#METABOLOMICS WORKBENCH Brodesser_20221121_022843 DATATRACK_ID:3588 STUDY_ID:ST002360 ANALYSIS_ID:AN003854 PROJECT_ID:PR001515 VERSION 1 CREATED_ON November 23, 2022, 7:14 am #PROJECT PR:PROJECT_TITLE Quantitative proteomics and lipidomics of TFG-deficient B cells provide insights PR:PROJECT_TITLE into mechanisms of autophagic flux and plasma cell biology PR:PROJECT_SUMMARY The autophagy-flux-promoting protein TFG (Trk-fused gene) is up-regulated during PR:PROJECT_SUMMARY B cell differentiation into plasma cells and supports survival of CH12 B cells. PR:PROJECT_SUMMARY We hypothesized that quantitative proteomics analysis of CH12tfgKO B cells with PR:PROJECT_SUMMARY intact or blocked autophagy-lysosome flux (via NH4Cl) will identify mechanisms PR:PROJECT_SUMMARY of TFG-dependent autophagy, plasma cell biology and B cell survival. Analysis of PR:PROJECT_SUMMARY CH12WT B cells in the presence of NH4Cl will identify proteins whose presence is PR:PROJECT_SUMMARY continuously regulated by lysosomes independent of TFG. We determined hundreds PR:PROJECT_SUMMARY of proteins to be controlled by TFG and/or NH4Cl. Notably, NH4Cl treatment alone PR:PROJECT_SUMMARY increased the abundance of a cluster of cytosolic and mitochondrial PR:PROJECT_SUMMARY translational proteins while it also reduced a number of proteins. Within the B PR:PROJECT_SUMMARY cell relevant protein pool, BCL10 was reduced, while JCHAIN was increased in PR:PROJECT_SUMMARY CH12tfgKO B cells. Furthermore, TFG regulated the abundance of transcription PR:PROJECT_SUMMARY factors, such as JUNB, metabolic enzymes, such as the short-chain fatty acid PR:PROJECT_SUMMARY activating enzyme ACOT9 or the glycolytic enzyme ALDOC. Gene ontology enrichment PR:PROJECT_SUMMARY analysis revealed that TFG-regulated proteins localized to mitochondria and PR:PROJECT_SUMMARY membrane-bounded organelles. Due to these findings we performed shotgun PR:PROJECT_SUMMARY lipidomics of glycerophospholipids, uncovering that a particular PR:PROJECT_SUMMARY phosphatidylethanolamine (PE) species, PE 32:0, which lipidates LC3 most PR:PROJECT_SUMMARY efficiently, was less abundant while phosphatidylglycerol (PG) was more abundant PR:PROJECT_SUMMARY in CH12tfgKO B cells. In line with the role of PG as precursor for Cardiolipin PR:PROJECT_SUMMARY (CL), the CL content was higher in CH12tfgKO B cells and addition of PG PR:PROJECT_SUMMARY liposomes to B cells increased the amount of CL. We propose a role for TFG in B PR:PROJECT_SUMMARY cell activation and plasma cell biology via regulation of proteins involved in PR:PROJECT_SUMMARY germinal center and plasma cell development, such as BCL10 or JCHAIN, as well as PR:PROJECT_SUMMARY in lipid homeostasis, mitochondria and metabolism. PR:INSTITUTE Friedrich-Alexander-Universität (FAU) Erlangen-Nürnberg PR:DEPARTMENT Division of Molecular Immunology, Department of Internal Medicine 3, PR:DEPARTMENT Nikolaus-Fiebiger-Zentrum PR:LAST_NAME Mielenz PR:FIRST_NAME Dirk PR:ADDRESS Glückstr. 6, 91054 Erlangen, Germany PR:EMAIL dirk.mielenz@fau.de PR:PHONE +49 9131 85 39105 PR:CONTRIBUTORS Tobit D. Steinmetz, Lena Reimann, Sebastian R. Schulz, Sophia Urbanczyk, Jana PR:CONTRIBUTORS Thomas, Ann-Kathrin Himmelreich, Florian Golombek, Kathrin Castiglione, Susanne PR:CONTRIBUTORS Brodesser, Bettina Warscheid, Dirk Mielenz #STUDY ST:STUDY_TITLE Quantitative lipidomics of TFG-deficient B cells ST:STUDY_SUMMARY The autophagy-flux-promoting protein TFG (Trk-fused gene) is up-regulated during ST:STUDY_SUMMARY B cell differentiation into plasma cells and supports survival of CH12 B cells. ST:STUDY_SUMMARY We hypothesized that quantitative proteomics analysis of CH12tfgKO B cells with ST:STUDY_SUMMARY intact or blocked autophagy-lysosome flux (via NH4Cl) will identify mechanisms ST:STUDY_SUMMARY of TFG-dependent autophagy, plasma cell biology and B cell survival. Analysis of ST:STUDY_SUMMARY CH12WT B cells in the presence of NH4Cl will identify proteins whose presence is ST:STUDY_SUMMARY continuously regulated by lysosomes independent of TFG. We determined hundreds ST:STUDY_SUMMARY of proteins to be controlled by TFG and/or NH4Cl. Notably, NH4Cl treatment alone ST:STUDY_SUMMARY increased the abundance of a cluster of cytosolic and mitochondrial ST:STUDY_SUMMARY translational proteins while it also reduced a number of proteins. Within the B ST:STUDY_SUMMARY cell relevant protein pool, BCL10 was reduced, while JCHAIN was increased in ST:STUDY_SUMMARY CH12tfgKO B cells. Furthermore, TFG regulated the abundance of transcription ST:STUDY_SUMMARY factors, such as JUNB, metabolic enzymes, such as the short-chain fatty acid ST:STUDY_SUMMARY activating enzyme ACOT9 or the glycolytic enzyme ALDOC. Gene ontology enrichment ST:STUDY_SUMMARY analysis revealed that TFG-regulated proteins localized to mitochondria and ST:STUDY_SUMMARY membrane-bounded organelles. Due to these findings we performed shotgun ST:STUDY_SUMMARY lipidomics of glycerophospholipids, uncovering that a particular ST:STUDY_SUMMARY phosphatidylethanolamine (PE) species, PE 32:0, which lipidates LC3 most ST:STUDY_SUMMARY efficiently, was less abundant while phosphatidylglycerol (PG) was more abundant ST:STUDY_SUMMARY in CH12tfgKO B cells. In line with the role of PG as precursor for Cardiolipin ST:STUDY_SUMMARY (CL), the CL content was higher in CH12tfgKO B cells and addition of PG ST:STUDY_SUMMARY liposomes to B cells increased the amount of CL. We propose a role for TFG in B ST:STUDY_SUMMARY