#METABOLOMICS WORKBENCH araskind_20170605_140831 DATATRACK_ID:969 STUDY_ID:ST000688 ANALYSIS_ID:AN001061 PROJECT_ID:PR000487 VERSION 1 CREATED_ON June 30, 2017, 2:52 pm #PROJECT PR:PROJECT_TITLE Biomarkers for different types of Multiple Scelerosis PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Biomarkers for Secondary Progressive and Benign Multiple Scelerosis (MS) PR:INSTITUTE University of Michigan PR:DEPARTMENT Neurology PR:LABORATORY Mao-Draayer Lab PR:LAST_NAME Mao-Draayer PR:FIRST_NAME Yang PR:ADDRESS Ann Arbor, MI PR:EMAIL maodraay@umich.edu PR:PHONE 734-615-5635 #STUDY ST:STUDY_TITLE Biomarkers for different types of Multiple Scelerosis (MS) (BMS vs SPMS ST:STUDY_TITLE lipidomics) ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Metabolomic Analysis in Secondary Progressive and Benign MS. Preliminary data: ST:STUDY_SUMMARY We have conducted whole blood cell microarray comparing gene expression profile ST:STUDY_SUMMARY of 20 SPMS and 13 BMS patients. The data revealed significant increase in ST:STUDY_SUMMARY pathways involving iron ion binding, oxygen transporter activity and hemoglobin ST:STUDY_SUMMARY functions. Specifically, the identified down regulated genes are involved in ST:STUDY_SUMMARY interacting selectively and non-covalently with iron (Fe) ions. Heme has been ST:STUDY_SUMMARY described as a potent pro-inflammatory molecule that can induce multiple innate ST:STUDY_SUMMARY immune responses, and cause excessive iron and heme-induced oxidative stress and ST:STUDY_SUMMARY cell death. In the brain, it causes neurodegeneration. In addition, our ST:STUDY_SUMMARY microarray preliminary results also show a statistically significant increase in ST:STUDY_SUMMARY arachidonate 12-lipoxygenase activity in SPMS compared to benign MS. Specific ST:STUDY_SUMMARY aim. To validate metabolites and lipid biomarkers in serum samples from patients ST:STUDY_SUMMARY with benign and secondary progressive MS. Our central hypothesis is that the ST:STUDY_SUMMARY gene expression in various types of multiple sclerosis likely create a ST:STUDY_SUMMARY systematic metabolomic/lipidomic environment that leads to progression in MS. We ST:STUDY_SUMMARY plan to compare and contrast metabolomics in SP-MS to BMS patients using the ST:STUDY_SUMMARY innovative technology at the Metabolomics Research Core at the University of ST:STUDY_SUMMARY Michigan. By monitoring lipid and metabolite changes in SP and BMS patients, we ST:STUDY_SUMMARY aim to identify molecular processes and biomarkers of axonal damage for MS. ST:STUDY_SUMMARY Then, we plan to translate such metabolomic biomarkers to correlate with our ST:STUDY_SUMMARY rich clinical, immunological and imaging readouts. The goal of this project is ST:STUDY_SUMMARY to develop a blood-based test to differentiate SP-MS from BMS patients. To ST:STUDY_SUMMARY accomplish this, we will first identify the gene expression signature associated ST:STUDY_SUMMARY with of SP-MS. Then, we will correlate these gene expression changes with lipids ST:STUDY_SUMMARY and metabolite changes in the blood by metabolomic network analysis. Because ST:STUDY_SUMMARY metabolism is the final fingerprint of functionality and has been implicated in ST:STUDY_SUMMARY neurodegeneration, metabolomic network analysis can be used for refining the ST:STUDY_SUMMARY relationships between specific gene expression and metabolites and axonal damage ST:STUDY_SUMMARY in progressive MS. Ultimately, we hope to develop blood, CSF and stool-based ST:STUDY_SUMMARY assays, and use this comprehensive profile to predict susceptibility and ST:STUDY_SUMMARY progression of MS. This is a new and innovative idea, which will hope to lead to ST:STUDY_SUMMARY future diagnostic and therapeutic development in MS. