#METABOLOMICS WORKBENCH ewlim2024_20240615_155826 DATATRACK_ID:4924 STUDY_ID:ST003269 ANALYSIS_ID:AN005355 PROJECT_ID:PR002030 VERSION 1 CREATED_ON June 18, 2024, 9:50 am #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 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, CA, 92037, USA PR:EMAIL ewlim2024@gmail.com PR:PHONE (858) 453-4100 PR:FUNDING_SOURCE R01CA234245 #STUDY ST:STUDY_TITLE WT and PHGDH(+/-) mice fed control or -SG diet ST:STUDY_SUMMARY We analyzed metabolites in the retina, choroid/RPE, and plasma from WT and PHGDH ST:STUDY_SUMMARY heterozygous mice that were fed either a control or serine/glycine-deprived ST:STUDY_SUMMARY diet. ST:INSTITUTE Salk Institute for Biological Studies ST:LAST_NAME Lim ST:FIRST_NAME Esther ST:ADDRESS 10010 N Torrey Pines Rd, La Jolla, CA, 92037, USA 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 weeks SU:WEIGHT_OR_WEIGHT_RANGE 20-30g SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER Phgdh floxed/floxed from the Shigeki Furuya Lab; E2a-Cre mice from JAX 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 #FACTORS #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 - R_L7A Genotype:Wild-type | Treatment:Control diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L7A.d SUBJECT_SAMPLE_FACTORS - R_L7B Genotype:Wild-type | Treatment:Control diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L7B.d SUBJECT_SAMPLE_FACTORS - R_L7C Genotype:Wild-type | Treatment:Control diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L7C.d SUBJECT_SAMPLE_FACTORS - R_L7D Genotype:Wild-type | Treatment:Control diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L7D.d SUBJECT_SAMPLE_FACTORS - R_L7E Genotype:Wild-type | Treatment:Control diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L7E.d SUBJECT_SAMPLE_FACTORS - R_L8A Genotype:Wild-type | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L8A.d SUBJECT_SAMPLE_FACTORS - R_L8B Genotype:Wild-type | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L8B.d SUBJECT_SAMPLE_FACTORS - R_L8C Genotype:Wild-type | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L8C.d SUBJECT_SAMPLE_FACTORS - R_L8D Genotype:Wild-type | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L8D.d SUBJECT_SAMPLE_FACTORS - R_L8E Genotype:Wild-type | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L8E.d SUBJECT_SAMPLE_FACTORS - R_L3A Genotype:PHGDH+/- | Treatment:Control diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L3A.d SUBJECT_SAMPLE_FACTORS - R_L3B Genotype:PHGDH+/- | Treatment:Control diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L3B.d SUBJECT_SAMPLE_FACTORS - R_L3C Genotype:PHGDH+/- | Treatment:Control diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L3C.d SUBJECT_SAMPLE_FACTORS - R_L3D Genotype:PHGDH+/- | Treatment:Control diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L3D.d SUBJECT_SAMPLE_FACTORS - R_L3E Genotype:PHGDH+/- | Treatment:Control diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L3E.d SUBJECT_SAMPLE_FACTORS - R_L4A Genotype:PHGDH+/- | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L4A.d SUBJECT_SAMPLE_FACTORS - R_L4B Genotype:PHGDH+/- | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L4B.d SUBJECT_SAMPLE_FACTORS - R_L4C Genotype:PHGDH+/- | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L4C.d SUBJECT_SAMPLE_FACTORS - R_L4D Genotype:PHGDH+/- | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L4D.d SUBJECT_SAMPLE_FACTORS - R_L4E Genotype:PHGDH+/- | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina RAW_FILE_NAME(Raw file name)=R_L4E.d #COLLECTION CO:COLLECTION_SUMMARY Tissues were collected using Wollenberger clamps pre-cooled to the temperature CO:COLLECTION_SUMMARY of liquid nitrogen and stored at -80 C until analysis CO:SAMPLE_TYPE Retina CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY In this cohort, there were wildtype (WT) and PHGDH heterozygous (PHGDH +/-) mice TR:TREATMENT_SUMMARY