cell activation and plasma cell biology via regulation of proteins involved in ST:STUDY_SUMMARY germinal center and plasma cell development, such as BCL10 or JCHAIN, as well as ST:STUDY_SUMMARY in lipid homeostasis, mitochondria and metabolism. ST:INSTITUTE University of Cologne ST:DEPARTMENT Faculty of Medicine and University Hospital of Cologne, Cluster of Excellence ST:DEPARTMENT Cellular Stress Responses in Aging-associated Diseases (CECAD) ST:LABORATORY CECAD Lipidomics/Metabolomics Facility ST:LAST_NAME Brodesser ST:FIRST_NAME Susanne ST:ADDRESS Joseph-Stelzmann-Str. 26, 50931 Cologne, Germany ST:EMAIL susanne.brodesser@uk-koeln.de ST:PHONE +49 221 478 84015 ST:NUM_GROUPS 2 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - S01_B.cells_tfgWT_1B2 Genotype:tfgWT RAW_FILE_NAME=S01_B.cells_tfgWT_1B2.mzML SUBJECT_SAMPLE_FACTORS - S02_B.cells_tfgWT_3A4 Genotype:tfgWT RAW_FILE_NAME=S02_B.cells_tfgWT_3A4.mzML SUBJECT_SAMPLE_FACTORS - S03_B.cells_tfgWT_4A1 Genotype:tfgWT RAW_FILE_NAME=S03_B.cells_tfgWT_4A1.mzML SUBJECT_SAMPLE_FACTORS - S04_B.cells_tfgWT_4A5 Genotype:tfgWT RAW_FILE_NAME=S04_B.cells_tfgWT_4A5.mzML SUBJECT_SAMPLE_FACTORS - S05_B.cells_tfgWT_4C4 Genotype:tfgWT RAW_FILE_NAME=S05_B.cells_tfgWT_4C4.mzML SUBJECT_SAMPLE_FACTORS - S06_B.cells_tfgWT_2H2 Genotype:tfgWT RAW_FILE_NAME=S06_B.cells_tfgWT_2H2.mzML SUBJECT_SAMPLE_FACTORS - S07_B.cells_tfgWT_4C1 Genotype:tfgWT RAW_FILE_NAME=S07_B.cells_tfgWT_4C1.mzML SUBJECT_SAMPLE_FACTORS - S08_B.cells_tfgKO_1C11 Genotype:tfgKO RAW_FILE_NAME=S08_B.cells_tfgKO_1C11.mzML SUBJECT_SAMPLE_FACTORS - S09_B.cells_tfgKO_2D2 Genotype:tfgKO RAW_FILE_NAME=S09_B.cells_tfgKO_2D2.mzML SUBJECT_SAMPLE_FACTORS - S10_B.cells_tfgKO_3C6 Genotype:tfgKO RAW_FILE_NAME=S10_B.cells_tfgKO_3C6.mzML SUBJECT_SAMPLE_FACTORS - S11_B.cells_tfgKO_3D1 Genotype:tfgKO RAW_FILE_NAME=S11_B.cells_tfgKO_3D1.mzML SUBJECT_SAMPLE_FACTORS - S12_B.cells_tfgKO_3G7 Genotype:tfgKO RAW_FILE_NAME=S12_B.cells_tfgKO_3G7.mzML SUBJECT_SAMPLE_FACTORS - S13_B.cells_tfgKO_1A7 Genotype:tfgKO RAW_FILE_NAME=S13_B.cells_tfgKO_1A7.mzML SUBJECT_SAMPLE_FACTORS - S14_B.cells_tfgKO_1E10 Genotype:tfgKO RAW_FILE_NAME=S14_B.cells_tfgKO_1E10.mzML #COLLECTION CO:COLLECTION_SUMMARY CH12tfgWT and CH12tfgKO B cells (Steinmetz et al. 2021, Autophagy CO:COLLECTION_SUMMARY 17(9):2238-2256) were cultured in R10 medium (RPMI1640 [Gibco Life Technologies, CO:COLLECTION_SUMMARY 31870-025], 10% FCS, 2 mM glutamate [Gibco Life Technologies, 25030-024], 1 mM CO:COLLECTION_SUMMARY sodium pyruvate [Gibco Life Technologies, 11360-039], 50 U/ml penicillin G, 50 CO:COLLECTION_SUMMARY μg/ml streptomycin [Gibco Life Technologies, 15140-122], 50 μM CO:COLLECTION_SUMMARY β-mercaptoethanol [Gibco Life Technologies, 31350-010]) at 37°C and 5% CO2. CO:SAMPLE_TYPE CH12 B lymphoma cells #TREATMENT TR:TREATMENT_SUMMARY The cells have not undergone any further treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Glycerophospholipids (PC, PE, PI, PS, PG, PA) in B cells were analyzed by SP:SAMPLEPREP_SUMMARY Nano-Electrospray Ionization Tandem Mass Spectrometry (Nano-ESI-MS/MS) with SP:SAMPLEPREP_SUMMARY direct infusion of the lipid extract (Shotgun Lipidomics): 14 to 45 million SP:SAMPLEPREP_SUMMARY cells were homogenized in 300 µl of Milli-Q water using the Precellys 24 SP:SAMPLEPREP_SUMMARY Homogenisator (Peqlab, Erlangen, Germany) at 6.500 rpm for 30 sec. The protein SP:SAMPLEPREP_SUMMARY content of the homogenate was routinely determined using bicinchoninic acid. To SP:SAMPLEPREP_SUMMARY 100 µl of the homogenate 400 µl of Milli-Q water, 1.875 ml of SP:SAMPLEPREP_SUMMARY methanol/chloroform 2:1 (v/v) and internal standards (125 pmol PC 17:0-20:4, 132 SP:SAMPLEPREP_SUMMARY pmol PE 17:0-20:4, 118 pmol PI 17:0-20:4, 131 pmol PS 17:0-20:4, 62 pmol PG SP:SAMPLEPREP_SUMMARY 17:0/20:4, 75 pmol PA 17:0/20:4; Avanti Polar Lipids) were added. Lipids were SP:SAMPLEPREP_SUMMARY extracted using the “One-Step Extraction” as described in Özbalci et al. SP:SAMPLEPREP_SUMMARY 2013, Methods Mol Biol 1033:3-20. Dried lipid extracts were dissolved in 300 μl SP:SAMPLEPREP_SUMMARY of methanol. 20 μl of the lipid extract in methanol were loaded into 96-well SP:SAMPLEPREP_SUMMARY plates and diluted with 20 μl of 20 mM ammonium acetate in methanol. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Lipid infusion and ionization was conducted using Nano-ESI chips with the CH:CHROMATOGRAPHY_SUMMARY TriVersa NanoMate operated by the ChipSoft Software (Advion) under the following CH:CHROMATOGRAPHY_SUMMARY settings: sample infusion volume: 14 μl, volume of air to aspirate after CH:CHROMATOGRAPHY_SUMMARY sample: 1 μl, air gap before chip: enabled, aspiration delay: 0 s, prepiercing: CH:CHROMATOGRAPHY_SUMMARY with mandrel, spray sensing: enabled, cooling temperature: 14°C, gas pressure: CH:CHROMATOGRAPHY_SUMMARY 0.5 psi, ionization voltage: 1.4 kV, and vent headspace: enabled. Prewetting was CH:CHROMATOGRAPHY_SUMMARY done once. CH:CHROMATOGRAPHY_TYPE None (Direct infusion) CH:INSTRUMENT_NAME none CH:COLUMN_NAME none #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME CECAD Lipidomics/Metabolomics Facility (University of Cologne) #MS MS:INSTRUMENT_NAME SCIEX QTRAP 6500 MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Mass spectrometric analysis was performed using the QTRAP 6500 (SCIEX) operated MS:MS_COMMENTS by Analyst 1.6.3. The following instrument dependent settings were used: curtain MS:MS_COMMENTS gas, 20 psi; CAD gas, medium; and