#METABOLOMICS WORKBENCH jfolz_20180924_095824 DATATRACK_ID:1514 STUDY_ID:ST001062 ANALYSIS_ID:AN001738 PROJECT_ID:PR000712 VERSION 1 CREATED_ON September 24, 2018, 3:41 pm #PROJECT PR:PROJECT_TITLE Nit1 Arabidopsis knockout PR:PROJECT_TYPE Untargeted Mass Spectrometry PR:PROJECT_SUMMARY Arabidopsis tissue with knockout of Nit1 gene analyzed for disruptions in PR:PROJECT_SUMMARY metabolism. Polar and non-polar metabolites were measured using HILIC PR:PROJECT_SUMMARY chromatography and C18 chromatography PR:INSTITUTE University of California, Davis PR:LABORATORY Oliver Fiehn PR:LAST_NAME Folz PR:FIRST_NAME Jacob PR:ADDRESS 451 Health Science Drive, Davis, CA 95616 PR:EMAIL jfolz@ucdavis.edu PR:PHONE 7155636311 PR:FUNDING_SOURCE MCB-1153491 PR:CONTRIBUTORS Thomas D. Niehaus, Jenelle Patterson, Danny C. Alexander, Jacob S. Folz, Michal PR:CONTRIBUTORS Pyc, Brian S. MacTavish, Robert T. Mullen, Oliver Fiehn, Steven D. Bruner, and PR:CONTRIBUTORS Andrew D. Hanson #STUDY ST:STUDY_TITLE Arabidopsis Nit1 knockout metabolomics ST:STUDY_SUMMARY Glutathione (GSH) is a tripeptide that is implicated in various crucial ST:STUDY_SUMMARY physiological processes including redox buffering and protection against heavy ST:STUDY_SUMMARY metal toxicity. GSH is abundant in plants, with reported intracellular ST:STUDY_SUMMARY concentrations typically in the 1-10 millimolar range. Various aminotransferases ST:STUDY_SUMMARY can inadvertently transaminate the amino group of the γ-glutamyl moiety of GSH ST:STUDY_SUMMARY to produce deaminated glutathione (dGSH), a metabolite damage product. It was ST:STUDY_SUMMARY recently reported that an amidase known as Nit1 participates in dGSH breakdown ST:STUDY_SUMMARY in mammals and yeast. Plants have a hitherto uncharacterized homolog of the Nit1 ST:STUDY_SUMMARY amidase. We show that recombinant Arabidopsis Nit1 (At4g08790) has efficient ST:STUDY_SUMMARY amidase activity towards dGSH. Ablating the Arabidopsis Nit1 gene causes a ST:STUDY_SUMMARY massive accumulation of dGSH and other marked changes to the metabolome. All ST:STUDY_SUMMARY plant Nit1 sequences examined had predicted plastidial targeting peptides with a ST:STUDY_SUMMARY potential second start codon whose use would eliminate the targeting peptide. In ST:STUDY_SUMMARY vitro transcription/translation assays show that both potential translation ST:STUDY_SUMMARY start codons were used and subcellular localization of GFP fusions confirmed ST:STUDY_SUMMARY both cytosolic and plastidial localization. Further, we show that Arabidopsis ST:STUDY_SUMMARY enzymes convert GSH to dGSH at a rate of 2.8 pmol min-1 mg-1 in vitro. Our data ST:STUDY_SUMMARY demonstrate that plants have a dGSH repair system that is directed to at least ST:STUDY_SUMMARY two subcellular compartments via the use of alternative translation start sites. ST:INSTITUTE University of California, Davis ST:LAST_NAME Folz ST:FIRST_NAME Jacob ST:ADDRESS 451 Health Sciences Dr., Davis, CA, 95616 ST:EMAIL jfolz@ucdavis.edu ST:PHONE 7155636311 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Arabidopsis thaliana SU:TAXONOMY_ID 3702 SU:AGE_OR_AGE_RANGE 3-4 weeks #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - A1_1 Genotype:Columbai-O_WT | Treatment:SoilGrown_4weeks | Tissue Type:Leaves SUBJECT_SAMPLE_FACTORS - A2_2 Genotype:Columbai-O_WT | Treatment:SoilGrown_4weeks | Tissue Type:Leaves SUBJECT_SAMPLE_FACTORS - A3_3 Genotype:Columbai-O_WT | Treatment:SoilGrown_4weeks | Tissue Type:Leaves SUBJECT_SAMPLE_FACTORS - A4_4 Genotype:Columbai-O_WT | Treatment:SoilGrown_4weeks | Tissue Type:Leaves SUBJECT_SAMPLE_FACTORS - A5_5 Genotype:Columbai-O_WT | Treatment:SoilGrown_4weeks | Tissue Type:Leaves SUBJECT_SAMPLE_FACTORS - A6_6 Genotype:Columbai-O_WT | Treatment:SoilGrown_4weeks | Tissue Type:Leaves SUBJECT_SAMPLE_FACTORS - B1_7 Genotype:SALK_108849C_KO | Treatment:SoilGrown_4weeks | Tissue Type:Leaves SUBJECT_SAMPLE_FACTORS - B2_8 Genotype:SALK_108849C_KO | Treatment:SoilGrown_4weeks | Tissue Type:Leaves SUBJECT_SAMPLE_FACTORS - B3_9 Genotype:SALK_108849C_KO | Treatment:SoilGrown_4weeks | Tissue Type:Leaves SUBJECT_SAMPLE_FACTORS - B4_10 Genotype:SALK_108849C_KO | Treatment:SoilGrown_4weeks | Tissue Type:Leaves SUBJECT_SAMPLE_FACTORS - B5_11 Genotype:SALK_108849C_KO | Treatment:SoilGrown_4weeks | Tissue Type:Leaves SUBJECT_SAMPLE_FACTORS - B6_12 Genotype:SALK_108849C_KO | Treatment:SoilGrown_4weeks | Tissue Type:Leaves SUBJECT_SAMPLE_FACTORS - C1_13 Genotype:Columbai-O_WT | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - C2_14 Genotype:Columbai-O_WT | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - C3_15 Genotype:Columbai-O_WT | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - C4_16 Genotype:Columbai-O_WT | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - C5_17 Genotype:Columbai-O_WT | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - C6_18 Genotype:Columbai-O_WT | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - D1_19 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - D2_20 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - D3_21 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - D4_22 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - D5_23 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - D6_24 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - E1_25 Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - E2_26 Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - E3_27 Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - E4_28 Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - E5_29 Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - F1_30 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - F2_31 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - F3_32 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - F4_33 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - F5_34 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - A1_35 Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - A2_36 Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - A3_37 Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - A4_38 Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - A5_39 Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - A6_40 Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - B1_41 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - B2_42 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - B3_43 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - B4_44 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - B5_45 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant SUBJECT_SAMPLE_FACTORS - B6_46 Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant #COLLECTION CO:COLLECTION_SUMMARY For metabolic analysis, samples were immediately frozen in liquid nitrogen, CO:COLLECTION_SUMMARY powdered, lyophilized, and stored at -80°C until analysis. CO:SAMPLE_TYPE Plant #TREATMENT TR:TREATMENT_SUMMARY Plants of either wild type or knockout genotype were grown on 1/2 MS media for TR:TREATMENT_SUMMARY 3-4 weeks, or grown on soil for 4 weeks. TR:PLANT_LIGHT_PERIOD 12:12h #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples (10 mg lyophilized plant tissue) were extracted using biphasic SP:SAMPLEPREP_SUMMARY extraction technique adapted from Matyash et al. 2008. In summary 225 µL LC-MS SP:SAMPLEPREP_SUMMARY grade methanol was added to lyophilized plant tissue in 2 mL Eppendorf tube, SP:SAMPLEPREP_SUMMARY vortexed for 10 seconds, followed by addition of 750 µL methyl tert-butyl ether SP:SAMPLEPREP_SUMMARY (MTBE). Each sample was then vortexed for 10 seconds, shook on orbital shaker at SP:SAMPLEPREP_SUMMARY maximum speed for six minutes, followed by addition of 188 µL LC-MS grade SP:SAMPLEPREP_SUMMARY water. Finally, each sample was vortexed for 10 seconds and centrifuged for 2 SP:SAMPLEPREP_SUMMARY minutes at 14,000 rpm. The resultant two-phase extract was aliquoted into four SP:SAMPLEPREP_SUMMARY clean 1.5 mL Eppendorf tubes. The result was two 350 µL aliquots of MTBE phase SP:SAMPLEPREP_SUMMARY (top), and two 110 µL aliquots of methanol/water phase (bottom). Extraction was SP:SAMPLEPREP_SUMMARY carried out at 4°C. All extract tubes were dried under vacuum and frozen at SP:SAMPLEPREP_SUMMARY -80°C until LC-MS/MS analysis. Lipidomics analysis followed methods of Cajka et SP:SAMPLEPREP_SUMMARY al. 2017. Briefly, extract from one aliquot of MTBE phase was resuspended in 110 SP:SAMPLEPREP_SUMMARY µL methanol/toluene (9:1, v/v), vortexed for 10 seconds, centrifuged for 2 SP:SAMPLEPREP_SUMMARY minutes at 14,000 rpm, transferred to HPLC vial, and stored at 4°C until SP:SAMPLEPREP_SUMMARY LC-MS/MS analysis. Gradient, internal standards, mobile phases, and data SP:SAMPLEPREP_SUMMARY collection methods were identical to Cajka et al. 2017. Sample injection volume SP:SAMPLEPREP_SUMMARY was 3 µL on a Waters Acquity UPLC CSH C18 column (100mm x 2.1mm, 1.7 μm SP:SAMPLEPREP_SUMMARY particle size). A Thermo Vanquish Focused UHPLC system coupled to Thermo Q SP:SAMPLEPREP_SUMMARY Exactive HF mass spectrometer was used for all untargeted analysis. Untargeted SP:SAMPLEPREP_SUMMARY polar metabolomics analysis followed methods of Niehaus et al. 2018. Briefly, SP:SAMPLEPREP_SUMMARY one aliquot of methanol/water phase extract was resuspended in 100 µL SP:SAMPLEPREP_SUMMARY acetonitrile/water (4:1 v/v) with internal standards including 5 µg/ml SP:SAMPLEPREP_SUMMARY Val-Tyr-Val. Analysis was carried out using Waters Acquity UPLC BEH Amide (150mm SP:SAMPLEPREP_SUMMARY x 2.1 mm id, 1.7 μm particle size) column with identical mobile phase, SP:SAMPLEPREP_SUMMARY gradient, injection volume, and data collection to Niehaus et al. 2018. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY CSH C18 lipidomics run. Positive mode. As in Cajka et al. 2017 "Validating CH:CHROMATOGRAPHY_SUMMARY Quantitative untargeted lipidomics across nine liquid CH:CHROMATOGRAPHY_SUMMARY chromatography-High-Resolution Mass spectrometry platforms" CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) CH:FLOW_GRADIENT : 0 min 15% (B); 0−2 min 30% (B); 2−2.5 min 48% (B); 2.5−11 min 82% (B); CH:FLOW_GRADIENT 11−11.5 min 99% (B); 11.5−12 min 99% (B); 12−12.1 min 15% (B); and CH:FLOW_GRADIENT 12.1−15 min 15% (B) CH:FLOW_RATE 0.6 mL/min CH:COLUMN_TEMPERATURE 65 CH:SOLVENT_A (A) 60:40 (v/v) acetonitrile:water with ammonium formate (10 mM) and formic acid CH:SOLVENT_A (0.1%) CH:SOLVENT_B (B) 90:10 (v/v) isopropanol:acetonitrile with ammonium formate (10 mM) and CH:SOLVENT_B formic acid (0.1%) CH:INTERNAL_STANDARD [LPE(17:1), LPC(17:0), PC(12:0/13:0), PE(17:0/17:0), PG(17:0/17:0), CH:INTERNAL_STANDARD d7-cholesterol, SM(d18:1/17:0), Cer(d18:1/17:0), sphingosine (d17:1), CH:INTERNAL_STANDARD DG(12:0/12:0/0:0), DG(18:1/2:0/0:0), and d5-TG- (17:0/17:1/17:0)] CH:SAMPLE_INJECTION 3uL CH:WASHING_BUFFER IPA CH:TARGET_SAMPLE_TEMPERATURE 4 #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Fiehn Lab AN:OPERATOR_NAME Jacob Folz AN:DETECTOR_TYPE Orbitrap AN:ACQUISITION_DATE 04_19_2018 AN:DATA_FORMAT Data Dependent Acquisition #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:ACQUISITION_DATE 04_19_2018 MS:COLLISION_ENERGY NCE 20.30.40 MS:IONIZATION Positive MS:SCAN_RANGE_MOVERZ 120-1200 MS:SCANNING_CYCLE Top 4 ions selected for MS/MS #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AU MS_METABOLITE_DATA_START Samples A1_1 A2_2 A3_3 A4_4 A5_5 A6_6 B1_7 B2_8 B3_9 B4_10 B5_11 B6_12 C1_13 C2_14 C3_15 C4_16 C5_17 C6_18 D1_19 D2_20 D3_21 D4_22 D5_23 D6_24 E1_25 E2_26 E3_27 E4_28 E5_29 F1_30 F2_31 F3_32 F4_33 F5_34 A1_35 A2_36 A3_37 A4_38 A5_39 A6_40 B1_41 B2_42 B3_43 B4_44 B5_45 B6_46 Factors Genotype:Columbai-O_WT | Treatment:SoilGrown_4weeks | Tissue Type:Leaves Genotype:Columbai-O_WT | Treatment:SoilGrown_4weeks | Tissue Type:Leaves Genotype:Columbai-O_WT | Treatment:SoilGrown_4weeks | Tissue Type:Leaves Genotype:Columbai-O_WT | Treatment:SoilGrown_4weeks | Tissue Type:Leaves Genotype:Columbai-O_WT | Treatment:SoilGrown_4weeks | Tissue Type:Leaves Genotype:Columbai-O_WT | Treatment:SoilGrown_4weeks | Tissue Type:Leaves Genotype:SALK_108849C_KO | Treatment:SoilGrown_4weeks | Tissue Type:Leaves Genotype:SALK_108849C_KO | Treatment:SoilGrown_4weeks | Tissue Type:Leaves Genotype:SALK_108849C_KO | Treatment:SoilGrown_4weeks | Tissue Type:Leaves Genotype:SALK_108849C_KO | Treatment:SoilGrown_4weeks | Tissue Type:Leaves Genotype:SALK_108849C_KO | Treatment:SoilGrown_4weeks | Tissue Type:Leaves Genotype:SALK_108849C_KO | Treatment:SoilGrown_4weeks | Tissue Type:Leaves Genotype:Columbai-O_WT | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_4weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:Columbai-O_WT | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant Genotype:SALK_108849C_KO | Treatment:1/2MS-media_3weeks | Tissue Type:Whole Plant AC(14:2) 1236159 933097 1058629 535416 1539612 179820 405625 779665 416120 891695 182693 1038681 1467541 1869242 2196340 1103980 1260722 2530302 1368983 818974 1388495 1504227 2417347 1199269 991630 3158979 568477 649404 1543602 5006658 583127 2608223 638001 1071043 2610278 1102118 1782858 1323769 2688203 1845817 2174312 3782601 2080907 1666811 1254814 612070 AcylGlcADG 50:2; AcylGlcADG 16:0-18:2-16:0; 10668 10120 10580 10548 9866 9879 18562 11939 9781 9782 10072 10602 1652132 1528221 1832895 1786991 1677045 1644287 63081 45227 126312 114549 9886 78280 499238 134713 458424 415434 325533 515868 561037 624555 699326 661444 608007 650910 77263 225652 1008281 832839 1058225 821381 817114 795152 611147 89548 AcylGlcADG 50:3; AcylGlcADG 16:0-18:3-16:0; 10668 10120 10580 10548 9866 9879 9661 11939 9781 9782 10072 10602 1978244 1782802 1919220 2221805 2217016 2022871 146704 136712 168740 189192 98949 219012 411022 404418 341669 341476 414921 915767 657880 891348 941111 816479 636074 364011 217734 269741 1838816 2175001 964330 871557 850529 1007798 596579 263400 CE(18:2) 59035 101109 64704 85202 78535 97970 116955 128806 92572 224605 107715 156348 810816 926658 870673 921392 765181 670276 1144034 1126506 1332312 1522107 1161085 1075323 587447 633615 549029 509433 454442 595293 459615 628306 569916 479908 353199 400079 463406 365932 1030182 878499 448842 433406 324857 507566 577266 620912 CE(18:3) 205031 165712 146724 199333 191783 253249 264448 166782 298083 349491 314955 225920 1570181 1630756 1802594 1798597 1712799 1900641 2507216 2553535 2447079 2722476 2432522 1782244 872861 1021600 1030166 1038920 779960 1275776 1083874 1121198 1197672 964592 557388 668015 539366 635264 1327178 1344652 831907 771579 1083450 713245 578745 862766 CE(20:2) 5637202 4697897 6301169 5553186 5953487 5893293 10447822 8907650 8024112 9832916 10775300 8892313 130009858 124524907 146344075 138233880 151558758 163592226 199226363 179216464 192147684 189429787 215524274 177710383 88161422 109199028 91684581 102703498 83798190 83778659 84316768 107855515 131562737 128598336 55253432 48721985 60315159 50334063 98277455 110550322 77551035 65209114 72331747 78753144 90460432 67549771 CE(20:3) 7714059 7368730 8002659 7487111 8560839 8889995 11258959 9753273 11683459 12435983 10350450 11168442 292247364 276456502 276280758 239145228 245541483 242299283 328952867 460615455 310238952 273346868 333098341 313738898 171934983 140595753 139337903 140482613 141529480 156742366 142399312 189535275 172709244 172352050 73460887 57768267 65922835 82007900 184692293 163537307 138905338 96206114 112976273 98504836 106485801 97090904 Cer(d42:2) 371049 672101 526348 440324 337194 494599 537513 479096 686894 455401 548971 556022 740903 703295 773000 654313 736499 784536 785717 788852 756027 840793 675400 565314 643051 675316 673146 657090 616877 717349 668641 948070 984284 779877 519611 431168 492750 512292 487028 468865 704070 609462 493686 657738 634354 534926 Cer-NDS d34:0; Cer-NDS d18:0_16:0; 883678 874036 887729 675234 868715 732185 718894 606834 618926 766345 818597 824560 3007701 2943822 3360571 3400871 3295215 2460205 1641969 2116483 1608559 1578342 1945672 1673476 2160472 2209569 2105136 1778784 2062834 1923892 1962599 1976071 1914683 2714040 1346737 1577460 1591042 1547325 1359848 1490218 1923821 1466918 1110962 1396357 1236564 1203931 DAG 32:3; DAG 16:0-16:3; 3762738 3087992 3813780 3009065 2632996 3064068 3113230 3267484 3319746 3506411 3252071 3963161 3034001 3625357 2844021 3025801 2388798 3278691 3615370 3273959 3553525 3298827 3573446 3493782 1706491 2168808 1464897 1384937 1553819 1352347 1126381 1555795 1611962 1370892 2287956 1862177 2387559 1879837 3163355 3106054 2717282 3967255 2562370 2930289 2381736 2199165 DAG 33:3; DAG 15:0-18:3; 1326156 1275669 1110831 876450 1146490 1058947 1036029 1201447 1203473 1226369 1365999 1108068 1848627 1743561 2017894 1896455 1776544 2039981 1347483 1644253 1867335 1504668 1522091 1443269 1168954 1020019 969674 858871 833355 793260 759758 909325 1079371 766680 1658808 2036650 886132 1040718 2071970 1938297 1656378 1867725 1575261 1670731 1796206 759955 DAG 34:0; DAG 16:0-18:0; 29987558 28637297 21188332 25798538 19551097 27782837 37314808 37087318 21395074 25550089 21515765 32753922 29984125 27847663 27915540 30616303 25690817 34693251 32210744 35147673 39406456 25943049 38650889 28378477 18302650 31552521 20978322 30075206 28720604 35198043 22815775 33286271 32259078 34959283 26178761 26788022 26992788 19191142 24530603 27415130 23302611 36367082 23861782 29173809 30894824 24460390 DAG 34:3; DAG 16:0-18:3; 130350383 141622934 142647407 122045490 107814395 131603260 144419304 131831871 131792028 140815644 129339842 97550326 138428835 94370786 137275438 139040312 113833903 143676306 148631630 157421134 143232609 150928858 159698477 144989824 54097643 68440801 50951003 43484207 49464180 49976941 50395803 51299110 61466290 61731366 92098546 82736956 93659743 73167067 116089750 112213943 137439170 129192994 110330145 134101473 109613384 83004156 DAG 34:4; DAG 16:1-18:3; 5138044 5704466 6129365 4333103 4641203 5868671 5373582 5358142 4811808 4708867 4946587 4834699 3214116 3574876 3212994 3231401 2875036 3515252 3345492 4010531 3730130 3915727 3917129 3222955 2552959 2611723 1970861 1983412 2071465 2144146 1975651 2337871 3129831 2128236 3660719 3162756 4525999 3972530 6531210 6782408 4978522 5157375 3791162 3849983 3623274 3948884 DAG 34:6; DAG 16:3-18:3; 6521213 6213221 6143965 4924277 4928733 8185046 5999739 7321769 6121895 8002224 7070191 6689941 16940788 17711558 22137801 15038951 14109095 12562244 7534237 9690628 7885412 7770179 5981874 6135969 12757405 12843497 12030012 12434751 11213700 9653535 8627775 10557576 9182975 8353564 5277135 6040957 7866314 6495945 5342878 8289949 4968479 5477989 4393355 5082093 4663004 7851025 DAG 38:0; DAG 18:0-20:0; 723839 489376 957891 684286 477052 728955 1001804 951762 623557 941421 666664 732226 623559 1047502 742748 876859 866885 1163157 1087407 1126757 1899762 805948 1192586 1069905 786462 1444269 659645 1126293 1027866 1041139 1090437 1332283 963089 1224211 719074 741588 1007885 839136 1093669 1267131 880102 1341888 1177289 806098 663266 883100 DAG 38:3; DAG 20:1-18:2; 452133 524827 695744 413273 523860 511279 397329 526135 498352 441419 361131 559754 1756687 1885117 2202637 2422488 2198865 2015461 74285 49379 25061 28777 169397 10678 3993705 4333726 4416721 4477900 6254486 147021 146732 252590 204423 457351 3588554 3137593 582037 1205536 238505 307906 226032 216272 199364 257958 205244 187261 DAG 38:4; DAG 20:1-18:3; 580429 452424 464980 484397 461386 577667 526882 533061 788453 428477 488257 493316 1148626 1903151 1338948 1730514 1155893 1421918 153621 252267 173810 165463 244367 157118 2862742 2143801 2646342 2667060 4821059 182399 172273 167672 159314 224441 2485677 1424051 892839 921610 319574 792664 604894 233138 469905 576872 395556 685747 DG(32:1) 317795 281093 257336 394865 253975 435126 206798 251177 283314 210983 315695 188862 282540 235084 252379 346317 274245 370307 477691 415343 336415 221887 249338 290909 131404 214706 184735 150935 184490 210176 163565 163821 224724 204591 329101 444822 278913 326937 343992 452324 385675 412219 337478 375963 399480 225626 DG(34:1) 19064718 14004395 19448349 17682319 16505090 15917477 16259058 16619316 16529093 15890726 16883196 14121786 6696599 6946664 8037405 7730564 6713442 8456654 6461363 5362749 5586585 5758540 5858304 6889555 7425588 7235949 5785199 7167581 5995964 4558570 5629462 5919059 5420741 8359695 14076586 12936181 8959934 11680864 9044572 9670073 10476287 9110858 9648235 8851903 10389843 11329757 DG(34:2) 175429351 197754042 198626028 180159535 144087668 170150328 174332212 183598332 190461801 156415957 169648733 172839543 201566237 161901770 177161067 140699470 151504167 201407838 169109740 145358089 197910286 158884040 140013995 125275176 