#METABOLOMICS WORKBENCH makita_20250522_061408 DATATRACK_ID:5936 STUDY_ID:ST003958 ANALYSIS_ID:AN006505 PROJECT_ID:PR002481 VERSION 1 CREATED_ON June 10, 2025, 1:24 pm #PROJECT PR:PROJECT_TITLE Comprehensive lipidomic analysis of six Hevea species and varieties related to PR:PROJECT_TITLE latex biosynthesis PR:PROJECT_SUMMARY In this study, we performed lipidomic profiling of latex from Hevea brasiliensis PR:PROJECT_SUMMARY RRIM600 and five Hevea species or varieties of similar age: H. guianensis, H. PR:PROJECT_SUMMARY pauciflora, H. spruceana, H. collina, and H. confusa. Latex samples were PR:PROJECT_SUMMARY analysed by LC-MS/MS, identifying 53 lipid molecules from five major categories PR:PROJECT_SUMMARY and 16 classes. Among these, triacylglycerols (TG), phosphatidic acids (PA), and PR:PROJECT_SUMMARY acylhexosyl sitosterols are major components. Comparative analysis revealed PR:PROJECT_SUMMARY species-specific lipid profiles: H. guianensis and H. confusa exhibited high PA PR:PROJECT_SUMMARY levels comparable to H. brasiliensis, whereas H. pauciflora, H. spruceana, and PR:PROJECT_SUMMARY H. collina showed elevated TG and reduced PA content. Supervised OPLS-DA PR:PROJECT_SUMMARY analysis separated H. brasiliensis from the other species and identified 18 PR:PROJECT_SUMMARY differentially abundant lipid molecules, including increased diacylglycerols and PR:PROJECT_SUMMARY phosphatidic acids, and decreased hexosylceramides. These patterns may reflect PR:PROJECT_SUMMARY underlying metabolic divergence with potential implications for latex PR:PROJECT_SUMMARY composition and rubber biosynthesis. The dataset provides new insights into PR:PROJECT_SUMMARY interspecific lipidome variation in Hevea and offers a valuable resource for PR:PROJECT_SUMMARY future studies on lipid function in latex physiology and rubber properties. PR:INSTITUTE Maebashi Institute of Technology PR:DEPARTMENT Faculty of Engineering PR:LABORATORY Laboratory of Omics Science PR:LAST_NAME Makita PR:FIRST_NAME Yuko PR:ADDRESS 460-1 Kamisadori-cho, Maebashi, Gunma, 371-0816, Japan PR:EMAIL makita@maebashi-it.ac.jp PR:PHONE +81-27-265-7366 PR:CONTRIBUTORS Nyok-Sean Lau, miko Okubo-Kurihara, Minami Matsui #STUDY ST:STUDY_TITLE Comprehensive lipidomic analysis of six Hevea species and varieties related to ST:STUDY_TITLE latex biosynthesis ST:STUDY_SUMMARY Latex, the raw material of natural rubber, is harvested from Hevea brasiliensis. ST:STUDY_SUMMARY Although there are related species within the Hevea genus, their latex is not ST:STUDY_SUMMARY suitable for product use due to its physicochemical properties. In this ST:STUDY_SUMMARY analysis, we focused on lipidomics to perform a comparative analysis aimed at ST:STUDY_SUMMARY identifying some of the factors underlying these differences. ST:INSTITUTE Maebashi Institute of Technology ST:LAST_NAME Yuko ST:FIRST_NAME Makita ST:ADDRESS 460-1 Kamisadori-cho, Maebashi, Gunma 371-0816 Japan ST:EMAIL makita@maebashi-it.ac.jp ST:PHONE +81-27-265-7366 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Hevea