interface heater temperature, 100°C. PC MS:MS_COMMENTS analysis was performed in the positive ion mode by scanning for precursors of MS:MS_COMMENTS m/z 184 at a collision energy of 35 eV. PE, PS, PG, PI, and PA measurements were MS:MS_COMMENTS performed in the positive ion mode by scanning for neutral losses of 141, 185, MS:MS_COMMENTS 189, 277, and 115 D at CE of 25 eV. The value for the declustering potential was MS:MS_COMMENTS 100 V (Özbalci et al. 2013, Methods Mol Biol 1033:3-20). Scanning was performed MS:MS_COMMENTS in a mass range of m/z 650–900 D and at a scan rate of 200 D/s. 61 MCA spectra MS:MS_COMMENTS were accumulated. Mass spectra were processed by the LipidView Software Version MS:MS_COMMENTS 1.2 (SCIEX) for identification and quantification of glycerophospholipids. MS:MS_COMMENTS Endogenous glycerophospolipids were quantified by referring their peak areas to MS:MS_COMMENTS those of the internal standards. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS counts per second (cps) MS_METABOLITE_DATA_START Samples S01_B.cells_tfgWT_1B2 S02_B.cells_tfgWT_3A4 S03_B.cells_tfgWT_4A1 S04_B.cells_tfgWT_4A5 S05_B.cells_tfgWT_4C4 S06_B.cells_tfgWT_2H2 S07_B.cells_tfgWT_4C1 S08_B.cells_tfgKO_1C11 S09_B.cells_tfgKO_2D2 S10_B.cells_tfgKO_3C6 S11_B.cells_tfgKO_3D1 S12_B.cells_tfgKO_3G7 S13_B.cells_tfgKO_1A7 S14_B.cells_tfgKO_1E10 Factors Genotype:tfgWT Genotype:tfgWT Genotype:tfgWT Genotype:tfgWT Genotype:tfgWT Genotype:tfgWT Genotype:tfgWT Genotype:tfgKO Genotype:tfgKO Genotype:tfgKO Genotype:tfgKO Genotype:tfgKO Genotype:tfgKO Genotype:tfgKO Phosphatidylcholine 37:4 (IS) 1464940164 1739012882 689932731 504623394 1647853064 910735431 1033153961 380354050 416910490 786851773 791722058 1381039283 2275073166 1830349897 Phosphatidylcholine 30:0 1922918354 2374579795 761375569 852041742 2383294401 7032750443 6599553334 447404841 587936196 822071729 667871439 1704249911 4217087081 7307901525 Phosphatidylcholine 32:0 2671262538 4370987493 1539375665 1299228662 3073500975 8362483155 8219029997 954444264 1066049066 1805607958 1562637640 2651828889 12217704067 11953207320 Phosphatidylcholine 32:1 3935987984 4079987661 1268036338 1981832029 5281731634 18190454932 14697042846 766098441 1068991370 1562163210 1236693601 3300989309 10443812271 11459023367 Phosphatidylcholine 32:2 377430025 436191642 179803048 158307319 491869890 1398621563 1256792288 123726152 123767342 227942423 195360023 383500273 1596917675 1426990313 Phosphatidylcholine 32:3 34139827 41088483 24718189 11029648 38946208 59184912 82988192 12784060 12431292 21772310 30108175 36659738 138279024 134660701 Phosphatidylcholine 34:0 177113416 282320076 92600604 31153412 96628588 150085554 250104417 164296868 123154640 310265765 276081510 295007852 767856183 479695576 Phosphatidylcholine 34:1 6745453812 7610217291 2877473619 2739057635 8341681836 24226571076 24690593576 1563148007 1964535038 2867129071 2270272013 5215592520 20622745007 19814820702 Phosphatidylcholine 34:2 2476170584 2524448096 919138661 954563337 3208957295 8403766789 8778611632 546573264 691522042 1013231727 773777596 2238476428 7759634796 7181400888 Phosphatidylcholine 34:3 312036050 362341116 151925813 94276792 372531141 612843051 891805915 94280392 98102496 174047446 142697849 313939871 1242964074 1132783025 Phosphatidylcholine 34:4 73425053 88052762 49533061 17719095 74705336 90421874 168299105 32931163 29047381 73117411 60404695 70599400 571746022 301354226 Phosphatidylcholine 36:0 82828735 115100858 60410416 45401766 97834041 235576723 221543177 47012937 51629848 75372993 86123686 83380538 391330638 331205575 Phosphatidylcholine 36:1 895885867 971830639 364564468 318501374 950013202 3790423859 3430639225 240466158 271336496 464464188 437798740 645604688 2353765105 2430391320 Phosphatidylcholine 36:2 2221031566 2381715189 1020311621 836868719 2869253257 10254467893 9649912833 453100338 555466338 935802973 775771738 1758818540 6685504808 5970334448 Phosphatidylcholine 36:3 1002294734 1189469064 474444860 297171615 1191661948 1980764817 3391987860 241414471 320866594 490941665 414523634 898003095 3324124170 3365799643 Phosphatidylcholine 36:4 863563228 1032291905 342955312 197293927 872658159 1106493182 2521524311 265082832 305560661 536881656 423465528 636665247 5049161744 2416068583 Phosphatidylcholine 36:5 295090816 356122401 114444691 63596882 292270840 375082928 774493002 84107442 100082783 184264318 159864265 228407810 1667693903 810313005 Phosphatidylcholine 36:6 63519772 84860768 42930774 22501588 61463941 121708291 158923008 30243126 30868286 57231219 59188232 61662692 371202317 226519615 Phosphatidylcholine 38:2 220607226 238064721 104272981 89761691 269184803 872149106 956408047 53148106 54862723 109226002 102325356 162947035 596140780 793445202 Phosphatidylcholine 38:3 271494874 373151686 168717894 71718096 317950884 569428437 900206605 95377324 105184628 180010222 181893782 240712080 1118172870 1060792067 Phosphatidylcholine 38:4 473730230 710649610 330747128 106377028 487177707 838936200 1270838643 195654528 181735812 431709234 455366696 399730862 3524039561 1689076697 Phosphatidylcholine 38:5 684881595 996726903 391358018 150640260 670791605 985014446 1722190791 232595610 252923398 485395378 471636378 602046216 5423468634 2078795043 Phosphatidylcholine 38:6 552684651 794533592 299962229 118721996 524781328 751692901 1216905668 173375270 188683084 328717150 338083964 442977882 3202439873 1487173611 Phosphatidylcholine 38:7 95776338 132347206 