that were put on either a control amino acid or serine/glycine-depleted diet. #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 Peeke Scientific Spectra 3um C8SR (150 x 3mm) 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/mg of protein MS_METABOLITE_DATA_START Samples R_L7A R_L7B R_L7C R_L7D R_L7E R_L8A R_L8B R_L8C R_L8D R_L8E R_L3A R_L3B R_L3C R_L3D R_L3E R_L4A R_L4B R_L4C R_L4D R_L4E Factors Genotype:Wild-type | Treatment:Control diet | Sample source:Mouse retina Genotype:Wild-type | Treatment:Control diet | Sample source:Mouse retina Genotype:Wild-type | Treatment:Control diet | Sample source:Mouse retina Genotype:Wild-type | Treatment:Control diet | Sample source:Mouse retina Genotype:Wild-type | Treatment:Control diet | Sample source:Mouse retina Genotype:Wild-type | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina Genotype:Wild-type | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina Genotype:Wild-type | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina Genotype:Wild-type | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina Genotype:Wild-type | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina Genotype:PHGDH+/- | Treatment:Control diet | Sample source:Mouse retina Genotype:PHGDH+/- | Treatment:Control diet | Sample source:Mouse retina Genotype:PHGDH+/- | Treatment:Control diet | Sample source:Mouse retina Genotype:PHGDH+/- | Treatment:Control diet | Sample source:Mouse retina Genotype:PHGDH+/- | Treatment:Control diet | Sample source:Mouse retina Genotype:PHGDH+/- | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina Genotype:PHGDH+/- | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina Genotype:PHGDH+/- | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina Genotype:PHGDH+/- | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina Genotype:PHGDH+/- | Treatment:Serine/glycine-depleted diet | Sample source:Mouse retina Cer 18:1/16:0 218.3249371 264.5602392 259.1481876 238.9299685 269.1016078 294.0006208 351.2620854 260.1358587 240.9111265 258.4676585 225.5061526 284.0503822 195.9975103 220.6400462 262.3347478 264.2073214 209.2723446 222.938899 282.8070776 300.8868754 Cer 18:1/18:0 95.67839047 94.98033858 122.3945517 103.9294654 102.2959109 96.43445302 151.1074368 93.35542252 115.6205948 109.4211568 117.442205 131.281687 110.0756198 132.0010795 113.3971304 127.5465558 110.8150351 115.1873665 107.5562162 129.4593084 Cer 18:1/20:0 565.871391 585.0575158 716.0143085 594.2504418 609.4636551 602.564407 907.3166298 657.9702986 656.9646747 459.8490032 769.8451438 586.6024728 442.6334644 692.9041283 674.6728387 580.4983356 585.1882466 589.9917503 640.8875512 714.2513523 Cer 18:1/22:0 514.8165683 472.3892911 657.921828 587.2575079 636.0358847 549.017277 707.0105425 543.4927337 638.3964258 433.8120412 666.033045 641.1422913 400.8704685 621.1110137 640.8629338 505.4283265 518.5621927 421.8772394 547.6733457 513.2725659 Cer 18:1/24:0 111.3505324 166.778717 185.8312741 194.8446978 137.4997316 117.4150042 167.7751597 172.3211076 164.594146 134.5929666 183.7784897 221.3501484 161.6818651 161.1670324 162.0196454 109.8681318 126.9535477 125.6179531 155.1826832 157.2761447 Cer 18:1/24:1 247.7506231 280.3060676 337.2958394 271.0364712 267.4916527 266.7019218 367.9960627 252.1138913 292.5525295 248.3124194 343.4972833 266.6569888 194.1976355 287.1917993 273.6568617 272.7104251 282.6509834 251.0657498 252.0931918 264.2075321 DHCer 18:0/16:0 1.723290058 1.732633783 1.772952397 1.755924016 1.85638973 1.823863322 1.835998793 2.025956135 1.809926792 3.104324661 1.965585093 1.836802666 2.460470943 1.483135633 1.493520822 1.75440094 1.459659446 1.518400529 1.894446296 1.872480967 DHCer 18:0/18:0 1.171203656 1.18792331 1.33705815 1.102134156 1.125593915 1.176981042 1.141387858 1.315155716 1.289350793 1.698059335 1.498901904 1.233922834 1.129792607 1.228380983 0.975447456 1.293215145 1.185078019 1.335349615 1.464544037 