#METABOLOMICS WORKBENCH AF_20230406_082321 DATATRACK_ID:3849 STUDY_ID:ST002546 ANALYSIS_ID:AN004193 PROJECT_ID:PR001639 VERSION 1 CREATED_ON April 7, 2023, 9:05 am #PROJECT PR:PROJECT_TITLE Lipidomic profiles of Toxplasma gondii-infected mice PR:PROJECT_SUMMARY Cachexia is a life-threatening disease characterized by chronic, inflammatory PR:PROJECT_SUMMARY muscle wasting and systemic metabolic impairment. Despite its high prevalence, PR:PROJECT_SUMMARY there are no efficacious therapies for cachexia. Mice chronically infected with PR:PROJECT_SUMMARY the protozoan parasite Toxoplasma gondii represent a novel animal model PR:PROJECT_SUMMARY recapitulating the chronic kinetics of cachexia. To understand how perturbations PR:PROJECT_SUMMARY to metabolic tissue homeostasis influence circulating metabolite availability we PR:PROJECT_SUMMARY used mass spectrometry analysis. Despite the significant reduction in PR:PROJECT_SUMMARY circulating triacylglycerides, nonesterified fatty acids, and glycerol, PR:PROJECT_SUMMARY sphingolipid long-chain bases and a subset of phosphatidylcholines (PCs) were PR:PROJECT_SUMMARY significantly increased in the sera of mice with T. gondii infection-induced PR:PROJECT_SUMMARY cachexia. In addition, the TCA cycle intermediates -ketoglutarate, 2- PR:PROJECT_SUMMARY hydroxyglutarate, succinate, fumarate, and malate were highly depleted in PR:PROJECT_SUMMARY cachectic mouse sera. Sphingolipids and their de novo synthesis precursors PCs PR:PROJECT_SUMMARY are the major components of the mitochondrial membrane and regulate PR:PROJECT_SUMMARY mitochondrial function consistent with a causal relationship in the energy PR:PROJECT_SUMMARY imbalance driving T. gondii-induced chronic cachexia. PR:INSTITUTE University of Virginia PR:LAST_NAME Feng PR:FIRST_NAME Tzu-Yu PR:ADDRESS 345 Crispell Dr. PR:EMAIL ttf4ye@virginia.edu PR:PHONE 702-217-4454 #STUDY ST:STUDY_TITLE Lipidomic profile of Toxplasma gondii-infected mice (Negative mode MS) ST:STUDY_SUMMARY Cachexia is a life-threatening disease characterized by chronic, inflammatory ST:STUDY_SUMMARY muscle wasting and systemic metabolic impairment. Despite its high prevalence, ST:STUDY_SUMMARY there are no efficacious therapies for cachexia. Mice chronically infected with ST:STUDY_SUMMARY the protozoan parasite Toxoplasma gondii represent a novel animal model ST:STUDY_SUMMARY recapitulating the chronic kinetics of cachexia. To understand how perturbations ST:STUDY_SUMMARY to metabolic tissue homeostasis influence circulating metabolite availability we ST:STUDY_SUMMARY used mass spectrometry analysis. Despite the significant reduction in ST:STUDY_SUMMARY circulating triacylglycerides, nonesterified fatty acids, and glycerol, ST:STUDY_SUMMARY sphingolipid long-chain bases and a subset of phosphatidylcholines (PCs) were ST:STUDY_SUMMARY significantly increased in the sera of mice with T. gondii infection-induced ST:STUDY_SUMMARY cachexia. In addition, the TCA cycle intermediates -ketoglutarate, 2- ST:STUDY_SUMMARY hydroxyglutarate, succinate, fumarate, and malate were highly depleted in ST:STUDY_SUMMARY cachectic mouse sera. Sphingolipids and their de novo synthesis precursors PCs ST:STUDY_SUMMARY are the major components of the mitochondrial membrane and regulate ST:STUDY_SUMMARY mitochondrial function consistent