71882398 45247118 101481462 329419243 301999224 51197160 54786834 89019705 95718769 103042100 617142013 357140176 Phosphatidylcholine 40:3 29679463 48099636 28096940 10034553 32159955 48532012 99583425 14442566 14117090 34825727 29700426 27226277 163972980 140719921 Phosphatidylcholine 40:4 58571982 109574705 74954735 13406369 58123903 79684107 146514302 31797990 24684204 77160807 99418700 57292571 521553592 268059708 Phosphatidylcholine 40:5 167694896 293516180 162645785 38940080 167603722 224220783 385960018 84381939 70301147 190226667 209391072 174040489 1383322389 683917175 Phosphatidylcholine 40:6 254159009 416900725 211569311 55642803 252014861 401443296 519054875 102303574 95875342 219903921 256769919 256436213 1607508722 879062362 Phosphatidylcholine 40:7 232589289 360916774 167822844 53627589 215402912 360062003 478758457 78501015 75725583 155726400 159668614 221706716 1341939587 718356271 Phosphatidylcholine 40:8 121856977 138443353 48728174 40092513 130171070 253934752 302991001 28523314 37682845 57893310 48375841 99023377 321049179 473352400 Phosphatidylcholine 40:9 67502655 110924828 33555676 20919723 86771090 153926523 207058572 20920109 24591354 43805081 30614835 75957564 124708594 349622972 Phosphatidylethanolamine 37:4 (IS) 271579085 330205669 224992174 206082491 339716968 180438917 293316620 56566400 123312515 245512026 181836341 338494500 333654325 293157296 Phosphatidylethanolamine 32:0 12783652 26450356 18422637 9404865 14491251 48953549 60564294 7638823 9478492 28018736 14839387 17921871 216430356 150472754 Phosphatidylethanolamine 32:1 36249154 41159995 19684942 40443645 51653466 390632405 203471768 9498586 16243982 32732511 16291548 42661189 211580210 214989227 Phosphatidylethanolamine 32:2 6040376 5567005 2628072 5972308 8266635 92414183 41759616 1387921 2237241 4426726 4309148 7513430 22590711 31912812 Phosphatidylethanolamine 32:3 624512 708853 441094 380601 730956 2486801 2068392 308273 459901 524466 544630 792030 2266545 3027359 Phosphatidylethanolamine 34:0 3317814 5973007 7222962 1531847 2554960 8405088 16682822 1777939 2544299 7330220 6595861 2962101 49594081 23814868 Phosphatidylethanolamine 34:1 103306572 135422550 74335928 99440276 137280233 945895024 650045464 26015458 48725390 106061168 53075797 103279858 719050902 631271682 Phosphatidylethanolamine 34:2 46546373 49287465 20868467 45649194 66419722 548337777 359987559 9122303 16336846 31717449 16007782 52764020 194783087 254451967 Phosphatidylethanolamine 34:3 6110112 6793063 3008601 4916277 7994503 36262937 39327383 1275520 2376936 4851297 6247507 7238164 22028828 34226345 Phosphatidylethanolamine 34:4 2483238 3534029 1487762 1521665 3232670 8309974 13834580 970405 1462384 3918658 2144004 3178544 15093526 17394679 Phosphatidylethanolamine 36:0 13071545 18067896 7211741 9186987 16589022 110262490 98431880 3440393 5972345 9672943 7278696 13107876 63365010 80456944 Phosphatidylethanolamine 36:1 46361686 62307311 40596698 32954103 40205253 458540511 358973873 11023171 19616127 41542770 34072825 37683276 219926834 241046893 Phosphatidylethanolamine 36:2 84653375 109709851 52562109 74194817 107435391 886296632 757851506 16273226 35702351 69520951 33631938 91601025 330732886 468495335 Phosphatidylethanolamine 36:3 30125517 40025469 15337100 23298487 40705244 168628189 217009523 7112410 14521352 24625140 13373291 39393617 124708541 188017077 Phosphatidylethanolamine 36:4 61854903 79940718 38611097 55028189 98916224 222637139 297769825 17134230 32969147 64936734 38453768 91013818 614968939 359936035 Phosphatidylethanolamine 36:5 17397124 20728875 7889713 13887528 26832050 77153624 106068447 3822942 8323151 17518048 7592341 25250999 99089653 89195533 Phosphatidylethanolamine 36:6 3643648 4200440 2073420 2001541 4493008 13678100 20929242 1016279 1670754 4082777 1973421 4705822 15792404 18186880 Phosphatidylethanolamine 38:0 19805592 34637841 18034368 11462662 22620874 72792747 113988981 8535173 15559767 38061415 26762332 21538354 139201304 142574391 Phosphatidylethanolamine 38:1 6308157 14311890 7802344 4598352 7694514 45583331 50898046 2185271 3578936 9517043 7600374 7552525 53688625 55739082 Phosphatidylethanolamine 38:2 6937529 13219844 7855053 4570610 7760440 48728194 68188478 2245879 3977502 10534173 5667580 8034139 46710521 64304963 Phosphatidylethanolamine 38:3 20761095 40222538 22536071 13727153 21993992 117225709 142777510 6597148 10757515 27599453 20029563 22481477 137454150 144627611 Phosphatidylethanolamine 38:4 122445593 205076353 142759405 90535471 149303955 500466804 790765868 36065148 63308729 160935324 142647910 156766360 1567133894 780332593 Phosphatidylethanolamine 38:5 101531394 169006745 82198351 75594535 151897729 383757042 702318884 29387702 57138691 121236810 75465633 153042180 1043168055 715211841 Phosphatidylethanolamine 38:6 39568937 66613104 30926040 28070326 54702680 140043024 206586706 10702246 19957263 44356785 32894589 55630389 439163635 214338536 Phosphatidylethanolamine 38:7 8012117 13029593 5130205 4706230 10938665 43775188 46156047 2243412 3929768 8362347 5491847 11204623 54387826 47863172 Phosphatidylethanolamine 40:3 2134394 4325764 4150257 871299 1915271 7327962 16642806 594737 1598280 4150387 3532156 2490981 22100375 16402480 Phosphatidylethanolamine 40:4 20366145 46365368 51406600 6811479 15542941 23745901 75380374 8111355 9218416 32916880 53233828 17785289 354324558 138903053 Phosphatidylethanolamine 40:5 67059678 124548565 108498854 28530185 58573281 192153105 344151466 