1.338673362 DHCer 18:0/20:0 1.379162162 1.385910528 1.516854729 1.324961301 1.235027091 1.289705908 1.495190482 1.484613389 1.558890735 1.68675951 1.7563835 1.519140207 1.499022166 2.221672707 1.252991137 1.551597956 1.588838703 1.582825939 1.416181795 1.373681128 DHCer 18:0/22:0 0.305455023 0.327453808 0.256711075 0.258004155 0.244433097 0.256584591 0.208006445 0.309982727 0.254335916 0.423931079 0.352595672 0.310317059 0.371938374 0.66059875 0.257780413 0.225355183 0.272596709 0.256755947 0.290349697 0.255240341 DHCer 18:0/24:1 0.211088103 0.200839603 0.310145692 0.231488375 0.219054113 0.189311058 0.184356798 0.235800839 0.233734923 0.231125206 0.233606094 0.182033644 0.197779621 0.2430794 0.203607613 0.221285111 0.178394512 0.256135335 0.225455465 0.2059444 doxDHCer 18:0/18:0 49.32305461 68.91056033 98.06018313 59.52504455 61.09859394 185.5170298 217.825653 193.9590749 188.7197355 140.2919852 100.8255704 79.4858417 41.53874913 84.81915522 100.627976 222.5124309 252.2230767 254.6050027 296.5729259 315.3527738 doxDHCer 18:0/20:0 90.69147324 103.8242816 141.4607529 85.38329696 100.6540755 289.8905168 277.8332414 289.9469834 277.1282414 249.6856769 151.3360458 127.1344442 81.82643776 146.1682284 165.6568011 327.7798073 376.0727468 337.0798037 374.523261 438.7608005 doxDHCer 18:0/22:0 24.40283996 30.72638499 36.17348105 24.25540955 24.02977573 43.97894016 52.91836385 62.94843103 64.1269497 60.64991706 35.43827606 36.31518889 31.17029022 32.00905299 35.37427295 61.30266359 83.42496608 55.4539667 82.8964673 108.5228269 Gluc/Gal-Cer 18:1/16:0 72.12622771 76.57507342 92.20872826 95.21872606 71.27201655 89.06357702 111.4159835 114.1708499 111.3022098 85.7515031 104.1210872 85.45617458 80.98431197 91.48047193 108.5887539 86.87677748 83.26376831 84.08457969 119.5870626 107.4804668 Gluc/Gal-Cer 18:1/18:0 11.73844574 11.43200678 11.73701298 10.34789392 9.298184539 11.27723459 12.14274122 14.4188633 11.39737663 20.21962595 17.05152769 12.93747983 14.53384439 13.0040871 12.59922669 14.58171219 11.01466305 10.18207517 12.01904929 21.33057041 Gluc/Gal-Cer 18:1/20:0 5.708604219 9.279563371 8.938247229 12.57848494 6.811252618 5.516001466 7.050301911 9.671299928 8.804046755 12.39082349 14.52991135 9.85745126 9.78196294 7.584723281 5.177764395 6.755034782 4.604830054 6.999003476 10.13005003 19.3589882 Gluc/Gal-Cer 18:1/22:0 26.12528772 37.6437029 41.22354181 59.24344932 31.67545731 27.61536631 39.72626755 57.63596612 51.49798431 58.37937695 66.69251292 56.41959619 41.01764495 33.48552429 29.49911015 41.44518612 25.55894216 26.52380973 50.47388525 103.3408938 Gluc/Gal-Cer 18:1/24:0 10.40760549 17.60698707 15.75058445 28.25097706 13.27088247 8.017364414 16.80966673 22.48182362 22.13812403 85.51147619 50.20779936 20.82996805 15.60168292 10.67766785 9.783994141 17.65972258 9.030039078 9.191220082 18.55038083 105.4624062 Gluc/Gal-Cer 18:1/24:1 14.08734255 13.73385508 13.22933897 9.524968995 10.21240373 7.499526394 12.78288368 14.89878334 24.59633525 77.7173946 35.1691684 11.72314627 10.03768217 10.92671401 9.087966796 14.01692756 8.54016354 7.80482744 11.46080337 150.7368306 Lact-Cer 18:1/16:0 19.09125292 19.30920531 23.26815685 16.45649432 18.13571367 16.47566795 23.53555374 18.89195663 22.8785832 23.48436624 23.90822856 20.19460041 19.85341161 18.85085918 25.52543604 18.3874065 19.53519467 16.32421665 21.4905205 21.83997614 Lact-Cer 18:1/18:0 15.53523722 14.96729991 16.69683687 14.0738291 13.83041789 14.01808025 17.30121604 17.07720617 16.19476926 16.00919821 19.48122257 16.20051788 14.57774659 17.73550804 19.61431787 12.92854257 12.81726834 15.27830346 14.98471119 15.04270166 SO-C18:1 26.58871591 21.75376939 22.12183986 28.41622847 24.68961728 24.89225985 28.83989693 25.78084064 27.37528966 19.79446473 30.16634562 27.29727473 26.80021118 27.4673081 28.8366073 18.60884259 23.35638906 20.88397658 25.2778834 27.6927221 SA-C18:0 1.481918838 1.261328968 1.677567299 1.296287667 