with a causal relationship in the energy ST:STUDY_SUMMARY imbalance driving T. gondii-induced chronic cachexia. ST:INSTITUTE University of Virginia ST:LAST_NAME Feng ST:FIRST_NAME Tzu-Yu ST:ADDRESS 345 Crispell Dr. ST:EMAIL ttf4ye@virginia.edu ST:PHONE 702-217-4454 #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 - Toxoplasma infected-7 Factor:Infected RAW_FILE_NAME=Ewald001_posCSH_15 (Cage 6, Mouse 3)_015.d SUBJECT_SAMPLE_FACTORS - Uninfected-3 Factor:Uninfected RAW_FILE_NAME=Ewald002_posCSH_3 (Cage 1, Mouse 4)_003.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-1 Factor:Infected RAW_FILE_NAME=Ewald003_posCSH_9 (Cage 3, Mouse 1)_009.d SUBJECT_SAMPLE_FACTORS - Uninfected-2 Factor:Uninfected RAW_FILE_NAME=Ewald004_posCSH_2 (Cage 1, Mouse 2)_002.d SUBJECT_SAMPLE_FACTORS - Uninfected-5 Factor:Uninfected RAW_FILE_NAME=Ewald005_posCSH_5 (Cage 2, Mouse 2)_005.d SUBJECT_SAMPLE_FACTORS - Uninfected-7 Factor:Uninfected RAW_FILE_NAME=Ewald006_posCSH_7 (Cage 2, Mouse 4)_007.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-2 Factor:Infected RAW_FILE_NAME=Ewald007_posCSH_10 (Cage 3, Mouse 2)_010.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-4 Factor:Infected RAW_FILE_NAME=Ewald008_posCSH_12 (Cage 3, Mouse 4)_012.d SUBJECT_SAMPLE_FACTORS - Uninfected-8 Factor:Uninfected RAW_FILE_NAME=Ewald009_posCSH_8 (Cage 2, Mouse 5)_008.d SUBJECT_SAMPLE_FACTORS - Uninfected-1 Factor:Uninfected RAW_FILE_NAME=Ewald010_posCSH_1 (Cage 1, Mouse 1)_001.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-3 Factor:Infected RAW_FILE_NAME=Ewald011_posCSH_11 (Cage 3, Mouse 3)_011.d SUBJECT_SAMPLE_FACTORS - Uninfected-6 Factor:Uninfected RAW_FILE_NAME=Ewald012_posCSH_6 (Cage 2, Mouse 3)_006.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-6 Factor:Infected RAW_FILE_NAME=Ewald013_posCSH_14 (Cage 4, Mouse 5)_014.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-5 Factor:Infected RAW_FILE_NAME=Ewald014_posCSH_13 (Cage 3, Mouse 5)_013.d SUBJECT_SAMPLE_FACTORS - Toxoplasma infected-8 Factor:Infected RAW_FILE_NAME=Ewald015_posCSH_16 (Cage 6, Mouse 5)_016.d SUBJECT_SAMPLE_FACTORS - Uninfected-4 Factor:Uninfected RAW_FILE_NAME=Ewald016_posCSH_4 (Cage 2, Mouse 1)_004.d #COLLECTION CO:COLLECTION_SUMMARY Serum collected from T. gondii-infected mice at 9 wk post-infection. Serum CO:COLLECTION_SUMMARY samples from uninfected mice were included as controls. CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY 10–14-week-old male C57BL/6 mice were infected with 10 Me49 bradyzoite cysts TR:TREATMENT_SUMMARY by intraperitoneal infection resuspended in 200 Μl PBS per mouse using a 5G TR:TREATMENT_SUMMARY 5/8” tuberculin syringe. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Serum samples were stored at -80C before the mass spectrometry assay. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 60% water/40% acetonitrile; 5 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 90% isopropanol/10% methanol; 5 mM ammonium formate; 0.1% formic acid CH:FLOW_GRADIENT 15%-99% CH:FLOW_RATE 0.6 ml/min CH:COLUMN_TEMPERATURE 65 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Samples extracted using Matyash extraction procedure which includes MTBE, MeOH, MS:MS_COMMENTS and H2O. The organic (upper) phase was dried down and submitted for resuspension MS:MS_COMMENTS and injection onto the LC while the aqueous (bottom) phase was dried down and MS:MS_COMMENTS submitted to derivatization for GC. They are resuspended with 110 uL of a MS:MS_COMMENTS solution of 9:1 methanol: toluene and 50 ng/mL CUDA. This is then shaken for 20 MS:MS_COMMENTS seconds, sonicated for 5 minutes at room temperature, and then centrifuged for 2 MS:MS_COMMENTS minutes at 16100 rcf. The samples are then aliquoted into three parts. 