19776102 31777883 78667462 93508179 64404556 726998836 381005851 Phosphatidylethanolamine 40:6 92110493 162109620 106574007 43693937 89218551 292919964 474938778 24473747 43137001 100144964 99060517 101179645 770755839 486011244 Phosphatidylethanolamine 40:7 43315530 78343958 42735401 23366919 59538750 169739911 262148133 12509740 22289578 50614834 32065919 60016668 435265836 273837629 Phosphatidylethanolamine 40:8 4137193 6549274 4119335 2891332 4715192 13230892 22904402 1382635 2865498 5318278 3346636 4981944 34536668 30143354 Phosphatidylethanolamine 40:9 2656784 4611909 2168507 1715134 3449918 13373424 21293587 519131 1801828 4163245 1929639 3186237 11006734 26070011 Phosphatidylinositol 37:4 (IS) 133186425 98597575 97186409 63646338 158682188 127126706 132704093 23212564 53030403 98031011 66694223 131778110 147459121 130260988 Phosphatidylinositol 32:1 5088823 4730239 3842729 4457897 6465852 65307668 34045261 1190730 1197752 2926661 4976162 4346261 14609630 24131365 Phosphatidylinositol 32:2 1300745 1138382 1508709 709629 1434275 11345784 5582918 283328 470321 827152 1711151 1185278 4770693 5752233 Phosphatidylinositol 34:1 26115700 19899891 10376715 22937048 38822089 393009347 211623833 2946567 6288321 8203822 6552422 19894816 58238274 105345897 Phosphatidylinositol 34:2 15663059 12637221 6830573 11682125 23210568 251487421 118174977 2184813 4616290 5239115 3941025 14787862 47805106 75865666 Phosphatidylinositol 34:3 1424274 1329372 1026115 882597 2058085 10537597 9098276 481554 567232 822649 836450 1811097 6313525 9579653 Phosphatidylinositol 34:4 432994 857208 407069 219318 631407 1623467 1821461 144680 230192 470419 411460 471457 2432588 2621173 Phosphatidylinositol 36:1 23101877 15925564 9787382 20871956 36248430 426396394 213083013 2593332 5434047 7191115 4584528 18159584 39107653 77734432 Phosphatidylinositol 36:2 56003188 37101350 25312968 44615472 81025214 1098647806 553027712 6080114 14728055 16324255 10367834 41307488 93302196 242548912 Phosphatidylinositol 36:3 25374929 17109266 10899585 14655878 34288435 219990547 182671964 3287353 9307181 7053373 5062815 21107675 44305197 139397061 Phosphatidylinositol 36:4 46733524 41160496 25501042 17840772 51760315 201128636 258868981 10009922 21964049 31999708 20952980 32598234 263158652 254608671 Phosphatidylinositol 36:5 12416409 9467289 4867941 4982906 15344350 64606547 69662016 1951859 5238360 6040352 3279500 9499906 36090323 65791861 Phosphatidylinositol 38:2 6335678 4223960 4019350 4335087 9808623 97111200 69127288 644320 2318358 2199964 1186670 4509746 10934892 36314188 Phosphatidylinositol 38:3 41527792 32499947 34723439 19802165 57568896 361955752 328297191 7961170 19311492 25723392 25545935 34477132 119292371 246279143 Phosphatidylinositol 38:4 179771774 197935452 194514186 59342768 214687266 881326832 1359861664 58874866 105620077 256772727 187832134 133907748 1964928706 1610928609 Phosphatidylinositol 38:5 96527322 109502937 62424437 40691966 126640437 632101522 844790093 21144498 49429034 67492799 43745312 89386477 553941206 972519427 Phosphatidylinositol 38:6 11910231 12127035 6015513 5355475 16603333 77454849 96334928 2598596 6163264 6436389 3880590 12828865 55309837 120386534 Phosphatidylinositol 38:7 1163504 938393 564731 243727 829429 2558225 3875030 190818 369023 455292 301415 779704 3542226 8249271 Phosphatidylinositol 40:3 1025835 956242 713808 503371 1209846 6685112 8028080 235094 441690 751292 819836 688935 6457344 6075132 Phosphatidylinositol 40:4 3996136 5180279 6112023 1683420 4742458 19050967 29760194 1372121 1589389 3923590 5482541 2881261 81480786 34940240 Phosphatidylinositol 40:5 12022491 12813998 13017177 5365065 15450909 81247090 100373355 2726002 5173363 8873700 10438422 8997137 151175687 96928312 Phosphatidylinositol 40:6 8945303 8618948 7504600 3291820 10656232 61702260 62422237 1579678 2988406 5532939 6444130 7571762 83713639 65401678 Phosphatidylinositol 40:7 2862422 3238937 1963162 1224006 3581715 22293561 20199620 448926 950370 1465147 1299464 2911270 21406030 24171235 Phosphatidylinositol 40:8 1191502 1154419 675417 390910 1139387 5089842 3896320 117924 477047 718329 498852 1047249 4438040 7941615 Phosphatidylserine 37:4 (IS) 89385747 61893989 101242454 81227586 105301002 51933594 39314440 13781326 45409264 66601193 58217752 105946557 11423200 16587574 Phosphatidylserine 36:1 39736804 36300746 56701282 44420933 44241024 685465561 415133726 10734328 28314366 44013382 30606031 44112739 190988843 271802620 Phosphatidylserine 38:1 2927926 2326003 3089272 2539222 2873923 26126064 26812355 722439 1839097 3088360 1390182 1919849 9818242 21784134 Phosphatidylserine 38:2 395076 2554030 6199277 1795997 1787540 22339762 23410009 599041 2088152 3721765 2354861 2310558 18234419 25098398 Phosphatidylserine 38:3 9785225 9510650 12441547 11484069 14283617 129359323 112490318 2403101 7303024 9230781 8462238 12067918 40374310 70598121 Phosphatidylserine 38:4 15911980 8163990 9537239 18505596 24270749 130078013 192427675 2053896 8344031 7586692 4057482 21369767 74593548 119969305 Phosphatidylserine 40:1 1197392 497663 1576139 2430907 3150338 16722569 11403370 90049 859053 496000 428729 917720 4645422 6170278 Phosphatidylserine 40:2 1987389 1329281 2182819 1761775 3798170 18336002 17356657 223715 937518 1308559 562833 1670590 4985919 9719477 Phosphatidylserine 40:3 1779958 1660861 2990661 987885 1647115 6560183 11421448 521549 833196 2182079 1526476 1431557 8700494 11171944 Phosphatidylserine 40:4 