79029870 99218651 108244819 84077612 71574147 86126704 77523779 109377042 119690431 97326025 220242683 153493475 208696823 138029819 161127671 182980755 176824599 206888191 172792631 183049425 158588741 169615565 DG(36:1) 787459 720992 1059289 762216 754852 987790 849461 981572 930916 729938 813699 694142 542998 518700 612124 534126 524977 716011 337358 349373 339049 370731 468934 333121 837458 882201 666714 698233 956102 317624 280024 300861 330958 324450 831767 756119 672976 556907 337832 333945 541482 430425 414525 505722 470497 473912 DG(36:2) 3097230 2420618 2941686 3001871 2780022 2829053 2490827 2197997 2461431 2675300 2481878 2220090 6811652 8705991 11850262 7791157 7074972 6678602 8487619 8046147 8353969 7178031 9018087 7372129 5191200 6199553 5466637 5838962 1837274 5337073 5017619 6430011 6373698 5913140 2100235 2310543 2079353 2295354 1754306 1833519 9657480 10418434 1986445 1959355 1591998 7398417 DG(36:3) 28352935 24963809 25274211 23113402 22809185 23748160 26580786 26317900 21265516 23404994 27114370 24238666 7345043 10619829 12107723 11249048 10751498 12225138 8023172 6698980 6974131 8028158 7909729 8430694 12624038 10850060 11096398 11815743 13453201 9968835 6358425 7930352 8752937 8090959 22626300 19219968 19596651 18231972 14590941 13944941 14957109 15069923 12958869 15538695 14379056 13475354 DG(36:4) 61704493 57988607 63140389 53520255 51580979 56175442 57867997 52692432 61049146 57763151 56148169 41422599 32042366 30962798 38407000 40829398 32771072 45659539 31750668 27901075 28813823 27549200 28207910 33803612 24937758 27198094 23194346 22711020 26114557 23648511 20928794 24861812 27720753 26368245 40949686 44257452 55979613 54961843 78618327 72513530 57021049 51525433 43769837 53398137 51763494 48204952 DG(36:5) 108616020 97113971 90789233 110861754 86600798 108082620 99234836 106603911 93562019 113872424 101081378 107495986 61904755 68118054 81379918 83701954 83501249 85719766 83612575 84070290 96570383 72097044 79830731 69520550 37706522 38750761 37606556 38703813 37209957 39217608 41089663 43060499 44881365 44077447 66825330 79106633 76907163 60033857 152226970 119412211 73718145 68250964 66079788 88888878 68746785 67513697 DGDG 32:3; DGDG 16:0-16:3; 1469588 2044825 1588762 1695095 1406841 1413388 1713294 1432368 1679786 1614572 1686279 1329354 4865801 3745740 4969092 4459348 5255878 4396465 4145116 5582906 3388108 4085908 3142628 3589377 2855041 3547240 3587281 2615131 2621105 3813799 3392217 2969650 5543144 4371304 1580580 1566779 2985265 2865675 2677900 3472733 3089172 2393576 2490696 2392859 2945090 3091209 DGDG 34:2; DGDG 16:0-18:2; 107358332 97846804 110639304 79797409 94957857 96201280 129835019 105197434 130714287 127016922 111313839 121979464 141451482 140890425 145711609 166879883 126723773 143214745 103025670 105494340 116045241 127419383 103813710 102250750 101082820 118007302 121127484 110495018 111873787 122672366 115342469 120244109 139538562 113916922 116114717 79154137 178361269 145847263 135761216 125724236 113684615 96750706 102226576 110199366 131795051 159236356 DGDG 34:3; DGDG 16:0-18:3; 238935489 198184671 260922295 366679736 241953425 236880273 244136097 235890400 196182260 207688922 260263122 305672123 320062020 269867361 259954794 248783528 246943628 244707667 234877172 219735694 209446179 214023358 271336239 252795752 189047333 203889499 200045819 220106647 200523358 225584192 240294092 208285189 211316270 214479858 177318925 198132462 224715160 214988578 269761652 232024662 197470370 255035077 198182582 173667116 216296404 235862172 DGDG 34:4; DGDG 16:2-18:2; 17674034 22704654 18939551 17629243 18738806 15755073 16653406 18896224 21958325 18662788 19791092 18672389 24145144 16281743 24319360 19925384 26409404 19483379 20680851 27375348 16253703 22171560 17905732 17625280 20605891 21180750 24460724 19681292 19878833 21581898 22359733 26423368 34747361 28845843 14742841 16536549 24466039 26325047 19641344 22583395 23245971 16628351 20396897 21374478 22981949 24747237 DGDG 34:5; DGDG 16:2-18:3; 54423742 51205396 40719656 45846143 46751814 42536263 47783128 50688837 42508908 47482880 43669898 47673787 35241796 40014327 38034137 34776023 29581365 40560259 54167527 44354463 29653788 39103415 40345092 36673591 50550328 50369333 46837466 40775863 39243742 48019922 46289166 43115806 41247131 62371724 49364251 45389746 51254437 37523006 49550975 57874326 53173090 58493493 43284571 52163915 44425735 40690563 DGDG 34:6; DGDG 16:3-18:3; 198475712 291079079 231298322 280251617 265569634 254257073 347427728 229085453 263546342 211834420 222006490 229172595 166074732 168519348 153413829 200943096 143409991 160170057 148855063 131463899 122177682 140152956 140676678 137891325 160438353 176169783 199800488 142288238 144064659 175292544 195636978 164031813 161058655 157882006 122140756 139384154 168707964 183186663 170945746 198409964 188575934 168828220 126120246 172960851 161314807 160149999 DGDG 35:3; DGDG 17:0-18:3; 4543344 4805818 4639479 4946997 4575265 4281674 5341107 5263938 4836750 5653396 5463589 4438963 4424719 4961010 6345576 6717481 6710003 5079821 5545986 4663236 4875175 6330130 5352175 4844218 4516508 4267573 4822530 5030817 4260593 5555407 6124609 5015696 4827300 7324646 4371743 3843664 8190787 6693316 6286406 5271596 4801563 3986071 3685446 3688557 4210428 4942806 DGDG 35:6; DGDG 17:2-18:4; 3365126 2820115 3676501 3885754 3004613 3556209 3916841 2635824 2476221 3406627 3300733 3122815 4714442 4873194 5290275 4675461 5787264 4569254 3565626 3367030 2959600 3214726 3501445 3539548 3049487 4059211 2895662 4017235 3013615 2470822 3087711 3992707 3236346 3208834 3530412 2523377 3551836 3707507 5249624 4423530 3817443 2763392 2671518 3759934 3124416 4392370 DGDG 36:3; DGDG 18:0-18:3; 30471046 28474153 32582721 33196352 34169668 28321796 29035112 22933142 29107556 28012259 31027103 33520635 51184667 53008563 54007889 61535942 58746436 45348943 43509070 46390151 36431282 51234668 48434594 49578267 34125739 36259561 41954083 41221610 29331228 36796098 40330497 43339216 47902764 43707820 28052054 32477510 39881792 47331393 48227167 46336538 37320806 35480642 27443362 26472429 30187783 34011381 DGDG 36:3; DGDG 18:1-18:2; 4034540 4429253 3619514 4596408 3533170 3311300 4110166 2889094 3166513 4362168 3580627 3378642 10592760 8589624 10716970 11552169 10065790 10599210 4010656 3687594 4082470 3286911 3284830 3929356 4525132 4860945 4365510 5442898 4389107 6552985 5382873 7025218 5909703 6341732 3610681 2889299 3791107 4739724 4476863 4970199 4288535 4174534 4459319 4884438 4885411 5860022 DGDG 36:4; DGDG 18:1-18:3; 29598089 28899018 28239477 26491405 30171251 26916094 35766909 27971901 22422531 30738522 28761416 30253352 53586525 43581229 62068615 47111197 59232020 57513214 34452932 30060862 30455664 35549818 34184691 46046580 34907005 32156427 36618034 35867774 26708390 38182090 41459461 49082096 41472596 37739812 25737608 31761519 39169174 31471250 30604230 35900154 45347305 26218775 33624131 33063948 26777093 43613969 DGDG 36:5; DGDG 18:2-18:3; 81962189 95228118 86379048 91160403 81828334 86337017 76815991 110046937 70875689 94114020 87863096 98130970 186705621 161710690 217456167 230045868 215401132 178046974 118543616 141144608 155823170 162928098 162140104 158031804 155988579 156898266 124795066 179512917 132982914 185374491 176084143 173995571 156319579 133106475 119865957 126600273 165461553 149021137 136295355 132906040 145345675 138416578 129604315 124957157 190256909 144605674 DGDG 38:5; DGDG 20:2-18:3; 5243437 4226280 5588668 4777643 4538133 4090318 5844276 4885836 4363508 4076544 4478847 4046436 4330081 4732834 4437986 5385710 4976145 4102104 3526180 4309415 4428755 4653035 4777458 3508388 7882802 6143806 7610805 7446802 7035188 7381883 6395906 8789029 8931683 6410492 5422700 6145817 6601787 6806954 4921703 4756916 5870100 7572305 5440451 5561191 5925730 6846132 GlcADG 34:3; GlcADG 16:0-18:3; 1288137 1428521 1701512 1411146 1290409 1984621 1355989 1118978 1453140 1238756 1511276 1385049 7867381 10534156 11206513 8955359 6887289 8231455 3841222 2714687 3437308 2985190 2381608 2456664 2605454 3289409 2307054 2803659 2939196 3523206 3685349 4004202 4561781 4461013 1994113 2322838 3168879 2301729 7843421 7753392 2961783 3182418 2752923 3272738 3305772 2298583 GlcADG 36:5; GlcADG 18:2-18:3; 407832 358382 389273 420942 121663 264062 439923 400448 485219 138401 224818 233887 3063379 2664517 2459685 2643826 3843170 2994256 743409 924619 857581 793920 699303 626281 930762 840900 797512 727267 637994 1319948 1150814 1379866 1286059 1071440 774761 662692 683793 650766 1993943 1763597 1197748 1408057 951424 883854 978148 634009 LPC(16:0) 2700714 2523371 2199329 2216601 2375630 2372617 2030957 1911369 2352353 3115449 2552385 2857429 3124520 2874530 3505430 3738414 3383911 3223778 2839835 2715624 2264717 2398679 2595595 2412683 5092836 4621859 5468256 4226040 4207899 4717104 4702071 4452996 4877639 4212712 4066169 4479932 6727265 5603464 2663937 2993786 3975729 3163123 3760010 4557338 3690521 5319753 LPC(18:1) 338467 289155 268501 283582 281424 309204 293227 267317 295129 392058 311945 352953 316431 346401 350940 317931 284599 318106 268593 237854 210445 255697 210317 252541 527778 502968 661632 629217 592796 482283 444112 582884 544464 494623 543722 714269 779900 673581 325060 342953 411084 365211 432231 438664 419983 683559 LPC(18:2) 2085631 2230137 1924797 1841009 1995162 1954377 2191958 1486857 2122328 2322400 2230933 1984410 2227024 1987033 2438473 2485812 2102563 2084824 1721649 2108029 1567308 1840474 1715178 2149711 3837291 3493683 3613546 3636805 3489826 3160934 3511086 4130117 3892493 3708051 3416246 3498252 5412860 5032043 2340115 2376782 3228624 2547344 2940564 2900196 2898469 5058553 LPC(18:3) 961522 808276 996052 591300 962916 1093630 906554 763018 868937 1063416 857316 913303 860043 886272 882544 1070440 802833 857498 748163 1050866 685164 862224 855803 835341 1446982 964145 1050697 1286838 1195796 1177499 1113575 1584255 1786847 1358790 1161338 1049628 1866594 1473241 720209 964402 1178386 722773 1039168 1068973 891142 1529200 MGDG 32:5; MGDG 16:2-16:3; 10644329 8798135 11172671 7956858 8434850 9603206 11717276 8366066 10278590 13664344 10409946 9298938 18151864 24270818 20489395 21420549 22705170 27667888 22411532 24307722 25106213 30757070 21173368 19515775 20075982 17587935 25710738 25293867 21442616 