#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