14670159 19497966 32955490 5290046 10889823 25494642 55345039 5259224 6391411 20373863 29373913 12691274 210815439 103515051 Phosphatidylserine 40:5 43090222 48398090 59328219 27142472 46781627 249286191 281936075 10009926 23986401 43343139 43550707 45635838 334925221 270750243 Phosphatidylserine 40:6 47673994 44432471 44290355 32104962 54775962 328008511 402343149 9702464 24050140 34990223 32582449 51114510 219640010 328033519 Phosphatidylserine 40:7 2822153 9437 1540848 2913996 6996151 47791473 44088319 166877 1878468 1303594 271902 3656661 10703103 43056968 Phosphatidylglycerol 37:4 (IS) 161773766 152965484 151803989 124083143 176333633 69772507 66238513 39692158 60943398 119931143 94150003 194824313 43857392 39200113 Phosphatidylglycerol 32:0 8706588 16111863 2955286 3071134 5362429 17789741 19459837 6118597 8062718 21595671 11252796 14681591 32528873 33455554 Phosphatidylglycerol 32:1 5497414 6104922 2768149 3936989 4968753 40570960 26865304 2298058 2589027 5861516 4240774 6766515 17333699 47613549 Phosphatidylglycerol 32:2 1332359 1478206 964876 848463 1357606 7197994 4997527 394588 404589 983918 489014 1382433 3188704 5897031 Phosphatidylglycerol 34:1 79156086 112985893 69351100 59438223 81536046 475668671 461521464 51425185 52550323 154106036 93532285 108525162 492430533 501832154 Phosphatidylglycerol 34:2 7706112 8900852 6143664 6012081 8128437 56291950 40140631 3999469 4105179 9809366 7014339 9889761 44605341 55912600 Phosphatidylglycerol 34:3 2008281 3094099 2057286 1034465 2191967 5587475 10120331 876781 1064189 2208652 939091 2076105 5102403 9453695 Phosphatidylglycerol 34:4 524585 646034 371117 372924 595313 897386 1127804 197866 311551 164957 320136 469266 1101109 1481860 Phosphatidylglycerol 36:1 7851660 10505732 7276505 5238656 6789725 46574462 47395481 6030804 7458647 13705188 10496923 10578087 42472766 46091279 Phosphatidylglycerol 36:2 10680752 14627560 11133933 7324664 10476147 71143616 55483822 10794730 10239796 32983269 22527841 16812346 103052034 86299216 Phosphatidylglycerol 36:3 7587230 11637531 9646787 4369722 7206694 21673858 34350595 3782282 4411169 8953644 6188145 7055893 33788025 54872044 Phosphatidylglycerol 36:4 6455363 7531351 5048215 3449264 5596480 17316314 29384174 2145099 3367689 5168493 3118173 5616685 18141140 57031430 Phosphatidylglycerol 36:5 1692669 1614794 900582 935267 2033288 5041864 6280883 586423 864703 720794 667572 1640463 3903412 11561908 Phosphatidylglycerol 38:2 670045 1260069 588915 480294 699842 5357173 4668520 396438 546218 874028 598414 809069 3145431 8325003 Phosphatidylglycerol 38:3 1668658 2199055 1595339 1157268 1852090 9466756 9538210 550093 961380 1607698 1128953 1625589 6003623 22264160 Phosphatidylglycerol 38:4 4273269 5295854 3904249 2099572 3264034 13221628 21125871 1570831 2214339 3797920 3880896 3537705 15469203 77513819 Phosphatidylglycerol 38:5 3055176 3608052 2302387 1596203 2404917 8528009 14360967 1037666 1679098 1942107 1677557 3011113 8872472 47079676 Phosphatidylglycerol 38:6 1099691 1595531 1101988 641130 991580 2453293 3761146 485541 591790 1155051 878807 1285198 3877420 9705659 Phosphatidylglycerol 40:5 710791 1100520 574656 319123 714920 1738160 2446797 359145 372030 518437 846715 792114 2301795 5269734 Phosphatidylglycerol 40:6 742842 1179304 627864 509179 644973 1738337 2180088 305566 384840 753424 568881 605850 2829573 4555684 Phosphatidylglycerol 40:7 470139 599911 508420 256247 605636 626883 1037222 178053 264615 435878 685012 540394 2035170 2856063 Phosphatidic acid 37:4 (IS) 40889026 42298993 67389581 58330995 51405611 14657476 15365449 1716733 14433512 43191233 34387445 69251864 9202072 9913161 Phosphatidic acid 30:1 808569 645387 884270 757397 718895 3711244 4320980 255005 339213 511611 425885 1004771 1478439 3107049 Phosphatidic acid 30:2 528576 430613 311040 180515 508151 514170 679465 672604 156540 304222 234308 385896 747430 534301 Phosphatidic acid 32:0 3785586 5900656 2633003 9098522 4375746 62334969 42582397 267808 1142747 1445915 1388143 4112628 6258963 17723218 Phosphatidic acid 32:1 1952188 2457193 2273250 3518430 2768103 26694140 24755041 209593 614440 1222174 1061307 3235818 6778313 14450474 Phosphatidic acid 32:2 758572 875528 889591 849956 757283 3338775 3830261 246261 435052 729922 718604 1085692 2190906 2955944 Phosphatidic acid 34:0 516306 1158473 593743 1047118 758079 5438934 3715187 778460 526198 486001 413589 600340 941743 2485302 Phosphatidic acid 34:1 3404614 4975868 5142601 6971795 5419123 57139818 51118035 483005 1422725 2897616 2680785 5432675 15340018 27098900 Phosphatidic acid 34:2 1504385 2154704 1864703 2062960 2530611 14700587 19137248 1195858 589975 1113080 1027642 2787847 6286579 10377162 Phosphatidic acid 34:3 610584 686474 687263 384025 601492 1150595 2208500 148267 266074 529409 447277 466028 1464488 2100231 Phosphatidic acid 36:1 1419006 1789134 2162055 1874313 2005302 14330989 16336277 504918 505541 1151257 774478 1568497 2629734 6266803 Phosphatidic acid 36:2 1598078 2120122 2493165 3219872 2748744 25138824 29889934 715861 799758 1413057 1276158 2742802 6482158 12709217 Phosphatidic acid 36:3 887085 1098425 1122141 1145057 1365361 4831820 9098951 433791 433178 488348 682848 1388310 2855042 6497524 Phosphatidic acid 36:4 1191449 1168574 1293743 1159548 1550615 3346984 7607167 438084 710201 669989 648113 1754998 4418111 6421496 Phosphatidic acid 36:5 1506038 700946 566970 462096 886070 1234726 2439695 168882 323865 485850 403836 847365 1793781 2273378 Phosphatidic