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 45 ST:TOTAL_SUBJECTS 33 ST:STUDY_COMMENTS See Attached document for additional information. #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0017889 S00027969 Type of MS:Benign MS Age=67.0; BMI kg/m2=23.9; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017890 S00027970 Type of MS:Benign MS Age=58.0; BMI kg/m2=25.64; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017891 S00027971 Type of MS:Benign MS Age=58.0; BMI kg/m2=31.45; Gender=Male; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017892 S00027972 Type of MS:Benign MS Age=67.0; BMI kg/m2=28.65; Gender=Male; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017893 S00027973 Type of MS:Benign MS Age=58.0; BMI kg/m2=24.0; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017894 S00027974 Type of MS:Benign MS Age=63.0; BMI kg/m2=25.33; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017895 S00027975 Type of MS:Benign MS Age=48.0; BMI kg/m2=31.08; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017896 S00027976 Type of MS:Benign MS Age=44.0; BMI kg/m2=42.7; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017897 S00027977 Type of MS:Benign MS Age=70.0; BMI kg/m2=30.68; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017898 S00027978 Type of MS:Benign MS Age=73.0; BMI kg/m2=25.88; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017899 S00027979 Type of MS:Benign MS Age=59.0; BMI kg/m2=33.78; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017900 S00027980 Type of MS:Benign MS Age=53.0; BMI kg/m2=27.31; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017901 S00027981 Type of MS:Benign MS Age=60.0; BMI kg/m2=24.24; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017902 S00027982 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=Female; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017903 S00027983 Type of MS:SPMS Age=58.0; BMI kg/m2=32.0; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017904 S00027984 Type of MS:SPMS Age=57.0; BMI kg/m2=30.73; Gender=Male; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017905 S00027985 Type of MS:SPMS Age=35.0; BMI kg/m2=26.51; Gender=Male; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017906 S00027986 Type of MS:SPMS Age=52.0; BMI kg/m2=34.0; Gender=Female; Race=African American SUBJECT_SAMPLE_FACTORS SU0017907 S00027987 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017908 S00027988 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017909 S00027989 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017910 S00027990 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017911 S00027991 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017912 S00027992 Type of MS:SPMS Age=59.0; BMI kg/m2=22.47; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017913 S00027993 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017914 S00027994 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017915 S00027995 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017916 S00027996 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017917 S00027997 Type of MS:SPMS Age=UNKNOWN; BMI kg/m2=UNKNOWN; Gender=UNKNOWN; Race=UNKNOWN SUBJECT_SAMPLE_FACTORS SU0017918 S00027998 Type of MS:SPMS Age=49.0; BMI kg/m2=26.4; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017919 S00027999 Type of MS:SPMS Age=46.0; BMI kg/m2=25.0; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017920 S00028000 Type of MS:SPMS Age=44.0; BMI kg/m2=25.1; Gender=Female; Race=Caucasian SUBJECT_SAMPLE_FACTORS SU0017921 S00028001 Type of MS:SPMS Age=61.0; BMI kg/m2=19.68; Gender=Female; Race=Caucasian #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A004 - Shotgun Lipidomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF CH:COLUMN_NAME Waters Acquity HSS T3 (50 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A004 - Shotgun Lipidomics.