33 uL are MS:MS_COMMENTS aliquoted into a vial with a 50 uL glass insert for positive and negative mode MS:MS_COMMENTS lipidomics. The last part is aliquoted into an eppendorf tube to be used as a MS:MS_COMMENTS pool. The samples are then loaded up on an Agilent 1290 Infinity LC stack. The MS:MS_COMMENTS positive and negative mode were run on an Agilent 6530 with a scan range of m/z MS:MS_COMMENTS 120-1200 Da with an acquisition speed of 2 spectra/s. Between 0.5 and 2 uL were MS:MS_COMMENTS injected onto a Waters ACQUITY UPLC CSH C18 1.7um 2.1x100mm Column with VanGuard MS:MS_COMMENTS PreColumn 2.1x5 mm . The gradient used is 0 min 15% (B), 0–2 min 30% (B), MS:MS_COMMENTS 2–2.5 min 48% (B), 2.5–11 min 82% (B), 11–11.5 min 99% (B), 11.5–12 min MS:MS_COMMENTS 99% (B), 12–12.1 min 15% (B), 12.1–15 min 15% (B) with a flow rate of 0.6 MS:MS_COMMENTS mL/min. The mass resolution for the Agilent 6530 is 10,000 for ESI (+). MS:MS_RESULTS_FILE ST002546_AN004193_Results.txt UNITS:peak heights Has m/z:No Has RT:No RT units:No RT data #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Reads MS_METABOLITE_DATA_START Samples Uninfected-1 Uninfected-2 Uninfected-3 Uninfected-4 Uninfected-5 Uninfected-6 Uninfected-7 Uninfected-8 Toxoplasma infected-1 Toxoplasma infected-2 Toxoplasma infected-3 Toxoplasma infected-4 Toxoplasma infected-5 Toxoplasma infected-6 Toxoplasma infected-7 Toxoplasma infected-8 Factors Factor:Uninfected Factor:Uninfected Factor:Uninfected Factor:Uninfected Factor:Uninfected Factor:Uninfected Factor:Uninfected Factor:Uninfected Factor:Infected Factor:Infected Factor:Infected Factor:Infected Factor:Infected Factor:Infected Factor:Infected Factor:Infected Ceramide (d34:0) 2597 2984 1723 2725 3436 2485 1895 2319 2135 4251 2265 3679 4116 4383 2581 5605 Ceramide (d34:1) 15956 20915 18913 19331 22924 18741 18730 20966 19261 27467 24309 32188 32004 29531 31562 29912 Ceramide (d38:1) 2346 2923 2854 2941 2631 3003 2470 2743 1114 2803 1791 1818 2526 2590 1126 2936 Ceramide (d40:0) 1154 1478 1859 1661 1888 1565 1884 2375 1810 2468 1774 1108 2227 2223 2194 Ceramide (d40:1) 22837 56774 62423 51817 58836 67352 41843 45718 10993 40211 19812 22861 33201 32914 12564 41167 Ceramide (d40:2) 4614 6000 6447 11518 8441 6553 8297 11402 1543 4196 2080 3562 3990 3259 1844 3489 Ceramide (d41:1) 12770 13802 14819 17620 17880 16394 14217 14855 9158 12461 12008 12860 14233 13078 12683 14723 Ceramide (d42:0) 3006 2750 3300 3318 5978 3835 2793 3315 2406 10448 4503 4593 8390 7336 3045 4586 Ceramide (d42:1) 28456 55534 63500 53506 69151 80649 42677 45891 30809 58349 42466 48795 63956 65085 30332 63149 Ceramide (d42:2) A 56219 61124 58449 74170 77348 71321 64047 69290 30812 55882 46254 49663 61532 60043 51771 49383 Ceramide (d42:2) B 6934 6277 8255 4959 Ceramide (d43:1) 1842 2219 2454 2914 2899 2601 2289 2111 1724 2150 2134 2402 3211 2347 2023 2048 EtherPE 38:4e; PE(18:0e/20:4); 