SU:TAXONOMY_ID 3980 (genus Hevea) SU:SPECIES_GROUP Taxonomy_id (species): 1318718 (Hevea spruceana), 3981 (Hevea brasiliensis and SU:SPECIES_GROUP Hevea brasiliensis strain:RRIM 600), 882917 (Hevea guianensis var. guianensis), SU:SPECIES_GROUP 882917 (Hevea guianensis var. collina), 1318717 (Hevea pauciflora), 1318717 SU:SPECIES_GROUP (Hevea confusa is a synonym of Hevea pauciflora var. coriacea) #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 - 01_Hspruceana1 Sample source:Latex | Species:H. spruceana RAW_FILE_NAME(Raw file name)=01_Hspruceana1_n.raw,01_Hspruceana1_p.raw SUBJECT_SAMPLE_FACTORS - 02_Hspruceana2 Sample source:Latex | Species:H. spruceana RAW_FILE_NAME(Raw file name)=02_Hspruceana2_n.raw,02_Hspruceana2_p.raw SUBJECT_SAMPLE_FACTORS - 03_Hspruceana3 Sample source:Latex | Species:H. spruceana RAW_FILE_NAME(Raw file name)=03_Hspruceana3_n.raw,03_Hspruceana3_p.raw SUBJECT_SAMPLE_FACTORS - 04_Hconfusa1 Sample source:Latex | Species:H. confusa RAW_FILE_NAME(Raw file name)=04_Hconfusa1_n.raw,04_Hconfusa1_p.raw SUBJECT_SAMPLE_FACTORS - 05_Hconfusa2 Sample source:Latex | Species:H. confusa RAW_FILE_NAME(Raw file name)=05_Hconfusa2_n.raw,05_Hconfusa2_p.raw SUBJECT_SAMPLE_FACTORS - 06_Hconfusa3 Sample source:Latex | Species:H. confusa RAW_FILE_NAME(Raw file name)=06_Hconfusa3_n.raw,06_Hconfusa3_p.raw SUBJECT_SAMPLE_FACTORS - 07_Hcollina1 Sample source:Latex | Species:H. collina RAW_FILE_NAME(Raw file name)=07_Hcollina1_n.raw,07_Hcollina1_p.raw SUBJECT_SAMPLE_FACTORS - 08_Hcollina1 Sample source:Latex | Species:H. collina RAW_FILE_NAME(Raw file name)=08_Hcollina1_n.raw,08_Hcollina1_p.raw SUBJECT_SAMPLE_FACTORS - 09_Hcollina1 Sample source:Latex | Species:H. collina RAW_FILE_NAME(Raw file name)=09_Hcollina1_n.raw,09_Hcollina1_p.raw SUBJECT_SAMPLE_FACTORS - 10_RRIM600R1 Sample source:Latex | Species:H. brasiliensis RRIM 600 RAW_FILE_NAME(Raw file name)=10_RRIM600R1_n.raw,10_RRIM600R1_p.raw SUBJECT_SAMPLE_FACTORS - 11_RRIM600R2 Sample source:Latex | Species:H. brasiliensis RRIM 600 RAW_FILE_NAME(Raw file name)=11_RRIM600R2_n.raw,11_RRIM600R2_p.raw SUBJECT_SAMPLE_FACTORS - 12_RRIM600R3 Sample source:Latex | Species:H. brasiliensis RRIM 600 RAW_FILE_NAME(Raw file name)=12_RRIM600R3_n.raw,12_RRIM600R3_p.raw SUBJECT_SAMPLE_FACTORS - 13_HguianensisR1 Sample source:Latex | Species:H. guianensis RAW_FILE_NAME(Raw file name)=13_HguianesisR1_n.raw,13_HguianesisR1_p.raw SUBJECT_SAMPLE_FACTORS - 14_HguianensisR2 Sample source:Latex | Species:H. guianensis RAW_FILE_NAME(Raw file name)=14_HguianesisR2_n.raw,14_HguianesisR2_p.raw SUBJECT_SAMPLE_FACTORS - 15_HguianensisR3 Sample source:Latex | Species:H. guianensis RAW_FILE_NAME(Raw file name)=15_HguianesisR3_n.raw,15_HguianesisR3_p.raw SUBJECT_SAMPLE_FACTORS - 19_Hpauciflora1 Sample source:Latex | Species:H. pauciflora RAW_FILE_NAME(Raw file name)=19_Hpauciflora1_n.raw,19_Hpauciflora1_p.raw SUBJECT_SAMPLE_FACTORS - 20_Hpauciflora2 Sample source:Latex | Species:H. pauciflora RAW_FILE_NAME(Raw file name)=20_Hpauciflora2_n.raw,20_Hpauciflora2_p.raw