acid 38:2 491066 688359 663041 484137 563291 2957809 3730417 333570 206191 407643 292434 627021 1014903 2238444 Phosphatidic acid 38:3 834030 1230438 1601831 853849 1029218 5096711 10187820 63261 543909 700929 592865 1159319 2433225 6542172 Phosphatidic acid 38:4 1613104 2574421 4160297 1472411 2080183 7224240 22946133 178534 667475 1221591 1408984 2243402 12388313 23346455 Phosphatidic acid 38:5 670058 1991320 1383978 745705 1267955 4485342 11675035 93670 252359 656874 451559 1459766 4698165 10084343 Phosphatidic acid 38:6 619094 676389 787709 361922 958929 1286033 2956655 205201 120856 344200 485226 755565 1809311 1832880 Phosphatidic acid 40:4 404144 949140 877113 343939 543687 1337133 1382623 169541 154183 511837 523181 513106 1874660 1779861 Phosphatidic acid 40:5 900303 1412747 1667189 677573 671880 2043959 3454249 232408 158919 727285 1005279 1037287 2705359 3007990 Phosphatidic acid 40:6 484714 1459525 1269395 620480 798865 1897137 2656596 47438 273023 533421 580329 617919 2061217 2417737 Phosphatidic acid 40:7 716721 714975 514813 387721 755214 1880206 1791690 3571 296007 172528 107663 473877 1182893 1549905 Phosphatidic acid 40:8 1209461 959664 403291 832949 555034 2710476 2655916 208598 199103 151893 282587 979316 888436 2177154 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Mass to Charge (m/z) Fragmentation Modification Charge KEGG ID Phosphatidylcholine 37:4 (IS) 796.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 30:0 706.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 32:0 734.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 32:1 732.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 32:2 730.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 32:3 728.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 34:0 762.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 34:1 760.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 34:2 758.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 34:3 756.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 34:4 754.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 36:0 790.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 36:1 788.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 36:2 786.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 36:3 784.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 36:4 782.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 36:5 780.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 36:6 778.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 38:2 814.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 38:3 812.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 38:4 810.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 38:5 808.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 38:6 806.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 38:7 804.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 40:3 840.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 40:4 838.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 40:5 836.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 40:6 834.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 40:7 832.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 40:8 830.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylcholine 40:9 828.5 +Precursor Ion Scan m/z 184 [M+H] 1 C00157 Phosphatidylethanolamine 37:4 (IS) 754.4 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 32:0 692.4 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 32:1 690.4 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 32:2 688.4 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 32:3 686.4 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 34:0 720.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 34:1 718.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 34:2 716.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 34:3 714.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 34:4 712.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 36:0 748.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 36:1 746.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 36:2 744.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 36:3 742.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 36:4 740.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 36:5 738.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 36:6 736.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 38:0 776.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 38:1 774.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 38:2 772.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 38:3 770.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 38:4 768.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 38:5 766.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 38:6 764.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 38:7 762.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 40:3 798.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 40:4 796.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 40:5 794.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 40:6 792.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 40:7 790.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 40:8 788.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylethanolamine 40:9 786.5 +Neutral Loss Scan m/z 141 [M+H] 1 C00350 Phosphatidylinositol 37:4 (IS) 890.