7377 8340 6938 10055 7829 7021 8569 9468 5005 7716 9596 8390 7058 6528 7633 8262 EtherPE 40:6e; PE(18:0e/22:6); 8990 11136 9617 12315 9975 10493 12523 11639 5813 12818 10938 9155 8530 10067 8353 13459 FA (14:0) (myristic acid) 104122 59354 80312 80767 74436 83710 56766 80447 53076 48233 48752 67335 86256 56862 47116 55421 FA (14:1) (physeteric acid) 30366 10724 15018 12090 11827 22065 10502 14261 12402 9433 8009 7468 10783 9389 10590 7711 FA (15:0) (pentadecylic acid) 34868 29385 37229 37709 27792 31925 25862 33234 15548 19547 17095 15662 31011 19046 22153 23963 FA (15:1) 4248 3817 5219 3830 3287 6131 2969 3371 4737 3522 1821 1467 3054 3021 4696 3749 FA (16:1) (palmitoleic acid) 562872 501713 762529 979945 825451 691386 653325 1032541 337940 433521 343906 505733 760178 504336 317001 376607 FA (17:0) (margaric acid) 62054 56675 59522 67611 55558 57562 50699 58557 37233 48647 44936 41435 58185 39031 45216 55166 FA (17:1) (heptadecenoic acid) 30979 30745 39668 55245 43690 33862 42808 49160 20680 23239 21151 22837 36194 17602 24726 19018 FA (18:1) (oleic acid) 3612100 3659742 3908670 4604128 4256569 3695423 4023627 4354068 2682264 2934829 3073530 3033832 4271496 2915634 2768483 3418541 FA (18:2) (linoleic acid) 4306660 4849116 5210561 4851383 5444295 4897938 4547329 4687958 3397044 3986541 3668446 3737857 4941935 3830720 3387205 5169322 FA (18:3) (linolenic acid) 448190 458864 568199 490699 621397 527002 404819 500803 266477 338090 304843 389216 576816 355629 267482 607164 FA (20:0) (arachidic acid) 82685 76336 83375 92803 77680 83716 58005 67140 16183 57536 27113 42158 66313 45131 43093 78327 FA (20:1) (eicosenoic acid) 371634 337073 343558 444801 299453 243666 324683 321442 62742 217091 152294 117554 197228 149711 175570 212133 FA (20:2) (eicosadienoic acid) 83431 70314 86501 111140 114369 89780 103371 113490 59156 63789 68479 62453 107129 54459 91248 53207 FA (20:3) (eicosatrienoic acid) 29979 20765 26716 42719 27066 24709 34301 38353 31983 26384 47899 44505 45455 30242 38334 23708 FA (20:3) (homo-gamma-linolenic acid) 138627 193621 231116 315290 272665 223888 272314 296667 118992 171020 172800 158250 215225 174331 182121 150219 FA (20:4) (arachidonic acid) 636635 905623 922890 1060245 995949 1025104 1106333 981691 821441 880740 902877 625255 836693 754737 1014952 822636 FA (20:5) (eicosapentaenoic acid) 60094 118755 151405 149192 139771 140416 120073 150205 83198 103516 86652 106549 120168 131082 84979 116286 FA (22:0) (behenic acid) 13766 12974 15420 15536 13927 15876 10962 10994 4594 14056 7336 9832 13247 7384 9328 17562 FA (22:1) (erucic acid) 38042 29256 36114 48797 30271 27118 29630 34200 8385 22935 11669 16791 27353 16278 18222 33517 FA (22:2) (docosadienoic acid) 5302 5625 7834 9537 9754 6878 6911 7964 2797 3951 3036 2692 5504 2645 3939 3290 FA (22:6) (docosahexaenoic acid) 656722 919686 1111601 1112723 1098223 1153968 1181611 1145788 747093 794424 753113 606642 851978 734778 925985 835312 FA (24:0) (lignoceric acid) 18834 14812 15489 13812 15587 28663 13762 12959 10608 17565 13335 14374 16639 12872 15150 16241 FA (24:1) (nervonic acid) 12967 9459 12134 13732 11180 11512 11086 8262 5737 11310 6271 7581 9428 7530 9656 9146 FA (8:0) (caprylic acid) 3854 1702 1573 1608 1996 1497 9431 1950 1812 2529 6983 2565 11192 1904 1268 1672 FA 19:0; 45033 36647 43271 60452 