1.7022256 1.512055889 1.33907637 1.303575316 1.65867563 1.52889878 1.647405679 1.320199093 1.336612254 1.754980874 1.656757073 1.63201776 1.655091674 1.108473901 1.237797808 1.466383454 doxSA-C18:0 0.05039202 0.204388015 0.031783365 0.171506122 0.119724822 0.01664227 0.199963933 0.019592578 0.26877698 0.210008112 0.13693965 0.113996223 0.160828486 0.401520802 0.159252647 0.020593782 0.093812755 0.155058656 0.311595966 0.313764397 SM-C14:0 51.14254308 60.30568295 61.10658893 49.7828293 56.30603471 40.54358412 55.97818338 48.76857793 56.83858118 70.02688823 56.47900859 51.61523615 63.42728363 50.04139381 48.57552095 56.13456013 46.54329726 39.45732849 49.06003583 48.53449886 SM-C16:0 3296.450985 3297.105984 3569.948714 3078.369298 3306.019321 2759.611326 3568.379248 3283.942657 3383.292399 4442.266302 3585.222585 3449.807108 4066.328392 3432.516909 3123.514518 3393.61766 2991.479943 2858.48367 3512.234862 3416.817103 SM-C18:0 809.6783863 844.8159573 855.5288597 770.2305914 798.2488409 725.5822283 929.9073352 836.297634 843.1475381 969.7935956 893.326529 866.6035872 919.1241256 925.216001 783.1062774 887.5058498 734.5335242 741.5581402 849.8667495 844.3554922 SM-C18:1 810.7659374 555.9647077 895.802526 743.0263495 821.6457251 786.0908214 1000.571135 900.1459045 906.1264559 1010.115563 880.9227059 845.1179477 868.6877187 921.3274067 870.0925321 903.2241491 784.0963307 770.1114445 883.923448 852.3676591 SM-C20:0 512.9733944 584.4275062 579.3956421 532.1937729 538.280762 476.9112543 626.6309111 523.7732848 556.7241974 601.0104343 609.1433954 619.934483 601.3798829 623.3916072 519.4005397 566.857378 457.1239957 445.0692459 550.605492 534.0861863 SM-C20:1 105.5213581 99.81118824 125.6920845 119.6305986 123.314909 99.42502048 129.2362745 122.6842203 118.4457823 133.8228622 137.8345576 144.0569222 112.1762657 120.8912517 100.8172793 119.4596308 94.97213583 98.9262101 131.7294236 123.0547075 SM-C22:0 1485.829204 1834.016651 1826.052724 1634.118802 1676.382354 1441.369188 1960.015039 1729.202194 1793.180382 1857.275219 2007.135373 1920.70843 1724.874122 1735.513052 1408.922556 1706.363124 1339.451423 1366.890587 1928.182068 1852.98794 SM-C22:1 306.9962823 343.3564437 408.9863705 366.1500478 376.9563904 306.5969518 423.0024858 402.0431075 388.2344691 430.7866447 429.6195824 446.6471323 354.6660717 337.5094475 275.7215613 365.7496888 282.8686396 297.8065325 458.5693342 411.0616907 SM-C24:0 511.9438919 809.3421774 666.5038811 652.3534976 558.8190733 440.8263231 676.7914025 626.4666582 635.575217 844.1048491 734.930729 766.7462138 715.9899001 521.6782166 391.782037 592.143033 438.6953433 471.6883644 719.0880965 822.4444275 SM-C24:1 674.0071404 757.4640582 814.3288886 728.7972164 656.2628305 562.8236845 806.6411743 704.9300925 735.910713 921.7398431 844.2936799 715.6151135 804.0629292 695.631019 633.2288278 668.3802005 625.2068303 609.8191986 711.9898613 813.4096864 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Precursor m/z Product ion m/z Cer 18:1/16:0 538.4 264.3 Cer 18:1/18:0 566.4 264.3 Cer 18:1/20:0 594.4 264.3 Cer 18:1/22:0 622.4 264.3 Cer 18:1/24:0 650.4 264.3 Cer 18:1/24:1 648.4 264.3 DHCer 18:0/16:0 540.4 522.4 DHCer 18:0/18:0 568.4 550.4 DHCer 18:0/20:0 596.4 578.4 DHCer 18:0/22:0 624.4 606.4 DHCer 18:0/24:1 650.4 632.4 doxDHCer 18:0/18:0 552.4 268.3 doxDHCer 18:0/20:0 580.4 268.3 doxDHCer 18:0/22:0 608.4 268.3 Gluc/Gal-Cer 18:1/16:0 700.4 264.2 Gluc/Gal-Cer 18:1/18:0 728.4 264.2 Gluc/Gal-Cer 18:1/20:0 756.4 264.2 Gluc/Gal-Cer 18:1/22:0 784.4 264.2 Gluc/Gal-Cer 18:1/24:0 812.4 264.2 Gluc/Gal-Cer 18:1/24:1 810.4 264.2 Lact-Cer 18:1/16:0 862.4 264.2 Lact-Cer 18:1/18:0 890.4 264.2 SO-C18:1 300.4 282.4 SA-C18:0 302.4 284.4 doxSA-C18:0 286.4 268.4 SM-C14:0 675.4 184 SM-C16:0 703.4 184 SM-C18:0 731.4 184 SM-C18:1 729.4 184 SM-C20:0 759.4 184 SM-C20:1 757.4 184 SM-C22:0 787.4 184 SM-C22:1 785.4 184 SM-C24:0 815.4 184 SM-C24:1 813.4 184 METABOLITES_END #END