22485737 27723482 26443138 27574920 25237327 13267821 15671120 15906307 13746006 16791673 17382803 19059488 17356656 18736219 23560989 24243220 18387094 MGDG 32:6; MGDG 16:3-16:3; 22313804 22648687 27912540 20966036 23108005 29285174 21144647 32334099 21513027 25908637 19717482 22341595 21939104 21749647 26042844 20596243 27082427 19799597 23719258 21086865 21821408 24893661 22663558 21590720 24727073 18722681 21376926 22678535 22570977 18812572 21829752 22462005 21702854 20443833 17372918 20195467 19736477 21527639 21331803 23564519 19007025 17494614 20871138 20063091 18829419 20227008 MGDG 33:5; MGDG 17:2-16:3; 1650796 1514153 1450912 1326080 1667784 1296917 1768427 1967007 1659808 1477061 1323551 1406617 4556797 4147179 4476946 4581092 5356434 4354611 3928747 4442183 4264265 4774581 5085286 4783029 4378900 4788711 3786968 3746756 4098741 4618540 4676502 4582264 4099172 4538313 2641146 2867380 2529615 2966050 3157430 3294886 3301451 2679447 3505483 2786743 2926309 2816922 MGDG 33:6; MGDG 17:2-16:4; 11584409 9531189 8309549 6441314 8938153 9818194 9622181 10924532 7837464 9476808 9007274 8724548 10706519 11666310 11708879 10659755 10425304 14181473 18118655 14428597 12113642 12626870 13455584 12367833 10122576 10349826 13592768 10312134 9742011 11441808 13948928 15650662 10333056 12803246 9034913 8959541 11340330 11062197 14941704 13802673 10766087 10949670 13216646 8570606 11124042 12117013 MGDG 36:6; MGDG 18:3-18:3; 6467976 8677102 7377094 3802990 8646538 8519192 6896777 5093383 6052917 11204373 3908398 3920445 7340229 5829202 4978721 7822524 5816884 4818610 7877316 8200111 7317133 8786048 11000798 7316446 8410580 4579086 5444748 5042635 7278327 8136257 6936384 9868863 8637626 6612299 7742503 5358740 7634308 4797520 3755793 9519846 7334101 5155807 10481295 6702097 3921118 5225199 MGDG 36:7; MGDG 18:3-18:4; 3402599 3440002 3902322 3192482 4974416 3134206 3302859 3398082 2691422 3242220 2614333 3226117 5867936 4731727 5868612 4987493 6015493 5190248 5680099 5585519 5117700 5381865 5802723 5903400 3339263 3755656 3637586 3211544 3381647 3912701 4655261 4454002 3946614 4320043 2382385 4421187 3955015 3321964 4436814 4532923 4173650 2854656 2869422 3205962 3080901 4619847 MGDG 37:5; MGDG 19:2-18:3; 6828430 4478266 4553738 3633964 3767370 2930636 3698162 4292918 3803606 3687777 4227536 3568663 2939671 3595297 2871806 2967748 3190550 3114658 4348620 4030807 3649466 3979047 4103551 3607973 3354754 3357359 2634162 3036365 2507102 2939215 3048378 3330932 3435900 3390386 3442579 3072536 4254586 4422314 4960780 4160324 3517982 3287779 2485056 2917883 3030927 3574451 MGDG 38:4; MGDG 20:1-18:3; 2497511 1939699 2074434 1816167 2127161 2182648 2094254 1823182 1687301 1842628 1536812 1618583 979921 940627 1269697 1044033 777967 814377 978170 1020049 1010198 995344 824421 752139 1015896 1139057 1059217 1275196 1040523 1061167 1185127 1178744 1130379 927101 1247522 1193826 1726376 1670136 1494038 1600460 1255756 895162 1208767 1068244 1190456 1310834 MGDG 38:5; MGDG 20:2-18:3; 6760122 5823934 7202428 4686333 6068470 5770824 6078041 6237180 5803176 5508878 6423044 5220074 4597256 3469533 4296293 4761397 5194534 4236053 5915123 4451905 3926829 4980966 5389476 4040959 4507298 5943597 6414062 5760456 3508472 4657898 5887147 5444640 6279495 5837901 5249765 4898002 8321804 7223986 5955028 5083041 5695099 4558876 4501790 4645214 4672994 6387597 MGDG 38:6; MGDG 18:3-20:3; 18224900 18971285 17757935 19035691 17705937 17641031 14557632 18018951 18650053 15987970 13459376 15116091 10621385 9733766 9455672 9360705 10772537 9339669 13861772 15517669 9791622 11966050 12081881 14796913 13419785 13768634 18894387 17166286 12747069 13962347 11983369 13413300 15488993 14715307 17066624 11515401 19225196 17074785 12140230 12499391 11855503 12792461 12560368 11715144 10176079 13905242 PC (16:0/9:0(CHO)) 1764103 1156257 1354078 966154 1198971 1001402 792675 817978 790396 982571 857938 911439 725502 509176 692940 567614 547875 624414 804463 723238 409781 547468 808398 573482 453082 400607 374378 671065 553748 703879 707481 689426 1051357 590391 417157 643702 754988 676087 742600 939237 807028 445719 660086 537306 871928 463253 PC (30:0) 612531 438750 551444 436867 419473 367427 569968 512995 499881 505653 555965 590682 1150680 1146863 1052943 1170071 1110918 1149068 1104175 1047006 1144211 1149590 1055022 853577 1509104 1322244 1512058 1361938 1261967 1339622 1376392 1568900 1510772 1070871 1948563 1720417 894343 991005 1134328 1020248 1578747 2399029 1508844 1707379 1764885 871706 PC (31:0) 125659 10120 61295 41203 69905 70699 118608 68142 93232 33539 46527 100458 844387 584584 558926 868684 678780 624421 755857 975331 660490 576281 630997 780670 931791 820277 775073 820553 624886 802287 737108 1088776 822085 972322 836646 837717 303837 470120 462978 284556 1194840 938194 895801 939692 1093706 394997 PC (32:0) 8158213 7512197 7985336 8324066 7475376 6707074 8228804 7971584 7787769 8612734 9238227 9961432 16429998 13382012 19979846 17156225 14201206 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13032197 12702187 16506789 9365904 11769978 10685360 11397627 10706779 12792957 14073515 11060002 PC (33:2) 37956831 32459513 35664708 42320546 40892351 40152342 43651377 35951615 34156380 39119346 46772897 35075957 61514426 71807437 71344501 78440001 70887987 87926922 56144491 69388443 71435302 76851432 69596150 69498724 88349374 69738392 85860585 78982248 62980642 76515847 75509769 99559888 63944727 72745865 96840272 109260905 72812929 65593626 69591055 89388864 101887615 79139828 93546865 94449559 107229708 64346474 PC (34:0) 863490 867025 984691 692203 874962 807799 1097515 1086903 953570 1351475 1070750 945279 1597097 1821115 1579342 1809071 2038812 1723046 2888024 2443147 2382650 2631822 2259472 2446755 2929328 2524665 2353686 2490958 2319744 2507330 3065331 3378318 2829694 2982251 1900594 2044463 1961704 2214962 1149371 1109834 2206690 1838260 1580750 2095353 1998315 2589948 PC (34:1) 822042987 539467463 719540040 600007836 639939727 728450089 547924550 586115145 549226474 566028286 635417544 612550571 387592110 476110157 559558753 495228303 452248691 482206057 402009980 494895616 405262935 379084692 413467764 413189063 586105401 586094556 516891484 758952308 605871406 478474408 501460767 580589656 554221314 562693137 597207344 544643680 682285519 647649187 404984156 404851129 435835024 573449872 453808912 552075606 572897253 498604128 PC (34:2) 2186113920 2402075601 2137828944 2101462637 2118596979 2349035464 2256466380 2072590663 2552589626 2104141168 2810630447 2244328046 2019745417 2076254715 2140154093 2104903114 2352849934 2105938617 1971923797 2263751623 2202858306 2250435713 2336366741 2274103516 2099192368 1989070539 2562508411 1813386075 2011232298 2138922411 2182604013 2392864207 2390072938 2791530953 2172341712 2314074641 2201960901 2310831893 2390179476 2314409329 2292822171 2207210697 2633883469 2415911320 2410008333 2271230123 PC (34:4) 18826704 15241051 19862478 18829244 17667938 18507829 11829414 14982272 13476069 21044818 12800660 15705587 23108553 16994787 22973161 22111428 24058747 17584409 26445025 22387061 29558126 23707953 25465389 24858920 22610168 18616623 18003391 19466125 19973617 20761928 20645737 19016313 19865441 19108475 16697856 13607627 16769895 18568816 17203260 17259796 20391730 17958268 16831327 21861949 16781754 24020446 PC (35:1) 6096007 5445330 6214321 5260597 4929557 4753562 5526990 5028379 4819999 6561843 6146606 5553440 7032219 6421592 8418166 6956009 5547614 6495407 6418888 9177198 7071727 7115184 5914682 6771944 9146723 8385035 7008239 10116247 10962415 8771579 9964716 10613894 10364608 9001833 8503358 9823039 9551327 7544993 6102981 6207961 8316167 6509565 5527575 8414966 9619820 6802772 PC (35:2) 24686393 28980284 37778799 26311375 26481494 30921591 29021761 22779488 27332114 26236035 29940429 33637935 51209927 58131348 48657999 57215871 40601403 53442683 48079676 45227290 43597963 34603221 51356791 38021961 47713864 70004188 40804240 39180238 50304347 44893107 61621580 42952040 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1688772744 PC (36:5) 2865961743 2916628976 2396161373 2963159250 3196950572 2864686747 2642750445 3143410757 2641896959 2625934172 2619724348 2723259023 2226221313 2660741266 2498299073 2029923675 2322739986 2371227724 2578068086 2143074073 3087009082 2404727485 2920592748 2616212506 2226119363 2409530329 2375923803 2202163191 1698111180 3051226188 2511405516 2478421479 2325982906 2061092276 2445831607 2980204005 2667506886 2678868659 2721645173 2648746731 2953574445 2701949616 2414509332 2753120118 2562798318 2572386070 PC (37:3) 13790300 17070151 18429423 12007535 13202115 17212519 15049739 14569755 14615856 14128375 18101525 15654997 18913219 20505503 20617460 17742408 17528538 19989821 19746107 23938035 23115864 25045843 22159498 19681146 26927536 25590320 23902785 26738528 18965673 25640620 19907587 26521272 35373300 28487967 22710399 19374895 31075143 24114072 20029876 23070794 30400640 25943948 23292845 22453574 20307976 28935518 PC (38:2) 3539825 3891238 3225408 5032636 3633962 4132124 4106258 3462053 3454901 3302311 4197487 3091920 4193045 5085603 3605641 5049770 4915189 5760938 5203466 5101496 4354744 3701564 5320550 3699286 4453021 5315467 7449445 5917792 5371167 7182095 6374260 8436571 6674701 6171951 7021061 7358091 7055774 7143587 3195073 4097647 5847499 5898717 6024772 5416513 6011696 5472202 PC (38:4) 32097701 34531651 37122259 34611518 39685133 37494394 35107422 26616647 30677223 33252309 35170482 33019572 15555354 14211040 15346762 16189004 19739387 14741518 14342887 14262609 13120245 17997217 16619213 16387412 15194450 18182460 21926701 18870540 41823213 15732301 18647566 41170317 23923497 21896749 21775904 21944134 23961699 95246786 18470183 20389521 23677411 20535323 16298363 15558039 17800167 61860125 PC (p-40:1) or PC (o-40:2) 280825 309490 274888 311072 296947 366273 317388 290376 257529 359979 238694 242769 439799 418394 370429 425886 280517 254018 321806 366180 343772 473903 325196 360531 296905 168765 228295 309141 290452 368836 254846 356622 362030 303181 210806 274741 314178 251888 272183 340408 303190 314789 325838 354782 288695 223829 PC 18:0e; PC 14:0e_4:0; 425312 366338 471213 361392 324878 369256 439150 370857 439161 499623 367562 391391 806761 881970 871961 787293 1003492 820894 585594 629266 