40081 39953 42166 37385 12389 31103 20311 19592 26000 16212 24053 28227 GlcCer (d38:1) 1134 841 1078 1087 1246 1338 1196 1137 671 870 866 746 815 748 575 842 GlcCer (d40:1) 15330 27143 29312 32203 27968 29448 31395 29169 6420 15252 12910 12686 13852 12410 11228 15334 GlcCer (d42:1) 6370 9841 9997 10578 12272 13481 7882 11786 6278 9959 11727 8730 10933 12215 12809 14129 GlcCer (d42:2) 28498 22679 19137 28478 24405 15501 22212 29303 17790 20195 25446 25247 26384 24912 34596 25354 GlcCer(d14:1(4E)/20:0(2OH)) 4205 6012 4269 6548 7277 6158 5490 6015 1806 3873 4637 6419 5911 5048 5809 7593 LPC (14:0) 3261 2417 3155 2987 3848 3363 3533 3726 1824 1961 3284 2778 3279 2770 3029 2885 LPC (16:0) 741810 886385 963793 1017392 1028226 1012143 1021651 985698 664790 829001 793349 806436 898403 968515 818411 925359 LPC (16:1) 24424 27028 34127 43176 40385 33454 40257 42691 11903 20579 18182 23393 25038 28550 32052 18668 LPC (18:0) A 45288 60518 67926 63660 65306 62688 66634 65131 58671 64576 78611 67681 64702 80163 66206 84883 LPC (18:0) B 397304 515631 546824 543267 547099 521318 575643 566675 515166 564412 662693 577730 529258 677905 557448 682388 LPC (18:1) 230867 253938 262317 354841 301632 309445 344912 340085 158772 228689 217439 255918 237663 296294 302710 192985 LPC (18:2) 572158 602535 656623 741289 740947 774866 701217 674121 383336 571768 517943 556925 574971 545369 588817 574153 LPC (20:1) 10802 13231 12647 17510 15671 14302 15572 17437 4626 9259 6537 6981 8680 9351 10309 7570 LPC (20:2) 8562 9210 9113 13438 11533 10250 11041 11951 7313 8046 9097 9676 9738 11527 13352 7505 LPC (20:3) 49472 61871 57122 100413 78544 77660 79766 93138 30128 48738 41250 57530 44982 69073 45084 46292 LPC (22:5) 4835 7517 8663 13643 11268 11577 9906 11734 6695 11494 9931 13561 10656 16836 11448 10583 LPE (16:0) 25607 26587 27968 40017 37482 35032 33160 34362 15992 23187 24017 27838 34378 34626 29972 35342 LPE (18:2) 55101 62341 50595 82399 82787 76132 60784 68587 24683 49366 35306 53078 68340 46560 49871 52410 LPE (20:4) 72407 111062 84324 128639 131391 117636 115714 125147 47696 68312 77752 84790 99625 80258 86042 74825 LPE (22:6) 47571 70695 57480 80026 86999 79366 75231 87921 36098 46245 46534 59523 70735 71590 65676 57461 LysoPC 20:0; 11219 27233 28988 27604 31788 28341 22723 24229 4199 16690 6547 8075 12083 11451 5872 14628 LysoPC 20:4; 233063 194717 189824 213602 206298 210546 236600 234451 123854 147652 168815 149443 140717 163361 200716 157792 LysoPC 22:6; 130772 132127 154531 164916 158483 177536 168562 170707 104317 124514 129288 120576 121912 153522 148726 143869 PC (32:0) 39233 39412 34975 40281 52721 40153 43188 38078 34639 54239 42278 39028 49334 43791 45545 43084 PC (32:1) 6462 8021 7597 12014 10359 8739 9387 10842 4220 8461 6308 9963 8882 10046 8253 6412 PC (32:2) 4520 6373 5950 5821 6747 5217 5562 6797 2254 4740 3724 6381 4719 3842 6671 3848 PC (33:1) 2362 3239 3049 3954 3370 3174 3219 3414 1750 2857 2506 2788 3075 2522 2980 1348 PC (33:2) 5631 7089 6572 6431 7474 6521 6705 5708 3077 4460 3585 3861 5273 3240 4530 4618 PC (34:0) 15644 17985 17702 18031 20456 17898 18567 18008 15452 21271 20477 19519 18809 21773 20113 22083 PC (34:1) 176182 227308 233729 292899 267794 264535 260654 259043 142940 209949 190409 242293 260231 279300 211821 205083 PC (34:2) 352442 535759 487586 551791 