526223	0.129508283	1.150894759	0.67267777	1.203918144
SM 38:1	0.27166764	2.165177361	2.255500341	2.798923828	1.340807705	3.548656975	2.664233418	1.257800531	0.561838491	3.412000167	1.514780999	2.929499078	1.297427572	2.115459287	2.71293829	1.672860392	0.100589597	2.144282966	1.026829628	1.988740131
SM 38:2	1.64300778	0.617915647	0.213844286	0.679602044	0.152887603	0.62681413	0.67901627	0.271630579	0.182778916	0.217374168	0.526619222	0.866028488	0.322545733	0.438746632	0.754169512	0.51666291	1.000953351	0.222258789	0.332284647	0.486888148
SM 40:1	0.944263665	3.749512821	3.183662155	3.802570675	2.218398072	13.86809803	1.18741076	1.462933637	0.868936762	3.195040505	3.722028819	4.529851534	3.472540946	1.523712522	4.783134609	2.696060358	0.225715922	2.214608097	3.001983051	3.840556934
SM 40:2	0.391404425	3.167299081	3.492994936	4.733535274	3.031762952	3.826070259	3.209495528	2.976967269	0.518447118	6.143557056	3.670794958	5.702775915	3.616437785	3.192628303	5.715576937	4.053633322	0.105181473	4.155279688	5.009648933	7.851868271
SO-C18:1	0.04643644	0.028454258	0.01293459	0.005107174	0.009618411	0.019131348	0.009193186	0.004417026	0.006076941	0.003683306	0.021522605	0.039877574	0.010559322	0.007002298	0.003093403	0.010105797	0.003179879	0.004418847	0.009857826	0.008057429
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Precursor ion m/z	Product ion m/z
Cer d18:1/14:0	492.4	264.2
Cer d18:1/16:0	520.5	264.2
Cer d18:1/16:1	518.5	264.2
Cer d18:1/18:0	548.5	264.2
Cer d18:1/20:0	576.5	264.2
Cer d18:1/22:0	604.5	264.2
Cer d18:1/22:1	602.6	264.2
Cer d18:1/23:0	618.6	264.2
Cer d18:1/24:0	632.6	264.2
Cer d18:1/24:1	630.6	264.2
DHCer d18:0/14:0	512.5	494.5
DHCer d18:0/16:0	540.5	522.5
DHCer d18:0/18:0	568.5	550.5
DHCer d18:0/20:0	596.5	578.5
DHCer d18:0/22:0	624.6	606.6
DHCer d18:0/24:0	652.6	634.6
DHCer d18:0/24:1	650.6	632.6
doxDHCer d18:0/18:0	552.5	268.3
doxDHCer d18:0/20:0	580.5	268.3
doxDHCer d18:0/22:0	608.6	268.3
doxDHCer d18:0/24:1	634.6	268.3
doxSA-C18:0	286.4	268.4
Gluc/Gal-Cer d18:1/16:0	682.6	264.2
Gluc/Gal-Cer d18:1/18:0	710.6	264.2
Gluc/Gal-Cer d18:1/20:0	738.6	264.2
Lact-Cer d18:1/16:0	844.7	264.2
Lact-Cer d18:1/24:0	956.7	264.2
Lact-Cer d18:1/24:1	954.7	264.2
SA-C18:0	302.4	284.4
SM 32:1	675.5	184.1
SM 32:2	673.5	184.1
SM 34:1	703.6	184.1
SM 34:2	701.6	184.1
SM 36:1	731.6	184.1
SM 36:2	729.6	184.1
SM 38:1	759.6	184.1
SM 38:2	757.6	184.1
SM 40:1	787.7	184.1
SM 40:2	785.7	184.1
SO-C18:1	300.4	282.4
METABOLITES_END
#END