571617 556378 483425 624090 1174738 1521927 1438446 1055254 1104092 1107012 1359451 1243325 1183451 1218289 920392 819023 1083597 1009230 573491 507861 865410 709664 747861 877263 841152 944421 PC 18:2e; PC 16:2e_2:0; 2567195 1864870 2163690 2049366 2222725 2945088 2322808 1867166 2643167 2815181 2546761 2733704 1820166 1722579 2072812 1821378 1924162 1692299 1653205 1812879 1510315 1767747 1752011 1465172 2960456 2783619 3735178 3385558 3203116 2970884 2774024 4568675 3861644 2945372 3155293 2885853 4156613 3455677 1581817 1894694 2164320 1863811 1905567 2160265 2234453 3336244 PC 32:3; PC 14:0-18:3; 40684456 49961516 49034324 41330375 42451326 41875862 41645252 36950142 37456571 43065923 29045530 40604651 52205920 44261772 58800638 55345177 50602686 56266789 52261003 49024092 54208138 57539518 63739628 46179746 47616667 48904866 39586838 45404288 38737429 50095105 49003822 48311197 55826167 56726150 53375926 49465548 44072650 37626176 49560886 49252743 52663822 44984383 55803790 51982960 54182794 37757129 PC 32:3; PC 16:0-16:3; 62529121 61443129 66337189 69825373 63640118 68076161 65882229 58254692 57031798 69134818 76180584 62745371 46670103 56498690 46540551 57383226 52232849 59494834 68579031 55846646 64864242 68080163 79906592 62572621 46806051 51789561 41988750 46388751 42126367 53047053 37476142 52944900 44935848 50424669 40473824 57806953 64842163 59746598 46522347 57450162 59877112 43665628 53191857 58673004 55081522 57045866 PC 33:4; PC 15:1-18:3; 12014526 9381314 9927674 9915687 14071400 8539789 10270187 10283592 13073783 9515316 8079052 11984631 13449372 15276807 16575306 14648137 16933278 14823822 15104302 16679221 16333460 16823184 19170864 16808925 14679655 12964509 14716033 12753619 13590807 14974095 16195191 16892698 15374118 14035688 14274636 14424531 13257314 13719919 12565517 16170441 15237678 15854970 12381536 15192133 14990257 12876763 PC 34:5; PC 18:2-16:3; 119233639 108833972 109874344 82853678 95589348 94470185 99832676 101787587 100212067 92235539 92398229 94030948 70183337 69647935 77443352 69558721 72165306 79898659 140906421 127727401 99324448 98017230 104310856 99094185 110593555 120585429 81101275 140338145 88825138 116471841 89242579 125677003 103679059 104974318 109523693 85521742 117145246 90746236 80777757 112175781 113593069 105995900 102368055 101403279 100677760 120873689 PC 34:6; PC 16:3-18:3; 110223543 140152506 105020769 131522926 117107476 123160511 94234915 99176399 96347290 129349356 111691016 106917417 89126744 85738198 70671327 68360599 73072862 114094579 111416654 123608807 115354150 125247456 129928349 123249239 62059805 71234135 85974676 77081543 79530656 102874398 95913959 120576738 92417608 85738234 71105202 71892117 103607929 91081573 68875489 99276736 113713592 102161562 94396669 85615190 94258369 117484534 PC 35:4; PC 17:2-18:2; 19771846 16851354 19784707 19831500 16403206 19111905 16955365 20492862 15183584 21750801 16836723 17842055 37373618 34202999 44917986 51083975 43951858 39606788 36596761 39193321 37315253 32101838 30303511 32813712 33081401 47425243 43939086 34273028 35151284 30457710 38998335 39044276 42224459 43073994 54185634 47016806 31563143 32607771 40759840 36365378 48315392 36786626 39696281 50842056 57711793 34849816 PC 36:6; PC 18:3-18:3; 1539863500 1767814705 1783432137 1964866606 1859608409 2010606243 1985527770 1992014952 1910636244 1858745068 1763838628 1771040652 1717987563 1671133728 1796673733 1637211374 1660205317 1684184968 1958675131 1985444095 1623941908 1987470177 1839661460 2119530664 1451659181 1488966938 1367115238 1543282053 1345598590 1822298836 1853850423 1599221095 1640230780 1411221054 1383888553 1357339959 1587305312 1531632865 1822051602 2003146394 1304176043 1772540018 1470627311 1578724913 1733862575 1720851285 PC 38:3; PC 20:0-18:3; 1040116 999866 1205076 902006 806554 902123 1032675 972333 1061774 1101546 965141 1319294 5242104 7462178 5821581 6523748 5215229 6036290 9239952 7947318 6735238 8734933 7589879 8044081 4974303 5780171 4427327 4497529 4045867 4600393 4173434 5304690 4310527 4451884 2309580 1812339 1993708 1529650 2566446 2697977 3100521 3842679 2973605 2904753 2544755 2680358 PC 38:3; PC 20:1-18:2; 35759519 27938843 29701501 34765987 29015663 35286022 24005842 24416714 26338695 32253380 36538672 29735298 10949224 14313171 14648138 12191526 14259334 12337366 11927906 10135780 14591771 11309752 13030761 14163850 15415331 18343553 16061709 19454352 13565832 13215477 16809976 20261833 17496199 17657277 21778829 26443409 31654333 28077624 17307201 17589655 23403949 19599643 18632576 20562837 20674835 23515333 PC 38:6; PC 18:3-20:3; 38507159 34114298 37736286 29947582 34418313 42459340 31939018 36067441 32943774 43515869 29455797 36514693 33896953 33143274 38592229 29384114 31667117 28832676 39039788 42043431 34032858 34120527 32957351 39259532 32698638 42034947 48953090 35352197 30376869 33475770 38526690 49170937 47081107 38521739 44139612 35781007 32474785 30660858 42010813 27824885 40945225 25301396 36064515 38500029 36757985 30581419 PE (36:1) 751117 926849 1062182 1266440 1215499 832308 749832 912045 790951 1352243 1147508 788111 973482 895559 757096 840973 1117366 844418 981124 817238 916249 779011 738478 856812 1084402 1120040 1189403 1275102 1234731 1087996 1174437 1107303 1193999 1200172 1302818 1098741 1071061 1020165 623051 778058 1008104 1023867 813011 1017872 841435 782628 PE 32:2; PE 14:0-18:2; 3702223 3387725 3404521 3062713 3451219 4414107 3567260 2706087 3648553 3234535 3703522 3733111 4129755 5457951 6669590 4256976 4769506 4051418 5463671 4444403 4921200 5236937 4346937 3783970 14048524 8872873 16046148 8749058 7723500 7515535 7458587 9410010 8747824 9048256 6438924 5119931 6033405 6511544 4968541 5042901 5207067 5656372 5074633 5778698 6049275 5184661 PE 32:3; PE 14:0-18:3; 1635911 1897496 1750031 1708485 2040610 2061289 1536785 1692679 1822057 1740590 1549000 2028995 1910603 1449170 1984534 1777272 2464987 2165092 2573943 2086920 2010988 2508435 1749792 1895340 2192136 2347917 2292431 2595210 2073174 1710885 1790994 2826033 2925688 2129929 2426480 2941759 1711803 1579750 1880248 1867864 2289111 2202391 2323966 2336725 2430501 1688667 PE 33:1; PE 16:0-17:1; 1467287 1522318 1691526 1386907 1274053 1382928 1504919 1244072 1379820 1420149 1624647 1978644 2956639 4955629 3534274 4016916 2961953 3685249 3976076 3083845 2821087 2886744 3488447 2915457 3233970 3751680 2892929 3123210 2782829 3379554 2404492 3218715 2116920 3206332 3028998 2350801 2026890 1902141 2658382 2572345 3043564 3128067 2910896 2500430 2490996 2141940 PE 34:1; PE 16:0-18:1; 19154880 13553256 14807970 17691977 14870574 18017527 13078816 13779189 12438962 16640083 17437615 13393330 10732169 14608209 13396163 13504110 14600334 12538235 9766579 10314461 12628312 11138141 12101489 10016066 12098315 17084496 13981564 13016780 12927948 11896381 17027448 16244855 17365267 15699234 16817656 15676581 17719580 15274722 10459513 12200928 15912300 14802179 13330489 12989712 13717080 13720360 PE 35:2; PE 17:0-18:2; 5186416 3579533 5117174 4093966 4040881 4921190 3538690 4093972 3720303 3841260 4338365 4465243 5608285 7563804 7935473 7493087 7007919 7115654 5626065 7826600 6611071 6745081 6419622 5712003 7369281 7088028 5853718 9188588 8191781 6357958 6766277 7804937 7632403 7140564 6792219 7087286 7173767 5968781 6820914 6818091 6465240 8479824 6502180 8380118 8056958 5164180 PE 35:3; PE 17:0-18:3; 3921119 4059418 3720450 3873917 3337656 5137693 3305163 3500031 3724395 3859619 3151105 3945818 5949989 5276644 6159734 5506519 7729926 7021142 6725741 6842454 9436232 5806165 7450087 7709965 5257041 4090541 6001910 5499259 5851475 5192671 6172896 8006991 5422459 5429866 4326316 4838377 3502300 3718343 4538103 5064861 4170411 4467112 4970034 5296845 6518103 3662075 PE 36:3; PE 18:0-18:3; 100000712 128171388 138513418 94140661 98661290 120447342 122696196 117784576 119116436 102182396 141155592 134214613 157650572 167019435 170566428 135413938 140166740 146433883 167402293 207457367 200832385 218737599 194600057 164647524 182655955 163553651 157509749 174648830 112201274 166017814 128594055 180271045 211125438 178013203 117911152 97065989 129392021 102232448 115488762 145571938 168235818 147187001 144587505 141224588 121904552 157325229 PE 36:3; PE 18:1-18:2; 56339416 57304315 62437883 41541288 55852013 56336358 56987049 50346782 53201041 52335442 49657913 50140552 59178883 56596969 61997345 60267275 74435669 61161473 57671628 53029584 49653799 64305553 64323632 60965812 46656359 62485429 69198177 60057834 39737053 53329729 67321411 59414594 80240216 73651608 67822242 64342417 68675993 65882567 57024919 59438862 72617230 64065841 52891442 53756742 58038885 48773224 PE 38:3; PE 20:0-18:3; 2158705 1658919 1977567 2243573 1891301 2100953 1696676 1934941 2287836 2884495 2742648 2356936 1730736 2015213 2559954 1890611 1968355 1973208 3083422 2568053 2385447 2140201 2534706 2220724 2854210 2173969 2887344 2935944 2111364 3137069 2811515 3517014 2924052 2951943 2033475 2425193 3325233 2956337 1805346 1976084 3030430 2468992 2303853 2579767 2300616 3486353 PE 38:3; PE 20:1-18:2; 3058904 3029000 3460955 2949501 3139404 2641129 3377406 2298393 3373786 3318437 3362014 3721132 1239979 1222443 1512979 1648163 1584430 1381376 1250237 1502977 1394114 1439052 1539246 1434131 1859770 2104085 1741801 1466516 1852254 2020345 2347007 1967183 1887303 2706157 2577775 2514315 3453484 3504100 1873842 2086545 3522340 2299353 1871768 2387612 2474603 2301985 PE 38:4; PE 18:2-20:2; 21612728 25456727 25838424 25418484 17832936 26451286 25744725 18698489 22900823 21895215 24610052 30070877 13616040 17901847 13118131 14376804 10204526 14250585 16881962 13333059 13151585 10976816 12971434 11438271 14676900 21525986 15046670 14686646 17557010 17690050 17967428 17735554 11996000 19239955 20598289 16618126 23578875 23453921 17448709 17352713 20410696 18380930 16075935 18300263 16421230 21283459 PE 42:3; PE 24:0-18:3; 6745507 8353387 8755945 8235722 8226635 8916452 6481197 9263209 7013132 8853863 8684970 8644030 7053425 8131271 7333098 7912470 9022682 8322715 8393244 9873922 10160038 8075491 9947167 7884790 8023846 7807362 9119873 9075594 6463504 8758097 9852189 12184902 11084471 9709573 9371122 8454139 8285510 9893792 8708315 7900130 9909837 8253929 7926024 9351232 9234344 7742264 PE 42:3; PE 24:1-18:2; 9465811 12784135 13479083 