578594 555553 540514 524277 284072 445801 400247 477978 495906 423809 420569 498977 PC (34:3) 25128 40876 35430 55608 48303 46298 45473 50915 12226 26751 23611 35154 35809 35183 35519 27282 PC (34:4) 1779 2071 1449 2201 2399 1538 2207 2296 808 1245 1406 1902 1401 1177 2078 1130 PC (35:1) 3663 4123 3743 5415 4629 4039 4971 4358 3038 3862 3702 3801 4010 3457 4240 3427 PC (35:2) 20524 19315 16671 21085 21032 18775 20871 18551 12678 16525 17179 16821 17647 12217 16420 18679 PC (35:4) 3377 4816 3931 3659 4806 3762 5029 4015 2409 3170 2820 3196 2857 2093 4535 2835 PC (36:1) 71106 84084 80451 103926 93517 89702 97808 100237 49555 83123 95639 105770 93330 133851 93750 88186 PC (36:2) 281759 357686 324030 374831 395305 353994 356543 368771 254795 329387 366411 377350 355136 356015 334470 414479 PC (36:3) A 118203 126501 114463 154991 145406 142998 162245 157374 84721 119630 136266 136513 141342 125109 162714 118165 PC (36:3) B 88774 136881 114277 151477 140850 132113 134657 146241 71950 103633 92729 118652 108401 120967 86305 103169 PC (36:4) A 95038 115093 106968 124663 127744 127205 128294 118955 68354 105322 106912 108120 109611 83599 114330 113799 PC (36:4) B 264990 326206 289238 318121 325154 303364 330988 325014 206713 244299 254044 253751 259187 246641 286115 260239 PC (36:5) A 7914 15813 13211 12774 17147 16931 14521 14031 5767 10893 9778 12682 11420 10063 14695 12268 PC (36:5) B 6766 10891 10393 15408 12413 11816 9452 14632 7771 10751 9307 18594 14957 15397 10942 12294 PC (37:2) 22598 18278 19337 25784 23355 17143 23637 20307 7328 14789 11855 12240 12505 7497 14792 13109 PC (37:4) 6183 7774 5736 5486 5950 5240 7457 6432 6031 5465 6217 5320 4415 4009 7862 6004 PC (38:3) 49400 78292 66770 89841 79519 72300 81723 95543 61318 69045 83226 92155 71338 102850 65003 86831 PC (38:4) A 129606 167268 134563 131226 145918 136955 158365 165353 136228 131059 174125 157810 127660 145819 170846 177489 PC (38:5) A 38272 44400 38471 50506 48396 38555 55544 60299 36667 41457 45898 53211 43391 50205 75404 35478 PC (38:5) B 13733 8684 8321 11247 10127 9883 11410 11167 10815 9891 12523 17175 13082 14353 16429 11850 PC (38:6) 190991 291147 265103 308075 298135 280687 316446 307572 159168 214862 232563 226107 237939 246906 285859 271618 PC (40:4) 3345 4596 4213 5339 4735 4633 4876 4819 6018 5305 7156 8320 6550 7327 7246 5909 PC (40:5) A 5543 9039 8380 10827 10262 8674 9346 10889 7555 10122 9526 13490 10774 15033 9369 11802 PC (40:5) B 5211 2682 2850 3752 3695 3357 4255 3586 5071 3858 5621 6427 4568 6000 6804 3799 PC (40:6) B 51939 81344 77162 79553 76679 77104 83010 83536 83240 81010 103891 94125 84594 109292 88451 120392 PC (40:7) 22930 32985 28816 38951 34192 30310 42964 42805 24354 27357 35941 30677 32243 27935 49203 29183 PC (40:8) 13874 23339 19105 21822 22338 22707 25566 22087 12458 16001 17881 14655 14078 15919 21185 17478 PC (p-32:0) or PC (o-32:1) 1671 2906 1997 2687 1416 2265 2440 690 1934 2265 884 1961 1849 1266 1632 2613 PC (p-34:0) or PC (o-34:1) 5990 6540 5102 5507 7057 5787 7147 5701 5184 7459 6939 6313 7232 7013 6169 5738 PC (p-34:1) or PC (o-34:2) A 4320 3582 4407 4436 4638 3789 4115 2938 1891 2701 2764 2449 3053 2375 2771 2418 PC (p-34:1) or PC (o-34:2) B 1582 1376 1424 1211 980 1042 1259 1142 840 1206 955 302 1123 875 1274 922 PC (p-34:2) or PC (o-34:3) 2607 2771 2853 3519 