SUBJECT_SAMPLE_FACTORS - 21_Hpauciflora3 Sample source:Latex | Species:H. pauciflora RAW_FILE_NAME(Raw file name)=21_Hpauciflora3_n.raw,21_Hpauciflora3_p.raw #COLLECTION CO:COLLECTION_SUMMARY All samples used in this study were obtained from mature, seven-year-old H. CO:COLLECTION_SUMMARY brasiliensis and other Hevea species grown at the same location within the CO:COLLECTION_SUMMARY plantation of the Rubber Research Institute of Indonesia. Latex samples were CO:COLLECTION_SUMMARY harvested for lipidomic analyses. To standardize latex sampling, each tree was CO:COLLECTION_SUMMARY tapped once on the same morning, and 2 mL of latex was collected immediately CO:COLLECTION_SUMMARY after tapping. The trees are maintained as a species collection for research CO:COLLECTION_SUMMARY purposes; they were not part of a commercial plantation and thus were not CO:COLLECTION_SUMMARY regularly tapped. CO:SAMPLE_TYPE Latex CO:COLLECTION_METHOD Tapping CO:COLLECTION_LOCATION Sembawa, Indonesia #TREATMENT TR:TREATMENT_SUMMARY No special treatment was applied other than sample preparation. TR:PLANT_GROWTH_SUPPORT seven-year-old TR:PLANT_GROWTH_LOCATION Sembawa, Indonesia #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 100 µL of chloroform was added to 1 mg of latex samples, followed by shaking, SP:SAMPLEPREP_SUMMARY sonication, and centrifugation. Methanol was then added to 50 µL of the SP:SAMPLEPREP_SUMMARY supernatant, stirred, and centrifuged again, and the supernatant was collected. SP:SAMPLEPREP_SUMMARY Lysophosphatidylcholine (18:1-d7) was added as an internal standard at a final SP:SAMPLEPREP_SUMMARY concentration of 500 ng/mL, and the sample was analysed using LC-MS/MS. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Chromatographic separation was achieved using an L-column3 C18 metal-free column CH:CHROMATOGRAPHY_SUMMARY (2.0 mm I.D. × 100 mm, 2 µm particle size; CERI). Solvent A: 59% ultrapure CH:CHROMATOGRAPHY_SUMMARY water; 40% acetonitrile; 1% 1 M ammonium formate solution; 0.1% formic acid. CH:CHROMATOGRAPHY_SUMMARY Solvent B: 90% 2-propanol; 9% acetonitrile; 1% 1 M ammonium formate CH:CHROMATOGRAPHY_SUMMARY solution;0.1% formic acid. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 RS CH:COLUMN_NAME CERI L-column3 C18 Metal-Free column (100 x 2mm, 2µm) CH:SOLVENT_A 60% water/40% acetonitrile; 10 mM ammonium formate solution; 0.1% formic acid CH:SOLVENT_B 90% Isopropanol/10% acetonitrile; 10mM ammonium formate;0.1% formic acid CH:FLOW_GRADIENT Time (min):%B: 0.0:25, 0.5:25, 6.5:60, 21.5:90, 22.0:99, 26.0:99, 26.1:25, CH:FLOW_GRADIENT 35.0:25 CH:FLOW_RATE 0.2 mL/min CH:COLUMN_TEMPERATURE 55℃ #ANALYSIS AN:ANALYSIS_TYPE MS AN:SOFTWARE_VERSION MS-DIAL Ver.4.80 #MS MS:INSTRUMENT_NAME Thermo LTQ XL MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Data analysis, including peak detection, lipid species estimation within each MS:MS_COMMENTS class, and sample alignment, was conducted using MS-DIAL (v4.80). Lipid peaks MS:MS_COMMENTS were considered detected if they met the following