11414979 10146727 11389975 10834990 10620951 13827289 11017498 12501097 11761528 4765030 3818564 6121070 4223323 3981035 5341939 3357460 4113046 4150306 3882695 3969631 4066204 4596574 4778151 4364217 4184280 4403670 5023972 5817388 7361614 5981154 5958274 8060423 7249380 9087530 6716790 7061825 8377359 6802056 5472807 6436958 6307519 6503391 6775928 PE 42:4; PE 24:1-18:3; 4349838 3892101 3653461 4753221 3540596 4268521 3790580 3593284 3967187 4976596 3826468 4306162 1733776 2034666 1646450 1945847 1967995 1650464 1327747 1439927 1245398 1843122 1318611 1306041 1445915 1367178 1451136 1423315 1715965 1707212 1605496 1490976 2025421 1714813 1675132 2197824 2182184 2078944 2310743 2684844 1807463 1716076 1671377 1921180 1946510 2127008 PG 34:1; PG 18:0-16:1; 4367931 3820982 4328995 4357259 3930652 3949536 4421883 5128355 3963157 4247537 5222813 4804672 7586450 6276628 7934365 6598542 7332899 9370964 8951769 8478167 8279982 8309495 8372803 6726154 10293678 9249708 8720081 8020796 8634424 8949391 8931584 8251215 10285925 9916575 6634996 7838012 8556808 8499611 8178966 10768222 8408979 7532447 7946608 7772843 7184467 8762899 PG 34:2; PG 16:1-18:1; 21548471 22893040 17210606 22156258 24156103 15622269 23524646 26403236 20720116 22603652 20629853 24750653 56371847 38091671 47480655 47882293 49284594 53799501 56049435 58466777 67925678 43480243 49186048 58636508 65090597 61328459 75781612 69458340 62298464 55863092 53808839 71533049 74912156 53241002 63275786 58765147 65689928 58092892 58014014 46946728 55180659 42242958 51500400 65266900 55809521 76672883 PG 34:3; PG 16:1-18:2; 93156276 97020002 107328455 87470698 90935755 93961552 94528679 121170096 67870697 104887339 86599608 86680333 178803348 172111926 162001683 173866934 189722818 209518565 211424885 204395260 226515191 239509093 204576809 201865878 277733170 190678065 184097166 225724190 203734939 238611860 214628496 246962486 222177704 247966654 143796704 140820740 225936677 196384850 170745786 208464947 193442552 188568180 194833136 145378145 135479602 187384923 PG 34:4; PG 16:1-18:3; 719311099 568899068 618897058 536825639 868322006 547992157 558931958 643380448 743133023 501242094 447164093 650750066 338049627 360479004 441507347 352308021 421329734 360600744 365515367 385031837 378781805 430657180 431736848 406833259 428259718 365948288 464712279 374573094 440798104 374409202 468472326 382881018 373871369 345041469 426248503 473775840 497275847 492937256 408226452 546878967 457302356 486485292 426340711 438061289 447263740 485388627 PG 36:7; PG 18:3-18:4; 5898152 5759356 8111606 5347433 7232293 7885580 5384666 8774399 5524952 6950581 5728188 6264016 1882708 1731233 2056095 1540324 2350908 1763104 2432635 2059343 2138699 2550654 2098134 2578917 2921456 2320846 2406094 2359548 2428141 1911618 2407406 2063411 2347099 2296375 3349036 4152007 4125697 4555360 3155919 3430010 2940726 2539675 2862339 2927713 3380661 3855220 SQDG 34:1; SQDG 16:0-18:1; 7125646 6306952 6910024 8847569 7321541 8300231 6939509 6173529 6394754 8098699 7971525 6733829 7600702 8781765 8845528 9576485 8702076 9814546 7322307 8486763 8812349 9539497 8215683 8633437 11138237 9753056 11436323 12283475 9183371 10551671 10514653 14580512 8731610 9433480 9404594 10042987 14062474 11617605 6998785 10191220 10831304 7396844 9645101 8794906 10495113 12136773 SQDG 34:3; SQDG 16:0-18:3; 137007762 138386967 115533589 91603147 134351306 131449311 120118477 131736998 106937820 141831389 116002605 107660896 180307743 149197988 169659405 177132998 167040700 159519719 147345986 138716838 127786935 139838276 146754410 163252050 142929286 157612898 102522433 133053423 129440025 132281314 128510140 131709043 124081084 146246085 113265549 143937917 135449422 151723552 169809444 147095560 154193553 92959885 146929173 132311322 129216599 136422444 SQDG 36:2; SQDG 18:0-18:2; 581995 598783 932355 748164 625129 575063 587366 589626 747618 755427 598165 671794 2717385 2518207 3687694 2722573 3735194 3728504 2164439 1935149 2611657 2411375 2213301 2557906 1711164 1723444 1759056 1859062 1533541 1866990 2210177 2553935 2178559 2144719 1412308 1187731 2248900 1968276 2066770 1759216 1243851 1273662 1113514 1703750 1432666 2164184 SQDG 36:3; SQDG 18:0-18:3; 3225848 3181612 3954845 2689422 3242422 3683401 2482210 1965232 3458880 4083109 3311534 2114778 7541434 5632415 5497661 5573841 7267763 6621922 4893222 5873169 5602105 5636103 5902871 6371130 3759691 4633032 4835353 3716432 3825599 4195766 3755498 5520569 5900074 4582567 3222801 3216747 4456183 3971158 6354143 6064198 4678546 3086317 3677615 5098760 4163838 3277054 SQDG 36:6; SQDG 18:3-18:3; 97676344 63087550 101138856 91297740 72223047 77749393 58973169 73758070 63482449 86813672 78676223 65482103 65144726 51327837 62964514 63861144 56226973 57392743 42783280 49832084 38013053 54361266 42645023 68577698 44620037 52879281 42046760 40351001 42496145 50841898 39316349 54348780 52331471 33199237 62469546 46678962 66211291 92903832 82395498 73264721 60066468 52314226 61902766 57766714 45803599 55285410 SQDG 38:6; SQDG 18:3-20:3; 1044493 699906 883510 612092 630735 757657 702703 657430 600423 648235 642320 613404 827282 743982 737083 856873 803592 944998 1033904 1002761 835902 752737 789415 963208 1926567 2071294 1556065 2388823 1450778 1697589 1294274 1793079 1293772 1139400 1836296 1298607 1099781 1048475 811480 1018409 1544394 1143068 1289118 1357501 1598743 820236 TAG 52:4; TAG 16:0_18:2_18:2; 5045406 5232691 4679613 6599731 5707838 6011938 7296431 6025514 5144933 6302974 5413136 6322379 23173948 20045710 24285152 22360205 24605358 22227730 8785500 9004862 7984249 6545817 9664235 6501528 25827139 18935272 18301606 21383862 24003614 7937263 8221694 9000389 9514800 10788572 18962699 19366984 7920090 10128293 17449946 22645603 9087077 8772817 11120764 10061012 10571332 6248695 TAG 52:8; TAG 16:3_18:2_18:3; 3347515 3355631 4722858 2993174 2585864 3266227 3202467 3759591 3666656 3454170 3676818 3034914 1591527 1621643 1766371 1362149 1389849 1571043 791908 845491 1235179 976839 688922 1226639 1346153 1005673 900193 891104 925128 318198 489174 403533 729474 324345 1329078 1803413 1791985 2086983 3920235 4181310 1475828 845649 1061701 1652158 1026661 1671030 TAG 52:9; TAG 16:3_18:3_18:3; 1349524 1262933 1633904 1507173 1378252 1692782 1801738 1660005 1774487 1753649 1654484 1745250 2031150 1868567 1864312 2154778 1836507 1540730 880126 1000045 882781 868435 981837 848843 1618779 1318035 1803655 1297876 1650207 700901 692389 881685 1294514 734350 1623658 1199475 1684430 1784819 3762507 3252781 1326619 1320249 1043212 1263331 1038985 1910023 TAG 54:5; TAG 18:1_18:2_18:2; 3670670 4296107 5330152 3599081 4750129 3400277 3430431 3663737 4332242 3563395 3531525 3367521 17976992 14616171 13918839 18654401 18120415 15268882 4541426 4434784 3599771 3824664 5932075 3609509 29704096 21470453 19227546 26690029 27431558 4573120 3679928 4573224 5615851 5083500 15646403 24136284 6808043 7661654 4747898 5528782 4834558 4117407 4082492 4937824 4623789 3248109 TAG 54:9; TAG 18:3_18:3_18:3; 24308979 26537839 25440203 26603761 20117873 21745065 19111347 29144742 27845269 30108798 22816047 22068272 24449432 25345901 24957260 28072991 25616134 24752912 21169694 20546950 28047263 17813100 17583234 15825516 9311534 7751667 7077941 5747769 10034958 7121490 7747279 7872655 9825045 10824617 13447966 16392964 12862805 14638125 34682815 31831181 13642156 10102459 10860729 12870576 11530971 8745233 TAG 56:4; TAG 18:0_18:3_20:1; 373903 362220 325206 408805 281748 368893 456839 437154 393269 401577 440973 348958 14927831 11002541 8605952 9688431 10696205 15704065 1297825 972019 767844 1042744 1388799 937671 20380587 35091877 26923245 35124187 47427665 1356937 1035482 1211619 1217736 1837130 19387852 16706787 1117518 7001587 1637561 1671030 677226 579473 581481 635052 679303 441250 TAG 56:6; TAG 18:2_18:3_20:1; 979979 952399 983427 958676 900599 1082455 909738 977966 1076871 1008240 919228 952687 21096867 27519356 23048049 32231515 23131295 26031075 1899116 2880995 1204338 2522408 3130366 1778147 58530442 41313182 49667001 65681718 77030255 2567338 1897136 2648467 2237294 4240324 38953282 30002362 2369433 12647100 1389578 1713994 617958 647679 652557 633415 559035 461844 TAG 56:7; TAG 18:2_18:3_20:2; 763248 1089221 812318 575367 848451 779151 748899 773094 706428 690667 723180 852271 6679298 9993797 8500970 9992836 6304006 6869405 649693 564909 430206 855545 695279 566691 18041375 11575652 15802229 12541219 18285482 497420 404201 600009 551815 1027495 9644766 6587809 806239 2948599 1261529 1244207 407898 470038 371639 489320 408511 406335 TAG 56:8; TAG 18:2_18:3_20:3; 653867 747541 586016 533525 552454 648557 570050 479077 640129 569449 621841 608310 673798 1070559 969531 1348687 816417 1038681 383340 352779 334075 378641 369310 355040 1144474 1305697 1282272 1362714 1923798 246229 196244 308928 235895 284046 826409 792994 556568 482859 914683 1062780 244363 291876 278689 334530 234718 228845 TAG 58:5; TAG 18:2_18:3_22:0; 114518 144514 83379 137144 157008 154107 202550 194564 105068 242120 94418 183484 6035163 8789401 7177945 8334642 8199399 1499220 246082 308639 334846 300796 355342 281581 20979535 14883931 15398232 17660117 19995537 478654 360061 606656 624314 503560 1524131 2166568 250906 601584 1154588 1117886 998068 764434 987714 882409 897572 176229 TAG 58:7; TAG 18:3_18:3_22:1; 33320 72427 39978 32066 45398 86811 47445 38664 74458 30354 36584 77503 981750 1827663 941058 1691467 1072523 919409 62353 61071 48866 118296 118614 74259 2259821 1833841 2753687 1969015 3444101 72653 77862 117111 71115 190992 1448628 1364073 125379 462675 197691 183092 57498 31167 45306 70159 35476 28006 TG(50:1) 280624 263428 383233 324080 293318 269334 375576 243473 337562 277399 492634 270634 1037455 689340 849939 1248584 1155622 1215708 477115 419005 588531 318604 460752 409840 1515829 1495795 930661 1401237 1394865 357479 317307 403726 369965 350215 874784 1018922 556853 634706 367979 536180 255630 338575 338051 383256 409902 421318 TG(50:3) 1140402 1253269 1120908 1516996 1326178 1386241 1553462 1430633 1091505 1362095 1256084 1302596 5912716 4973251 5804819 5404888 6297963 4157156 1482063 1854275 1768270 1550878 1792039 1663525 2884033 2319959 2074106 2657707 2642804 1236427 1208208 1299422 1506936 1753673 2796615 2596874 1224388 1589329 6202450 7003386 1824179 1708984 