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 32:1 826.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 32:2 824.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 34:1 854.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 34:2 852.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 34:3 850.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 34:4 848.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 36:1 882.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 36:2 880.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 36:3 878.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 36:4 876.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 36:5 874.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 38:2 908.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 38:3 906.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 38:4 904.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 38:5 902.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 38:6 900.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 38:7 898.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 40:3 934.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 40:4 932.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 40:5 930.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 40:6 928.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 40:7 926.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylinositol 40:8 924.5 +Neutral Loss Scan m/z 277 [M+NH4] 1 C01194 Phosphatidylserine 37:4 (IS) 798.5 +Neutral Loss Scan m/z 185 [M+H] 1 C02737 Phosphatidylserine 36:1 790.5 +Neutral Loss Scan m/z 185 [M+H] 1 C02737 Phosphatidylserine 38:1 818.5 +Neutral Loss Scan m/z 185 [M+H] 1 C02737 Phosphatidylserine 38:2 816.5 +Neutral Loss Scan m/z 185 [M+H] 1 C02737 Phosphatidylserine 38:3 814.5 +Neutral Loss Scan m/z 185 [M+H] 1 C02737 Phosphatidylserine 38:4 812.5 +Neutral Loss Scan m/z 185 [M+H] 1 C02737 Phosphatidylserine 40:1 846.5 +Neutral Loss Scan m/z 185 [M+H] 1 C02737 Phosphatidylserine 40:2 844.5 +Neutral Loss Scan m/z 185 [M+H] 1 C02737 Phosphatidylserine 40:3 842.5 +Neutral Loss Scan m/z 185 [M+H] 1 C02737 Phosphatidylserine 40:4 840.5 +Neutral Loss Scan m/z 185 [M+H] 1 C02737 Phosphatidylserine 40:5 838.5 +Neutral Loss Scan m/z 185 [M+H] 1 C02737 Phosphatidylserine 40:6 836.5 +Neutral Loss Scan m/z 185 [M+H] 1 C02737 Phosphatidylserine 40:7 834.5 +Neutral Loss Scan m/z 185 [M+H] 1 C02737 Phosphatidylglycerol 37:4 (IS) 802.5 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 32:0 740.4 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 32:1 738.4 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 32:2 736.4 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 34:1 766.4 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 34:2 764.4 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 34:3 762.4 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 34:4 760.4 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 36:1 794.4 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 36:2 792.4 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 36:3 790.4 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 36:4 788.4 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 36:5 786.4 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 38:2 820.5 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 38:3 818.5 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 38:4 816.5 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 38:5 814.5 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 38:6 812.5 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 40:5 842.5 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 40:6 840.5 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidylglycerol 40:7 838.5 +Neutral Loss Scan m/z 189 [M+NH4] 1 C00344 Phosphatidic acid 37:4 (IS) 728.5 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 30:1 636.4 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 30:2 634.4 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 32:0 666.4 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 32:1 664.4 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 32:2 662.4 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 34:0 694.4 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 34:1 692.4 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 34:2 690.4 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 34:3 688.4 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 36:1 720.5 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 36:2 718.4 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 36:3 716.4 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 36:4 714.4 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 36:5 712.4 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 38:2 746.5 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 38:3 744.5 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 38:4 742.5 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 38:5 740.5 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 38:6 738.5 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 40:4 770.5 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 40:5 768.5 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 40:6 766.5 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 40:7 764.5 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 Phosphatidic acid 40:8 762.5 +Neutral Loss Scan m/z 115 [M+NH4] 1 C00416 METABOLITES_END #END