criteria: peak height in QC MS:MS_COMMENTS samples ≥10,000; peak area at least twice that of the operational blank; MS:MS_COMMENTS average signal-to-noise ratio ≥3; and consistent detection across all QC MS:MS_COMMENTS measurements with a coefficient of variation <20%. The lipid content was MS:MS_COMMENTS determined relative to an internal standard by comparing the analyte peak area. MS:MS_COMMENTS OPLS-DA was performed using the R package ropls (v1.39.0) to estimate lipid MS:MS_COMMENTS differences between H. brasiliensis and other Hevea species. Lipid abundances MS:MS_COMMENTS were log-transformed prior to analysis. Variable importance in projection values MS:MS_COMMENTS were obtained from ropls, and p-values were calculated using a two-sample MS:MS_COMMENTS t-test. MS:MS_RESULTS_FILE ST003958_AN006505_Results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples 01_Hspruceana1 02_Hspruceana2 03_Hspruceana3 04_Hconfusa1 05_Hconfusa2 06_Hconfusa3 07_Hcollina1 08_Hcollina1 09_Hcollina1 10_RRIM600R1 11_RRIM600R2 12_RRIM600R3 13_HguianensisR1 14_HguianensisR2 15_HguianensisR3 19_Hpauciflora1 20_Hpauciflora2 21_Hpauciflora3 Factors Sample source:Latex | Species:H. spruceana Sample source:Latex | Species:H. spruceana Sample source:Latex | Species:H. spruceana Sample source:Latex | Species:H. confusa Sample source:Latex | Species:H. confusa Sample source:Latex | Species:H. confusa Sample source:Latex | Species:H. collina Sample source:Latex | Species:H. collina Sample source:Latex | Species:H. collina Sample source:Latex | Species:H. brasiliensis RRIM 600 Sample source:Latex | Species:H. brasiliensis RRIM 600 Sample source:Latex | Species:H. brasiliensis RRIM 600 Sample source:Latex | Species:H. guianensis Sample source:Latex | Species:H. guianensis Sample source:Latex | Species:H. guianensis Sample source:Latex | Species:H. pauciflora Sample source:Latex | Species:H. pauciflora Sample source:Latex | Species:H. pauciflora ASG 29:1;O;Hex;FA 16:0 3337234 2161837 5635086 3048520 6657622 4109105 488345 2144415 5066416 6062026 4297448 5571286 1615318 1172602 514588 2111017 2463403 9491155 ASG 29:1;O;Hex;FA 18:0 13424987 10485208 21026154 8158493 27173328 18585544 2080510 5348606 20386076 26416102 22350562 20118360 7141179 7149176 3493526 9929165 10314086 34524120 ASG 29:1;O;Hex;FA 18:1 7333716 5580506 9702538 5919221 9989387 17853338 1633638 3166012 8171876 22070802 20256208 17968876 3908687 3282056 2262871 5473166 7993258 15862120 ASG 29:1;O;Hex;FA 18:2 7912810 8228347 11234300 5507788 12073405 16494412 1819434 3004757 8215288 13354175 10561577 13332963 5513494 3099667 2139145 3530910 4867595 21232256 ASG 29:1;O;Hex;FA 18:3 482097 1049414 1144114 215243 713211 971769 194530 353063 796116 661444 738742 772368 857884 382719 138737 478403 826624 1443736 ASG 29:1;O;Hex;FA 20:0 11042026 9713472 16199772 7708277 20335302 16925644 2028668 3595244 16239041 21564782 18887376 17437242 5777006 6461882 3643557 8600791 6885906 26818874 ASG 29:1;O;Hex;FA 20:2 5320938 6617170 8284402 3959394 8038289 12534528 1312132 