2192429 2211079 1876568 1039895 TG(50:5) 211598 250460 251436 172204 178714 218699 260337 287730 194666 256066 238022 281242 486645 511804 456209 691590 574834 655368 248835 373074 374963 326969 251693 383969 419742 434687 436173 361435 450530 248146 286764 323947 340732 290657 628106 632556 333616 326721 876500 895011 449095 346220 521744 513211 404649 210052 TG(50:6) 394801 206504 295368 306957 322343 306667 319648 187042 283897 282285 264378 370146 487850 564634 618493 485719 558366 722258 344028 341588 286501 292570 259995 280166 297505 191166 178194 249230 262642 137915 206454 202744 131737 195299 383592 382768 240064 210491 863818 1016345 570523 250161 306848 366892 449503 159849 TG(51:5) 204273 170060 247032 160649 147113 186347 232616 222861 212594 198689 227840 193369 996645 876259 1098121 1019346 975097 1049774 448764 475224 398533 451171 475059 466382 574442 456980 412756 345977 447941 484719 492481 458231 498679 519087 745399 745730 376278 384335 967562 1135344 602342 622580 710478 707204 755335 217773 TG(52:1) 144607 149319 130511 147550 188376 124714 550930 77638 70026 74041 274831 93411 730717 512004 677670 776737 737732 958175 201676 118895 271150 130603 281025 149636 1513823 1444180 1030788 1539647 1524688 203981 247078 211058 241827 237720 816799 729217 305538 533048 261621 209629 105524 97616 152382 162669 105050 171452 TG(52:2) 416715 389687 442594 410820 497915 464281 422716 312731 343871 372759 565823 411381 2860538 1921703 2454357 2756108 2416756 3495386 707713 596430 569861 499208 764438 630587 5483913 4103032 3127361 4438080 4713834 465586 644419 559299 643244 603973 2603951 3218982 817664 1137167 1119366 943067 404034 359671 470941 435861 356711 412178 TG(52:3) 1316325 1624887 1674598 1467974 1824296 1802351 1569042 1485121 1479726 1411857 1374688 2288103 7903824 6952902 9556498 11300653 9426755 12534857 3322639 2910550 2308196 2109997 2196426 1808055 14700496 13173925 13236275 15452465 18652492 2307368 2475135 2262566 2319320 3228950 9156665 11569117 3352728 4096853 3692674 3826251 1804374 1739545 1776253 1403146 1450861 1518723 TG(52:5) 11905076 9397692 10673574 9444806 11745812 11553794 10345792 15268000 11072131 13262376 11997984 11477471 25218285 26738948 30155502 33386779 32031174 34510435 10042184 16105361 10108303 12082943 8685450 11569934 16233513 18480681 18495617 16708278 22198488 865801 11034937 11709438 12612919 10056570 20204830 14886089 12352971 17193293 37863621 45508949 13924523 12394711 13269533 15216791 12365873 9926817 TG(52:6) 8327375 9541038 11423196 8288005 8076635 8212925 11221124 11745577 7539360 11594915 8669217 7322531 22531088 19776939 24804245 27143365 26039249 32334259 10955237 8819956 9055359 9044088 8157772 9404563 10070211 8517325 7620548 8299104 9785696 6044661 5586612 5562597 6401371 5299742 8432661 9659781 7622455 7480830 31765201 30705764 8181483 5790540 8069535 9971464 7459889 4572917 TG(53:3) 19950 22797 25245 10548 32009 26617 27691 11939 9781 9782 21504 10602 152212 110388 126221 223311 174241 155053 60905 55639 10190 9690 38766 10678 374029 295670 237433 344157 361107 9941 23845 39460 26080 36284 290175 194600 44744 133430 62333 106765 32168 26707 45463 47515 27425 9322 TG(54:1) 10668 25285 29464 10548 9866 9879 40809 26844 26500 9782 35042 10602 530848 636346 712187 1059604 697307 834962 64648 49183 34392 45319 106076 27394 1229882 1373827 1264573 1870656 1731945 111265 121165 82222 109138 160854 1020613 836429 126660 352691 61634 95021 26437 22380 23242 31332 9879 50952 TG(54:2) 221533 131009 152640 152868 184716 213032 122672 105505 76080 155101 268274 104680 3786447 3625702 3961962 4765188 3798076 4419837 389684 448165 351421 366764 670898 394847 10661806 9673063 8854521 8780860 13299673 389459 508534 492303 469584 668009 5471111 4096818 612005 2683911 467130 399627 243096 256640 231755 223374 229206 165051 TG(54:3) 1238112 836607 948420 943336 960545 836129 778785 620564 610970 735748 933436 783170 10073105 12059894 12851659 16413391 13851752 17295785 2274124 1643455 1192329 1650630 2089146 1605081 28706893 28412470 22460794 31084345 35576199 2113988 2140872 1596578 1599478 2463563 17260927 14208293 2118848 6588676 1599511 2104875 894996 732828 734769 734137 642335 700296 TG(54:4) 889216 1022798 1267195 663182 921952 1075115 907410 1113556 787808 875506 875181 929458 10556693 12005887 12252936 11252521 11324291 12128147 1558801 1468997 1072872 1228220 1696717 1694554 12135136 11777294 15980249 19103675 28972093 1348297 1183460 1776424 1699805 2319596 12378736 9717890 1841534 4695279 1562303 1765235 945231 1094055 1121691 1236759 1210721 835629 TG(54:6) 13232686 12535652 12887022 11226794 11000984 10185023 11621681 11243064 10704130 9786778 9080230 10278054 16094753 17506234 22458334 21588799 19405938 22835119 9226325 14510035 10855898 11466184 9104669 11009866 29183428 25133830 28349196 29678391 28670653 7562758 10135784 11959912 12187238 9706146 27943477 23168269 16003398 19469576 13186496 15810495 12798111 10992978 11722207 13375426 10927585 10007255 TG(54:7) 26829886 29424817 31848080 22377731 25497760 24392500 33265487 30234681 21349143 35140678 25031864 21757698 29204713 31203925 31148702 35621953 35457828 46141800 29104256 23792856 25044676 22409436 21837296 23528943 34938164 26058314 21740853 25943984 30010784 16340913 16023070 19420205 20477703 17776735 29817736 34476126 36122034 31512182 43422686 44266556 30997359 20342859 28548194 32888064 32273251 19994609 TG(54:8) 63705458 44643743 48279941 55212745 56269833 44427076 51921875 57109851 39775372 45813904 49561378 55142459 44295179 43755836 57045958 51773277 36302695 49248544 35792848 35707101 34052533 33838841 38688887 33950631 24047334 25566316 24248342 24563748 24899658 19989783 21426334 24357094 20239102 21212224 51466814 43505356 40543929 36289588 54172433 61895004 36930333 35616562 33485503 35688463 32747198 26390547 TG(56:1) 10668 10120 10580 10548 9866 9879 9661 11939 9781 9782 58519 10602 406271 309043 416755 487511 371250 517367 51206 72722 20646 38037 67784 22821 613333 711565 743073 580154 977853 37421 59415 79152 24583 110730 771095 439406 87166 198082 28405 49488 25328 9508 20228 44458 9879 36323 TG(56:2) 10668 10120 10580 10548 9866 9879 9661 11939 9781 9782 10072 10602 604417 589299 799735 960702 570972 681387 29606 46472 31539 58407 90351 27597 1064046 1148418 1051413 1415306 1415379 145953 40604 115296 67794 141805 877808 935722 85316 429125 75876 96738 130812 69381 112899 99773 115386 9322 TG(56:3) 101542 130795 101637 79551 135352 127210 92758 101268 88456 148813 113904 94872 13570608 10963129 11524632 14705877 12545479 12229980 944189 986681 746473 893959 1380866 625462 28540233 26225886 33742229 26840149 33536956 1060786 992632 1200341 1096925 1544539 15012398 12134566 1293375 8691690 838908 889615 281922 239362 299138 238907 215654 101810 TG(56:4) 196201 173247 150408 94505 189536 179974 278784 300654 256192 232572 130621 134128 10839581 10550392 10368808 14868411 10994629 11499141 1213883 997248 541616 1154112 1206825 729539 30094234 26718564 20868332 27801834 39403505 875338 964491 1021223 831258 1448800 14623377 12071778 1043017 4828337 647548 738292 416196 397348 356984 207431 469452 62225 TG(56:5) 422416 392559 579069 472559 535375 662515 455570 452712 394228 465089 413101 570307 30701421 32847882 34155301 33460857 32889176 34900044 2818030 3537031 1667273 2947647 3368731 2373977 65874322 54111058 53405146 62557070 93183049 3106243 2804727 2854466 3183343 5443321 40153721 40190911 2682717 15005576 1342542 1406292 615092 460453 569506 563701 579544 403991 TG(56:6) 209777 180688 335060 175847 147432 198449 196175 241076 189439 246786 198243 337175 1879487 2406475 13396113 2627284 2013974 1767728 261279 450201 552439 393822 320723 402431 2102051 1691289 2455275 2511547 3526086 218275 207233 259783 213273 256024 1666738 1306990 189787 557944 767037 1009460 272001 194165 269511 353517 247475 80819 TG(56:7) 1214394 1600869 1315332 987308 1184013 1236524 1203539 1259311 1182520 1147852 1141403 1356527 9323777 13567954 11875314 13346636 8766753 9733932 931452 1038945 662225 1189309 995617 828710 25024112 16402592 21548662 17577321 24758058 880235 732443 973507 855202 1590832 14114655 9789666 1266820 4544974 1830222 1810989 583814 728864 610757 761353 613272 636764 TG(58:2) 33044 47636 22200 54821 26995 9879 32467 26822 26996 35182 39931 22158 1428355 1172800 1347267 1716322 1099640 1721279 210264 145463 74351 102552 139803 48573 2303974 2629864 2675481 2259157 4961359 167848 191199 344393 179903 275693 2458309 1424823 236119 664406 207538 185090 252299 238656 238212 279712 191986 56228 TG(58:3) 10668 18905 10580 10548 9866 28604 21278 11939 9781 9782 10072 10602 860652 1042696 1154518 1478400 999905 951295 66811 47608 40875 54822 129958 69298 1860079 1856464 1747157 2364980 2186992 121859 97341 83999 100110 128296 1394267 1692346 206553 939264 161028 210578 90129 27010 30451 41777 76722 9322 TG(58:4) 116395 140582 96274 50890 86611 174821 161170 125476 160498 102708 136458 214130 13777858 11833151 10551185 13917212 15489611 11444569 1241920 923790 1039194 1160492 1727341 700425 25118950 30355051 37518364 28106501 33925559 1164831 980214 1092338 1254459 1655565 18080056 14439378 1706012 9184371 1164799 1470024 847197 462962 890617 485841 789119 209450 TG(58:5) 41182 24551 27558 23369 9866 29364 70751 11939 18961 103624 28556 50576 2477794 3628745 2963101 3124475 3576937 2355200 258173 245698 143401 269526 329508 173997 6456852 5253449 5655793 5898000 5528180 283152 284864 231580 289974 489536 4029040 3997334 320710 1571257 176262 203668 68259 30713 372317 70334 28654 34327 TG(58:6) 95737 43931 110405 53383 47485 94084 87865 52062 44223 31626 78773 53125 982998 1454827 1105028 1317972 1190082 1450221 51211 57409 58279 89282 99678 127083 2940923 2315582 2820601 2750217 2803538 135535 50684 179837 68484 222983 1805952 1844491 129877 845609 238936 204185 157819 147631 132819 84477 65005 31766 TG(60:3) 10668 10120 34073 10548 9866 9879 9661 11939 9781 9782 27097 10602 737851 868596 645802 1156753 684349 709561 69282 124332 30202 30711 116804 32773 1818998 1576984 2090023 2125113 2502787 60342 123836 108637 87556 106924 1098601 940890 113658 360895 103817 197915 43775 44418 56787 62950 58803 24073 TG(60:4) 33474 29663 37306 10548 25932 9879 54314 36852 9781 26156 32427 28004 1388077 1821551 1740614 2537017 1636173 1513408 