2930 2974 2868 3199 1565 2038 2608 2306 2377 2055 1856 2193 PC (p-36:3) or PC (o-36:4) 6978 8495 7275 8079 7933 6892 8312 7452 5030 8182 7677 6092 7794 6613 8811 6570 PC (p-36:4) or PC (o-36:5) 3388 4210 3813 4364 3537 3255 4460 4211 2836 2469 3388 2314 2745 2188 3158 2919 PC (p-38:3) or PC (o-38:4) 3147 3749 3325 3527 3570 3265 4036 3787 2460 3134 3258 2607 2677 2753 3562 2729 PC (p-38:4) or PC (o-38:5) A 5705 6896 6138 7250 6456 5718 8107 7022 4855 5477 6030 4759 6287 4688 7743 4324 PC (p-38:4) or PC (o-38:5) B 1752 1443 1343 779 1239 1664 1434 989 1199 1322 1249 1073 1116 1292 1261 1250 PC (p-40:3) or PC (o-40:4) 1803 2490 1911 1987 2210 1563 2180 2043 1635 1551 1965 1598 1105 2006 1696 1606 PC (p-40:4) or PC (o-40:5) 967 1451 1156 1456 1542 1011 1186 1306 842 1003 1063 1037 915 1065 1211 879 PC (p-42:4) or PC (o-42:5) 698 1043 1293 1012 871 1050 1070 1203 899 1102 1373 1162 895 1079 1067 840 PE (34:2) 2310 2470 1856 2285 4480 2044 2071 2164 1295 1944 1467 2154 3326 2132 1948 2404 PE (36:2) 4260 3875 2933 3732 7928 3268 4096 4202 2519 4883 2838 4675 6761 4236 3573 5021 PE (36:3) 1217 1413 865 1425 3052 1221 1476 1312 444 1177 1202 1648 1705 1226 1092 1038 PE (36:4) 1655 3389 2107 3356 8007 2544 3542 4299 1309 3872 2266 3306 4717 3139 2945 2313 PE (38:2) 1278 1693 1491 1551 1785 1670 1639 1707 789 1570 1553 1603 1589 1694 1604 1907 PE (38:4) B 6013 11207 6605 11305 27396 9130 10452 13418 4861 20120 13395 13818 19803 13845 9383 17152 PE (38:6) 5147 4967 3929 2159 10601 4208 5239 5910 3084 5534 4011 4958 7695 6287 5533 5873 PE (p-34:2) or PE (o-34:3) 2049 3219 2762 3694 3563 2499 3368 3241 1076 2150 1758 1964 2329 1925 1530 PE (p-36:1) or PE (o-36:2) 2208 1816 1334 1991 1892 1948 2043 2144 1495 1661 1464 1455 1898 1595 1222 1696 PE (p-36:2) or PE (o-36:3) 5432 5795 5226 6722 5690 5099 5801 5975 2737 4469 3726 4422 4882 3971 3074 4292 PE (p-36:4) or PE (o-36:5) 5703 7947 5743 8104 10947 6507 7071 7036 3959 14979 9487 7496 10041 8901 4715 7041 PE (p-38:4) or PE (o-38:5) 10379 13851 10147 13730 13122 10565 12649 15054 7783 15136 12509 12282 15292 11317 8745 13793 PE (p-38:5) or PE (o-38:6) 1725 2976 2211 3285 5715 2433 3012 2821 1634 7562 4174 3342 5170 4689 2500 3291 PE (p-38:6) or PE (o-38:7) 9148 13048 11468 15835 16394 11693 14316 12676 5743 15297 10907 9777 10957 11299 8461 13132 PE (p-40:6) or PE (o-40:7) 11166 13868 11514 14885 13542 12049 14352 13618 7343 15069 11543 10366 11602 10206 7942 14480 PI 38:4; PI(18:0/20:4); 493588 654072 578472 687674 644022 665070 769805 770780 434856 522943 604394 542966 524655 702402 495690 708135 SM (d32:1) 5560 4191 5048 5611 7143 5070 4572 4228 3101 3872 4348 4902 4193 4889 4079 4680 SM (d33:1) 6114 5941 5909 6108 6709 4965 7291 5994 5484 6418 6424 6277 4684 5680 8429 6168 SM (d34:0) 1381 1450 2340 1542 1467 1435 1491 1359 2228 2913 2329 2465 2068 2833 1968 2711 SM (d34:1) 66112 64724 61068 60968 65858 59084 66983 62042 97526 86287 99564 101414 91734 115065 99523 107787 SM (d34:2) 15604 25737 25017 27489 29232 24844 29953 26235 16960 24343 23568 22728 21697 26124 20750 24733 SM (d36:1) 5791 4955 5051 4632 5702 4992 4735 4150 6347 4847 6926 5711 4668 6884 6141 6402 SM (d36:2) 1191 1230 2324 2329 2459 1605 1166 2128 1875 2253 1311 2626 2190 2572 SM (d36:3) 877 967 863 966 1364 1692 982 1280 866 913 1073 940 1218 1336 780 1250 SM (d38:1) 3603 5893 5527 4715 5866 5695 4938 4584 3466 7214 5502 5400 5600 8678 3286 9620 SM (d39:1) 1029 1605 1825 1604 2013 1746 1514 1646 1106 1226 1423 1078 985 1515 1140 1373 SM (d40:1) 25690 75112 81090 60694 75805 67382 51723 53094 27399 63897 33190 43737 50786 61505 21317 75932 SM (d40:2) A 9886 15913 13822 19826 17255 13647 16504 19759 3325 11942 6292 8005 10695 14829 4238 10107 SM (d40:2) B 2916 11613 12407 5097 12672 11769 9402 4133 3121 8251 5110 4652 5022 6033 3086 8892 SM (d40:3) 1400 1792 1575 2193 1867 1655 2092 2296 1357 1510 1628 1236 1644 1640 1496 1575 SM (d41:1) 10783 18982 17945 17783 21557 17701 17197 15888 18481 16918 22291 23583 16379 24648 18128 25556 SM (d42:2) B 72634 92234 87639 95331 106517 91907 92505 94390 98251 89427 112119 112348 99145 131510 102749 117016 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Ceramide (d34:0) Ceramide (d34:1) Ceramide (d38:1) Ceramide (d40:0) Ceramide (d40:1) Ceramide (d40:2) Ceramide (d41:1) Ceramide (d42:0) Ceramide (d42:1) Ceramide (d42:2) A Ceramide (d42:2) B Ceramide (d43:1) EtherPE 38:4e; PE(18:0e/20:4); EtherPE 40:6e; PE(18:0e/22:6); FA (14:0) (myristic acid) FA (14:1) (physeteric acid) FA (15:0) (pentadecylic acid) FA (15:1) FA (16:1) (palmitoleic acid) FA (17:0) (margaric acid) FA (17:1) (heptadecenoic acid) FA (18:1) (oleic acid) FA (18:2) (linoleic acid) FA (18:3) (linolenic acid) FA (20:0) (arachidic acid) FA (20:1) (eicosenoic acid) FA (20:2) (eicosadienoic acid) FA (20:3) (eicosatrienoic acid) FA (20:3) (homo-gamma-linolenic acid) FA (20:4) (arachidonic acid) FA (20:5) (eicosapentaenoic acid) FA (22:0) (behenic acid) FA (22:1) (erucic acid) FA (22:2) (docosadienoic acid) FA (22:6) (docosahexaenoic acid) FA (24:0) (lignoceric acid) FA (24:1) (nervonic acid) FA (8:0) (caprylic acid) FA 19:0; GlcCer (d38:1) GlcCer (d40:1) GlcCer (d42:1) GlcCer (d42:2) GlcCer(d14:1(4E)/20:0(2OH)) LPC (14:0) LPC (16:0) LPC (16:1) LPC (18:0) A LPC (18:0) B LPC (18:1) LPC (18:2) LPC (20:1) LPC (20:2) LPC (20:3) LPC (22:5) LPE (16:0) LPE (18:2) LPE (20:4) LPE (22:6) LysoPC 20:0; LysoPC 20:4; LysoPC 22:6; PC (32:0) PC (32:1) PC (32:2) PC (33:1) PC (33:2) PC (34:0) PC (34:1) PC (34:2) PC (34:3) PC (34:4) PC (35:1) PC (35:2) PC (35:4) PC (36:1) PC (36:2) PC (36:3) A PC (36:3) B PC (36:4) A PC (36:4) B PC (36:5) A PC (36:5) B PC (37:2) PC (37:4) PC (38:3) PC (38:4) A PC (38:5) A PC (38:5) B PC (38:6) PC (40:4) PC (40:5) A PC (40:5) B PC (40:6) B PC (40:7) PC (40:8) PC (p-32:0) or PC (o-32:1) PC (p-34:0) or PC (o-34:1) PC (p-34:1) or PC (o-34:2) A PC (p-34:1) or PC (o-34:2) B PC (p-34:2) or PC (o-34:3) PC (p-36:3) or PC (o-36:4) PC (p-36:4) or PC (o-36:5) PC (p-38:3) or PC (o-38:4) PC (p-38:4) or PC (o-38:5) A PC (p-38:4) or PC (o-38:5) B PC (p-40:3) or PC (o-40:4) PC (p-40:4) or PC (o-40:5) PC (p-42:4) or PC (o-42:5) PE (34:2) PE (36:2) PE (36:3) PE (36:4) PE (38:2) PE (38:4) B PE (38:6) PE (p-34:2) or PE (o-34:3) PE (p-36:1) or PE (o-36:2) PE (p-36:2) or PE (o-36:3) PE (p-36:4) or PE (o-36:5) PE (p-38:4) or PE (o-38:5) PE (p-38:5) or PE (o-38:6) PE (p-38:6) or PE (o-38:7) PE (p-40:6) or PE (o-40:7) PI 38:4; PI(18:0/20:4); SM (d32:1) SM (d33:1) SM (d34:0) SM (d34:1) SM (d34:2) SM (d36:1) SM (d36:2) SM (d36:3) SM (d38:1) SM (d39:1) SM (d40:1) SM (d40:2) A SM (d40:2) B SM (d40:3) SM (d41:1) SM (d42:2) B METABOLITES_END #END