1885208 4630516 10236356 8602744 10953653 3281019 2072092 1576024 2704862 4247810 14241212 ASG 29:1;O;Hex;FA 20:4 494785 980509 963990 520277 907291 2322034 661980 603193 1507675 379026 502616 1104176 2933906 604165 494067 437314 288565 3232298 ASG 29:1;O;Hex;FA 22:2 53041 213611 137 477101 428360 638562 811726 2741057 1395172 319152 245369 497852 2213169 464097 825327 2147928 4119631 501299 ASG 29:2;O;Hex;FA 18:2 803798 843585 1029101 206784 656612 1127408 124844 306969 506860 488637 445405 774898 303535 205756 115931 233996 363890 2194889 Cer 18:1;3O/22:0;(2OH) 377612 0 901797 188518 1017618 547734 105658 402745 806815 27303 50210 0 371579 232120 33189 45043 0 1504434 Cer 18:0;3O/23:0;(2OH) 1810568 226000 2921579 335241 1829113 1457544 129139 383524 2647030 912594 1292155 663403 272049 326403 151227 249685 156379 3857258 Cer 18:1;3O/23:0;(2OH) 617690 202821 1142135 179493 986059 836050 61885 213609 545704 291983 195327 153581 157944 201310 33765 139973 352925 1653794 Cer 18:0;3O/24:0;(2OH) 7289244 1414890 13688548 1632310 8239856 5892454 1060655 2521344 8397848 3533105 4442328 3506239 2452674 2766300 1074650 1421290 1197746 22897576 Cer 18:1;3O/24:0;(2OH) 1929526 214836 5082100 976442 4586010 2855648 649501 1726179 2850493 369373 464027 347950 1483048 1478434 331950 600449 374196 9708559 Cer 18:0;3O/25:0;(2OH) 1704476 222040 2724657 405125 1635962 1301202 142618 365877 1707921 1205617 1224384 1019827 294468 505572 147425 235728 186794 4965982 DG 18:0_18:1 265846 2332711 76496 324043 393126 261824 77386 72544 394938 2688253 1795294 1834462 117101 233933 0 463966 2379274 574731 DG 18:0_18:2 963265 5838663 263797 948745 1357303 435330 472018 348566 834612 4498346 3136848 3722606 518595 786567 8451 1395619 6574265 1298728 DG 18:1_18:2 464313 2813303 171631 481186 486621 209199 323199 273602 356674 2920340 1973124 2268897 314748 207945 0 909162 4596852 781666 DGDG 18:0_18:1 1515078 1768974 131326 1547224 434555 5632430 0 102011 501419 438603 327440 196387 243611 0 13268 1084020 560989 246473 DGDG 18:0_18:2 3244351 4223882 696335 2983198 1073514 7684178 0 503305 782369 951420 609593 403494 943553 29307 0 2478776 1597134 684142 DGDG 18:1_18:2 1479616 1719731 283650 1473609 424239 2861413 0 261740 312792 427387 322038 111755 544642 0 0 1183722 713845 297763 DGDG 18:2_18:2 720764 1018933 135360 529638 231201 1114275 0 43214 0 88311 65644 20030 181845 0 0 339054 189764 129978 DGGA 18:2_18:2 113184 189535 844 165649 85206 1109585 0 0 0 48611 0 0 0 0 0 32913 16510 124185 HexCer 18:1;3O/23:0;(2OH) 1348830 527214 1728980 401446 1497012 898662 197367 892095 1201628 356814 286189 299977 681868 408663 331540 221962 302646 1281745 HexCer 18:1;3O/24:0;(2OH) 5007464 1773737 7456669 1832063 8194158 3054216 1707519 4823033 5467847 1454917 1234425 1258670 3945867 2330975 2118162 1288887 1642611 5547906 HexCer 18:1;3O/25:0;(2OH) 1277126 469680 2026390 449520 1850410 619980 343579 830190 1380543 316124 301885 351502 683568 472179 418457 255578 347207 1180508 HexCer 18:1;3O/26:0;(2OH) 1400295 424528 1908362 523591 2105632 