77092 112047 27672 70580 165832 29870 3827320 3023725 2774808 4214763 3892727 209452 179795 260812 203507 257066 2226171 2413494 234563 917122 260760 481919 244711 151761 238481 425109 162657 27765 TG(60:5) 93406 65243 127714 52282 135207 108459 157407 179903 145759 142599 105600 160952 1119793 1572088 1017033 1739864 1114473 1148877 171462 189518 89480 139706 121951 129312 1870606 1604118 2208961 1813246 2893579 127800 172976 157741 184859 259046 1375033 1385127 273401 426523 508416 505297 159014 178041 194079 209235 190058 38860 TG(60:6) 875463 650246 788612 657337 804993 795751 953660 749030 680120 821705 782491 748644 2145434 2956439 1856535 2383784 2181884 2218608 1550587 1589817 1447089 1338157 1445193 1515003 2260347 2280497 2061121 2860179 2611550 1367442 1339521 1340366 1414721 1414961 2581689 1829543 1197301 1170393 1844901 1743888 1163645 1210670 1041449 1023024 1158448 873415 TG(62:4) 25105 35841 28633 10548 9866 38342 9661 11939 9781 26596 29462 10602 231970 198455 186852 353897 226801 270870 26622 9856 27117 25970 33171 37707 463984 463886 442126 373411 596985 42319 43595 29925 45140 49029 375349 242629 30334 52535 123100 124553 23592 28826 39925 38417 9879 9322 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantified m/z rtimes(mins) Adduct InchiKey AC(14:2) 368.2799 0.65 [M+H]+ HXOGMKPCIDSSKJ-NKBLVAAJSA-N AcylGlcADG 50:2; AcylGlcADG 16:0-18:2-16:0; 1024.8033 8.43 [M+NH4]+ FJDBGXOVRVMDAM-DHSNEXAONA-N AcylGlcADG 50:3; AcylGlcADG 16:0-18:3-16:0; 1022.7883 8.06 [M+NH4]+ YPMYBQJOXKYNOX-FJYSWILXNA-N CE(18:2) 666.6192 10.35 [M+NH4]+ NAACPBBQTFFYQB-LJAITQKLSA-N CE(18:3) 664.6039 9.92 [M+Na]+_[M+NH4]+ FYMCIBHUFSIWCE-WVXFKAQASA-N CE(20:2) 699.6063 10.71 [M+Na]+_[M+NH4]+ REFJKOQDWJELKE-NJJZEKHRSA-N CE(20:3) 697.5905 10.31 [M+Na]+_[M+NH4]+ MLPRJPSMAFZPLA-PJSAOELNSA-N Cer(d42:2) 670.6147 7.66 [M+NH4]+ VJSBNBBOSZJDKB-KPEYJIHVSA-N Cer-NDS d34:0; Cer-NDS d18:0_16:0; 540.5358 5.79 [M+H]+ GCGTXOVNNFGTPQ-UHFFFAOYNA-N DAG 32:3; DAG 16:0-16:3; 580.4942 5.31 [M+NH4]+ VDWIHAFSNZVNPA-HLMRNWPHNA-N DAG 33:3; DAG 15:0-18:3; 594.5101 5.53 [M+NH4]+ UARHXHPRJDJCKE-SVNQLWEDNA-N DAG 34:0; DAG 16:0-18:0; 614.5729 7.44 [M+NH4]+ ONCLVQFEAFTXMN-UHFFFAOYNA-N DAG 34:3; DAG 16:0-18:3; 608.5259 5.85 [M+NH4]+ UHPKYXAUVQOHQL-SVNQLWEDNA-N DAG 34:4; DAG 16:1-18:3; 606.51 5.32 [M+NH4]+ UUPFPLJLQPYEKS-MVXJGUQMNA-N DAG 34:6; DAG 16:3-18:3; 602.4787 4.5 [M+NH4]+ YEXLSDHVXIZUSM-AAXIOSLLNA-N DAG 38:0; DAG 18:0-20:0; 670.6358 8.68 [M+NH4]+ JPKVDETWOQEHQO-UHFFFAOYNA-N DAG 38:3; DAG 20:1-18:2; 664.5881 7.02 [M+NH4]+ YTBITHSVLHBAPO-FSZVMMKHNA-N DAG 38:4; DAG 20:1-18:3; 662.5734 6.54 [M+NH4]+ TYCOHOSLQWDQAF-PITZWMLNNA-N DG(32:1) 584.5257 6.25 [M+NH4]+ XEQQGHISHUGMIP-ASUORMEESA-N DG(34:1) 612.5571 6.85 [M+Na]+_[M+NH4]+ YEJYLHKQOBOSCP-OZKTZCCCSA-N DG(34:2) 610.5416 6.32 [M+NH4]+_[M+Na]+ SVXWJFFKLMLOHO-YAIZGCQRSA-N? DG(36:1) 640.5885 7.5 [M+NH4]+ SAEPUUXWQQNLGN-LVVMQYBKSA-N DG(36:2) 638.5728 6.91 [M+NH4]+ AFSHUZFNMVJNKX-LLWMBOQKSA-N DG(36:3) 641.5125 6.39 [M+Na]+_[M+NH4]+ BLZVZPYMHLXLHG-JOBMVARSSA-N DG(36:4) 634.5414 5.86 [M+Na]+_[M+NH4]+ MQGBAQLIFKSMEM-ZHARMHCNSA-N DG(36:5) 632.5258 5.41 [M+Na]+_[M+NH4]+ PGXBELQFNRPKBC-WBVIKXMWSA-N DGDG 32:3; DGDG 16:0-16:3; 904.6 4.16 [M+NH4]+ XITYCQZDTHKFQC-HLMRNWPHNA-N DGDG 34:2; DGDG 16:0-18:2; 934.6472 4.99 [M+NH4]+ QZXMUPATKGLZAP-BCTRXSSUNA-N DGDG 34:3; DGDG 16:0-18:3; 932.6315 4.6 [M+NH4]+ WVWINZZVFAFVMJ-SVNQLWEDNA-N DGDG 34:4; DGDG 16:2-18:2; 930.616 4.16 [M+NH4]+ ZGGUHLAQJRRFRW-ZJCTUUHQNA-N DGDG 34:5; DGDG 16:2-18:3; 928.6006 3.85 [M+NH4]+ LEABKTOLCPVZJR-NOGDRUJUNA-N DGDG 34:6; DGDG 16:3-18:3; 926.5854 3.57 [M+NH4]+ CRQQFUFBPDKXKC-AAXIOSLLNA-N DGDG 35:3; DGDG 17:0-18:3; 946.6476 4.88 [M+NH4]+ PUNVOFSUTXXFBB-JTBMWNAQNA-N DGDG 35:6; DGDG 17:2-18:4; 940.6006 3.74 [M+NH4]+ VWJYGMWOCBDYBO-XCHGXMOJNA-N DGDG 36:3; DGDG 18:0-18:3; 960.663 5.19 [M+NH4]+ PPVUDDOGWKXFPF-HLMRNWPHNA-N DGDG 36:3; DGDG 18:1-18:2; 960.6626 5.06 [M+NH4]+ KCWRXTZCUNBOLH-RQOIEFAZNA-N DGDG 36:4; DGDG 18:1-18:3; 958.6473 4.64 [M+NH4]+ OTTULVKDNCZNKY-XEKZTXPJNA-N DGDG 36:5; DGDG 18:2-18:3; 956.6314 4.26 [M+NH4]+ GKSHYDZIFVNLSS-DYXXURTGNA-N DGDG 38:5; DGDG 20:2-18:3; 984.6633 4.75 [M+NH4]+ XDZWXEXAMRUDOI-ICMWVQSYNA-N GlcADG 34:3; GlcADG 16:0-18:3; 784.556 4.53 [M+NH4]+ GRQWEXRTFAUFIC-SVNQLWEDNA-N GlcADG 36:5; Glc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p-40:1) or PC (o-40:2) 828.6878 6.59 [M+H]+ IAVIYOOCANBIJO-DZWPKMMWSA-N PC 18:0e; PC 14:0e_4:0; 524.3718 2.12 [M+H]+ HBDDPDCWQRQTDQ-UHFFFAOYNA-N PC 18:2e; PC 16:2e_2:0; 520.3405 1.06 [M+H]+ JVDZMIANQJZKTI-MURFETPANA-N PC 32:3; PC 14:0-18:3; 728.5239 4.05 [M+H]+ AGQKQQAJRFTOGL-ZWABBIBGNA-N PC 32:3; PC 16:0-16:3; 728.5237 4.14 [M+H]+ DRJYDRMOXGTDIW-XDZFUVEGNA-N PC 33:4; PC 15:1-18:3; 740.5239 3.99 [M+H]+ OJUFULGONBEBHS-BTILKBFRNA-N PC 34:5; PC 18:2-16:3; 752.5236 3.83 [M+H]+ ZXTGNTHGMQPDHK-AMDXDXLNNA-N PC 34:6; PC 16:3-18:3; 750.5079 3.56 [M+H]+ YIFVPWAMNATDTC-VUYZKCGXNA-N PC 35:4; PC 17:2-18:2; 768.5546 4.37 [M+H]+ XSAUCFBUCBKVEB-KWXKLSQINA-N PC 36:6; PC 18:3-18:3; 778.5392 3.92 [M+H]+ XXKFQTJOJZELMD-RSLAUBRINA-N PC 38:3; PC 20:0-18:3; 812.6176 5.31 [M+H]+ ZDCCXTFOQDDLSE-ASMNEVJANA-N PC 38:3; PC 20:1-18:2; 812.6174 5.62 [M+H]+ KJDCENXZHMAYTN-FPIVKKIXNA-N PC 38:6; PC 18:3-20:3; 806.5703 4.35 [M+H]+ JLEMRYFBYBVOJE-ALJCJEJANA-N PE (36:1) 746.5709 6.26 [M+H]+ JQKOHRZNEOQNJE-ZZEZOPTASA-N PE 32:2; PE 14:0-18:2; 688.4919 4.54 [M+H]+ HMARMWSETGYKDK-BIXSNLIQNA-N PE 32:3; PE 14:0-18:3; 686.4759 4.18 [M+H]+ UQHUDDVHEIGOTM-YYPVPKODNA-N PE 33:1; PE 16:0-17:1; 704.5235 5.3 [M+H]+ CBDUTJYWWDMHBN-ICFOKQHNNA-N PE 34:1; PE 16:0-18:1; 718.5393 5.61 [M+H]+ FHQVHHIBKUMWTI-ZCXUNETKNA-N PE 35:2; PE 17:0-18:2; 730.5391 5.44 [M+H]+ UJCJWIHZUHMDIT-OHNCOSGTNA-N PE 35:3; PE 17:0-18:3; 728.5229 5.03 [M+H]+ RYZPJMBHFBHWCI-JTBMWNAQNA-N PE 36:3; PE 18:0-18:3; 742.5397 5.32 [M+H]+ DCPDPBCUPLKQNQ-HLMRNWPHNA-N PE 36:3; PE 18:1-18:2; 742.5395 5.2 [M+H]+ GKAFCSRKMWFPSJ-RQOIEFAZNA-N PE 38:3; PE 20:0-18:3; 770.5711 5.97 [M+H]+ ORRMWFBUBWOGBF-QYKSGGSCNA-N PE 38:3; PE 20:1-18:2; 770.5709 5.8 [M+H]+ MHGHFPQRNCAGQZ-FSZVMMKHNA-N PE 38:4; PE 18:2-20:2; 768.5551 5.3 [M+H]+ ZVMOCFAAUCJXQU-QWRCKZSHNA-N PE 42:3; PE 24:0-18:3; 826.6335 7.25 [M+H]+ DRPHJUQOHGTYDX-IIINXBBINA-N PE 42:3; PE 24:1-18:2; 826.6335 7.03 [M+H]+ WUTQBRQRFGUULS-MRMOKQRHNA-N PE 42:4; PE 24:1-18:3; 824.618 6.59 [M+H]+ DUXRRPDNOJPCDR-OKKZCSHANA-N PG 34:1; PG 18:0-16:1; 766.5604 5.24 [M+NH4]+ IPJKIWYVQGPZEW-PEZBUJJGNA-N PG 34:2; PG 16:1-18:1; 764.5444 4.73 [M+NH4]+ VCYYBLIRAQBPTM-LJSPAGPLNA-N PG 34:3; PG 16:1-18:2; 762.529 4.33 [M+NH4]+ PTJBFPPEYDFAAQ-RUGCENDANA-N PG 34:4; PG 16:1-18:3; 760.5135 3.99 [M+NH4]+ BFIMUUYOALOYGB-MVXJGUQMNA-N PG 36:7; PG 18:3-18:4; 782.4982 3.51 [M+NH4]+ ZYDPGBYSFGKLBG-ARDMRTSLNA-N SQDG 34:1; SQDG 16:0-18:1; 838.5717 4.69 [M+NH4]+ SQOJCPIJIDPYDD-ZCXUNETKNA-N SQDG 34:3; SQDG 16:0-18:3; 834.5407 3.97 [M+NH4]+ PUAZHUYVSFVFNU-SVNQLWEDNA-N SQDG 36:2; SQDG 18:0-18:2; 864.5885 4.82 [M+NH4]+ FCMCWYRHHQBSSR-MLWYYCKJNA-N SQDG 36:3; SQDG 18:0-18:3; 862.5723 4.48 [M+NH4]+ BNQUZMFMILATTF-HLMRNWPHNA-N SQDG 36:6; SQDG 18:3-18:3; 856.5253 3.49 [M+NH4]+ LCFUHZTZHHVDNX-YTWBPVBXNA-N SQDG 38:6; SQDG 18:3-20:3; 884.5562 3.83 [M+NH4]+ QGRYKFYKELNLSH-VBJJEHBKNA-N TAG 52:4; TAG 16:0_18:2_18:2; 872.7715 10.06 [M+Na]+_[M+NH4]+ UAWKISGGTGCUMP-HTUQFOBENA-N TAG 52:8; TAG 16:3_18:2_18:3; 864.7076 8.45 [M+Na]+_[M+NH4]+ FFYHUXYUDZHEGV-FWPKVRRPNA-N TAG 52:9; TAG 16:3_18:3_18:3; 862.6934 8.04 [M+NH4]+ LDJILMZINOCQIS-HQZGDWGUNA-N TAG 54:5; TAG 18:1_18:2_18:2; 898.7873 10.08 [M+Na]+_[M+NH4]+ POVFMDGBZDJLAN-BHFHHPLZNA-N TAG 54:9; TAG 18:3_18:3_18:3; 890.7247 8.52 [M+Na]+_[M+NH4]+ NOUYRNHHMSLWCI-HQZGDWGUSA-N TAG 56:4; TAG 18:0_18:3_20:1; 928.8341 10.9 [M+Na]+_[M+NH4]+ DROMMXQIYFHTCF-WQMLQMBVNA-N TAG 56:6; TAG 18:2_18:3_20:1; 924.8031 10.15 [M+Na]+_[M+NH4]+ KWDFSTOEAOSHSH-ZDBFOZFENA-N TAG 56:7; TAG 18:2_18:3_20:2; 922.7877 9.76 [M+NH4]+ YOWXWNBKOQQXFV-XIWAIMPBNA-N TAG 56:8; TAG 18:2_18:3_20:3; 920.7722 9.39 [M+NH4]+ NFQZZPKEGZEQRB-YBWWLUHCNA-N TAG 58:5; TAG 18:2_18:3_22:0; 954.85 10.99 [M+NH4]+ HBONMNPBGDWWOT-GMAMBWCUNA-N TAG 58:7; TAG 18:3_18:3_22:1; 950.8193 10.22 [M+NH4]+ DQHZRVNJQNXYKY-RVOJAEDHNA-N TG(50:1) 850.7871 10.77 [M+NH4]+ YHMDGPZOSGBQRH-YYSBDVFPSA-N TG(50:3) 846.756 10.07 [M+Na]+_[M+NH4]+ UFHNZOACKFBCOM-YXKNDSBASA-N TG(50:5) 842.7245 9.2 [M+NH4]+ AFTBPUXZTDLRSP-UDQIKIEDSA-N TG(50:6) 840.7088 8.8 [M+Na]+_[M+NH4]+ YVQKDEFVOZTZOA-PVNINVEQSA-N TG(51:5) 856.7399 9.46 [M+Na]+_[M+NH4]+ DYYKLAQWCNBXRJ-UNZGPCCPSA-N TG(52:1) 878.8184 11.17 [M+H]+ NPCZZYKITFKRQZ-RFBIWTDZSA-N TG(52:2) 876.803 10.8 [M+H]+ TXMWKTABZBAJCW-QLHBUVOUSA-N TG(52:3) 874.7873 10.43 [M+Na]+_[M+NH4]+ DQXQIWIQYYEGLG-MMWLGPPDSA-N TG(52:5) 870.7562 9.63 [M+Na]+_[M+NH4]+ CQZAAIKPSLHIBC-KDJOUNIJSA-N TG(52:6) 873.6953 9.32 [M+Na]+_[M+NH4]+ SSOSFUDNINFYLJ-KIYGNKBKSA-N TG(53:3) 888.8027 10.63 [M+H]+ ZNQBEJJYVJSZLM-LEDQTTRKSA-N TG(54:1) 911.8041 11.54 [M+Na]+_[M+NH4]+ YFFIQXNTTVSKJC-NZEOUKRFSA-N TG(54:2) 904.8342 11.16 [M+NH4]+ WUUWGORPQFKFQN-XDVOZUNOSA-N TG(54:3) 902.8184 10.81 [M+Na]+_[M+NH4]+ PHYFQTYBJUILEZ-IUPFWZBJSA-N TG(54:4) 900.8029 10.45 [M+NH4]+ BRLGHZXETDWABO-NOFIOOQLSA-N TG(54:6) 896.7717 9.71 [M+Na]+_[M+NH4]+ HBOQXIRUPVQLKX-BBWANDEASA-N TG(54:7) 894.7555 9.32 [M+NH4]+ UZASWWZMQWHPMB-WYRIXQAXSA-N TG(54:8) 892.7405 8.92 [M+Na]+_[M+NH4]+ BMPVTDWOWBNPJU-NYRSPQLFSA-N TG(56:1) 934.8815 11.85 [M+H]+ OCYFAHIHWCVZKS-FHSLLVMSSA-N TG(56:2) 937.8209 11.54 [M+Na]+ PDEQUPGHMOMBFC-FYEHETCMSA-N TG(56:3) 930.8498 11.17 [M+Na]+_[M+NH4]+ QXMHHXQBBKDSSL-BAQZNRHJSA-N TG(56:4) 928.8339 10.83 [M+NH4]+ YONCDTJKIZDSKQ-IYASBODOSA-N TG(56:5) 926.8185 10.5 [M+Na]+_[M+NH4]+ UHEJWASONFIROS-YPSHDQQVSA-N TG(56:6) 924.8026 10.27 [M+NH4]+ ZTNDRFCABXFVMY-WJTCTALZSA-N TG(56:7) 922.787 9.81 [M+Na]+_[M+NH4]+ DODZUDCYRVWEOJ-GKZBLMSTSA-N TG(58:2) 960.8966 11.85 [M+Na]+_[M+NH4]+ NFQQJRGJJVQGAV-MEADVOAOSA-N? TG(58:3) 963.8362 11.54 [M+Na]+ RFMSTHTUAZETPD-JJPHLYBUSA-N TG(58:4) 956.8658 11.19 [M+Na]+_[M+NH4]+ CCKRHDUCFMOBKX-AAINFQTBSA-N TG(58:5) 959.8051 10.89 [M+Na]+ DRIXOWJDAWZQDB-IBPDSFNJSA-N TG(58:6) 957.7888 10.59 [M+Na]+ GSNFRUMSEHHPSY-LCXCSEBNSA-N TG(60:3) 986.9138 11.81 [M+Na]+_[M+NH4]+ IJOXAPFYWITIHW-KUBXGBLDSA-N TG(60:4) 984.8974 11.54 [M+Na]+_[M+NH4]+ WECVQMVSEHWZQR-ULZSGHTGSA-N TG(60:5) 982.8839 11.24 [M+NH4]+ UAZSECASKQJKIA-XUBMUDRRSA-N TG(60:6) 985.8231 10.96 [M+Na]+_[M+NH4]+ ZMJSZQBPVUGYMY-KUCWVPRQSA-N TG(62:4) 1012.9283 11.84 [M+NH4]+ AHXIACCOHSVLRP-ULZSGHTGSA-N METABOLITES_END #END