968607 556652 1302124 1616229 375242 239226 351471 1389382 717783 621157 327104 492290 1629394 HexCer 18:2;2O/16:0;O 1385024 267331 1874028 188048 816851 424975 61692 485826 903540 253120 232125 204988 401367 357999 270844 220591 204330 1015123 HexCer 18:2;2O/18:0;O 4475204 1163462 6528970 877772 4231090 1800733 510995 2064021 2425383 1562741 1211476 1061535 1343682 1194223 867229 939887 1171239 4569932 HexCer 18:2;2O/20:0;O 963737 140979 1143113 67299 943976 327168 84108 375038 551543 342408 202405 166823 330935 202186 179730 164258 171842 873285 HexCer 18:2;2O/24:0;O 1274054 439077 1601702 257617 1323340 768056 283489 609396 733824 276812 272617 237246 647160 476015 312821 326768 456502 2023375 LPC 18:1(d7) 29185600 28599132 29599286 27761140 26788168 27125356 28072722 28632112 28152784 27296448 28722236 28435786 27302946 29393300 28011756 27444964 27549356 28553034 ST 29:1;O 436798 123294 945887 194237 912321 93896 366364 1508094 1439308 123808 133599 157682 2658484 557705 367534 103136 107040 899657 TG 16:0_18:1_18:1 5220868 4705638 6743724 4637456 4853310 9217648 2857084 4695180 6245222 4956798 4031477 2918006 3585776 3811264 1752400 5020971 4489840 11257603 TG 16:0_18:1_18:2 13958718 6092684 8977062 6489150 13250263 8212720 3766342 5113168 9770689 5308233 4700820 3849890 3788673 5472290 914239 5758136 6031274 18761016 TG 16:0_18:2_18:2 27908098 8431458 11425131 9143025 21937802 6549769 4291848 4742040 12456413 3924313 3883161 3440475 4419216 6065716 556870 4876551 5241989 25113248 TG 18:0_18:1_18:1 3686056 3746486 6358148 2922411 3947650 8237870 3093043 3048232 5165715 5246703 5221308 2376571 3428464 4188943 672844 4215382 3422782 8684390 TG 18:0_18:1_18:2 18233336 11864911 17811604 10506447 22721722 16036954 8146398 6048812 15795497 12243123 11723720 6754916 9253591 11575600 1213972 8585830 7530616 28613962 TG 18:1_18:1_18:2 43505444 23310620 29863822 21108442 49955380 18263644 12466046 9622391 27120364 14571952 15080035 9816189 17427810 22909702 956686 11942238 11713621 52901036 TG 18:1_18:2_18:2 41932320 25704908 23896388 21977332 48224228 11775207 12783188 7408677 23906150 12352720 14735362 9083196 15797068 20186926 764244 9740908 9769616 41274584 TG 18:2_18:2_18:2 39259000 28217308 19931416 18798928 43490920 6175773 7314084 3836129 15662628 7192521 8777014 6842018 9221671 13745339 447082 5619099 4781086 33853720 TG 18:2_18:2_18:3 10995565 6130548 12119683 3260096 9342478 1031610 906281 1217102 4617989 1623956 1879114 1581093 2625552 3094776 215872 1212198 1018888 5551908 TG 20:0_18:1_18:1 2948623 2489808 4251910 2238344 3826352 5781289 1992784 3103524 4351568 3676852 3232446 1598105 2165538 3146161 266661 3798366 3201293 6624041 TG 20:0_18:1_18:2 8747582 4633261 9376648 7021964 11642320 8790036 6647119 12586302 14977758 6211230 6308636 3209689 7862526 9954852 666987 14482283 12817321 15627638 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Adduct type Reference m/z Formula Ontology Rt(min) Average Mz ASG 29:1;O;Hex;FA 16:0 [M+NH4]+ 832.70251 C51H90O7 AHexSIS 23.6 832.70502 ASG 29:1;O;Hex;FA 18:0 [M+NH4]+ 860.73383 C53H94O7 AHexSIS 24.5 860.72986 ASG 29:1;O;Hex;FA 18:1 [M+NH4]+ 858.71808 C53H92O7 AHexSIS 23.7 858.72021 ASG 29:1;O;Hex;FA 18:2 [M+NH4]+ 856.70251 C53H90O7 AHexSIS 23 856.69861 ASG 29:1;O;Hex;FA 18:3 [M+NH4]+ 854.68683 C53H88O7 AHexSIS 22.2 854.6842 ASG 29:1;O;Hex;FA 20:0 [M+NH4]+ 888.76508 C55H98O7 AHexSIS 24.5 888.76038 ASG 29:1;O;Hex;FA 20:2 [M+NH4]+ 884.73383 C55H94O7 AHexSIS 23 884.72968 ASG 29:1;O;Hex;FA 20:4 [M+NH4]+ 880.70251 C55H90O7 AHexSIS 22.4 880.69672 ASG 29:1;O;Hex;FA 22:2 [M+NH4]+ 912.76508 C57H98O7 AHexSIS 22.5 912.73029 ASG 29:2;O;Hex;FA 18:2 [M+NH4]+ 854.68683 C53H88O7 AHexSTS 22.6 854.6842 Cer 18:1;3O/22:0;(2OH) [M+H]+ 654.60309 C40H79NO5 Cer_AP 21 654.60193 Cer 18:0;3O/23:0;(2OH) [M+H]+ 670.6344 C41H83NO5 Cer_AP 22.2 670.63458 Cer 18:1;3O/23:0;(2OH) [M+H]+ 668.61877 C41H81NO5 Cer_AP 21.7 668.61804 Cer 18:0;3O/24:0;(2OH) [M+H]+ 684.65009 C42H85NO5 Cer_AP 22.7 684.65009 Cer 18:1;3O/24:0;(2OH) [M+H]+ 682.6344 C42H83NO5 Cer_AP 22.2 682.63074 Cer 18:0;3O/25:0;(2OH) [M+H]+ 698.66571 C43H87NO5 Cer_AP 23.2 698.6629 DG 18:0_18:1 [M+NH4]+ 640.58752 C39H74O5 DG 22.6 640.58679 DG 18:0_18:2 [M+NH4]+ 638.57178 C39H72O5 DG 21.7 638.57007 DG 18:1_18:2 [M+NH4]+ 636.55621 C39H70O5 DG 20.7 636.5567 DGDG 18:0_18:1 [M+NH4]+ 964.69312 C51H94O15 DGDG 19.6 964.69165 DGDG 18:0_18:2 [M+NH4]+ 962.67743 C51H92O15 DGDG 18.7 962.67969 DGDG 18:1_18:2 [M+NH4]+ 960.6618 C51H90O15 DGDG 17.6 960.66272 DGDG 18:2_18:2 [M+NH4]+ 958.64612 C51H88O15 DGDG 16.6 958.64093 DGGA 18:2_18:2 [M+NH4]+ 810.57257 C45H76O11 DGGA 16.9 810.56793 HexCer 18:1;3O/23:0;(2OH) [M+H]+ 830.67157 C47H91NO10 HexCer_AP 20.5 830.66595 HexCer 18:1;3O/24:0;(2OH) [M+H]+ 844.68719 C48H93NO10 HexCer_AP 21.1 844.68994 HexCer 18:1;3O/25:0;(2OH) [M+H]+ 858.70288 C49H95NO10 HexCer_AP 21.7 858.70117 HexCer 18:1;3O/26:0;(2OH) [M+H]+ 872.71851 C50H97NO10 HexCer_AP 22.2 872.71313 HexCer 18:2;2O/16:0;O [M+H-H2O]+ 696.54089 C40H75NO9 HexCer_HS 16.4 696.53961 HexCer 18:2;2O/18:0;O [M+H-H2O]+ 724.5722 C42H79NO9 HexCer_HS 17.8 724.57166 HexCer 18:2;2O/20:0;O [M+H-H2O]+ 752.60352 C44H83NO9 HexCer_HS 19.1 752.60364 HexCer 18:2;2O/24:0;O [M+H-H2O]+ 808.66608 C48H91NO9 HexCer_HS 21.5 808.66174 LPC 18:1(d7) [M+H]+ 529.39935 C26H45D7NO7P LPC 9.2 529.39789 ST 29:1;O [M+H-H2O]+ 397.3829 C29H50O ST 14.5 397.38177 TG 16:0_18:1_18:1 [M+NH4]+ 876.80151 C55H102O6 TG 27.9 876.79919 TG 16:0_18:1_18:2 [M+NH4]+ 874.78583 C55H100O6 TG 27.5 874.78192 TG 16:0_18:2_18:2 [M+NH4]+ 872.7702 C55H98O6 TG 27 872.77161 TG 18:0_18:1_18:1 [M+NH4]+ 904.83282 C57H106O6 TG 28.2 904.83246 TG 18:0_18:1_18:2 [M+NH4]+ 902.81708 C57H104O6 TG 27.9 902.82025 TG 18:1_18:1_18:2 [M+NH4]+ 900.80151 C57H102O6 TG 27.5 900.80444 TG 18:1_18:2_18:2 [M+NH4]+ 898.78583 C57H100O6 TG 27.1 898.78528 TG 18:2_18:2_18:2 [M+NH4]+ 896.7702 C57H98O6 TG 26.6 896.77283 TG 18:2_18:2_18:3 [M+NH4]+ 894.75452 C57H96O6 TG 26 894.76715 TG 20:0_18:1_18:1 [M+NH4]+ 932.86407 C59H110O6 TG 28.2 932.86328 TG 20:0_18:1_18:2 [M+NH4]+ 930.84839 C59H108O6 TG 27.9 930.84271 METABOLITES_END #END