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area normalized MS_METABOLITE_DATA_START Samples S00027969 S00027970 S00027971 S00027972 S00027973 S00027974 S00027975 S00027976 S00027977 S00027978 S00027979 S00027980 S00027981 S00027982 S00027983 S00027984 S00027985 S00027986 S00027987 S00027988 S00027989 S00027990 S00027991 S00027992 S00027993 S00027994 S00027995 S00027996 S00027997 S00027998 S00027999 S00028000 S00028001 Factors Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:Benign MS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS Type of MS:SPMS CL 66:1; [M-2H](2-)@6.26 100607.0583 7519.494933 34187.87868 24649.70497 24702.5229 32989.79368 62330.46336 97401.40892 69683.99169 30455.51069 51347.55429 53010.90529 38797.03686 79696.25986 35851.67865 37615.74611 107444.3204 35573.36689 131756.7918 37063.5283 74718.49603 23826.22627 9505.486988 48001.13778 22956.20393 33111.19751 27232.67039 34376.41583 28466.82596 17718.30613 6851.47564 16146.07974 31691.20565 CL 74:3; [M-2H](2-)@6.99 3738277.204 1014968.14 2231944.501 2060717.25 1121579.156 2989222.509 3059858.802 1777382.284 3257019.54 3099359.436 1924155.369 2181791.02 2610358.297 2511926.359 861813.3506 1098440.019 2535336.267 1240953.597 3887307.157 1377899.423 2217065.715 2407298.344 667863.2365 2019591.448 1709678.519 2367541.056 1327041.391 2276211.405 2148721.455 761903.5555 549643.4192 730902.939 1423563.958 CL 76:5; [M-2H](2-)@6.98 66437.67639 27016.9435 23355.53495 48639.81628 20890.39835 46055.88937 46073.68998 27275.48104 45331.66676 40805.89104 42151.5692 25945.60941 31356.73926 29452.90962 22561.58653 26784.79126 36994.06948 38696.89855 55807.79513 24043.45675 38292.83126 16169.02713 22350.02102 53672.57887 26180.92791 17667.91626 18754.07564 15490.87835 29892.85242 32537.08333 27618.51746 11349.1529 39259.8069 CL 78:5; [M-2H](2-)@6.51 1839780.907 501575.2206 484486.8176 534732.6407 663194.4024 727490.7394 978128.4701 624774.0603 999294.3609 1381334.758 629945.1811 562484.5964 785855.1222 1083133.83 462731.5842 639140.5785 935922.6034 388839.4579 441705.0212 968135.8684 744929.9712 941574.37 427619.1355 908608.605 610195.4285 964850.6072 912249.2556 1189714.889 864449.7403 883256.1224 455532.1374 444384.4294 786445.1934 CerP 32:1; [M-H]-@5.19 42634.06617 18557.78415 14326.12444 28773.28361 17197.36466 19510.8054 34607.21471 15644.22489 29821.65941 21771.55086 19951.13667 24615.62498 22550.60778 27968.50609 30833.58134 18910.43018 34044.28026 16288.79917 27993.32268 16946.61056 33190.33296 11587.11683 15232.05286 24158.3491 16553.12268 13469.28512 13400.07966 17847.82548 37546.67184 18187.00497 17933.4753 11637.61081 21826.80088 CerP 34:0; [M-H]-@6.17 19212.42987 13284.41214 13626.30075 26175.47628 18468.00295 17180.79309 17065.94288 23543.69792 17167.88179 17689.64347 18236.15815 22878.34172 10862.32546 19535.75494 20836.83009 17239.02529 13740.83128 14393.06465 11085.2587 19000.86293 19972.39955 16804.79059 10456.33025 14376.15495 11083.62469 16784.66179 8057.463133 17718.72706 10051.98143 13486.34606 15183.55037 17360.02987 19851.0971 CerP 34:1; [M-H]-@5.94 234784.6707 157534.1631 216758.462 236809.1165 237684.2126 190111.2954 206247.5523 185161.3753 220924.7785 231706.9796 191983.3956 194898.8939 206186.9983 260813.3899 269502.0173 192918.2177 198256.5217 224663.5647 182913.0414 208585.7448 243433.3699 195778.5477 155561.6996 196320.8094 164426.9262 156815.8173 159828.9214 232627.9984 272445.8971 175353.3215 184159.5081 242391.0324 223185.8221 CerP 34:2; [M-H]-@5.40 175620.7604 118755.496 82477.91366 139255.6524 109368.8458 111168.8291 173347.5312 99517.95937 158595.446 131390.4616 119963.3997 143806.7612 117927.0501 114185.8229 147952.6518 95467.57474 154930.5291 118079.6719 117618.9318 128801.0674 133420.0656 90196.27004 83587.3641 121923.0055 97192.90275 88358.27073 94491.46791 112168.4948 140839.3736 98044.83946 87370.38332 84476.93202 103660.6756 CerP 38:1; [M-H]-@7.29 17209.91122 14139.59086 9242.833699 11763.05279 10588.34478 23270.62146 14951.5912 13987.70711 10646.29215 11972.23285 13628.67219 6966.086121 6972.450155 12725.0766 7878.180806 7022.903012 7222.682029 9789.108392 7536.515528 11240.65953 8621.126045 17899.48625 11143.95421 22378.55967 11496.78843 5082.187009 6947.126584 14341.71671 13862.22584 8911.868703 8703.701806 11420.23836 13669.58012 CerP 41:1; [M-H]-@8.14 105818.1533 46894.66149 37414.55846 32303.555 51280.25725 48240.90919 59396.18096 49875.08014 50039.58643 72603.81811 92737.80472 54707.71966 55791.35477 80148.33337 35694.291 42647.78098 89937.35863 41796.65239 36304.96892 82850.96303 53069.18066 85237.5785 44255.93493 61641.58365 46401.92433 71466.64496 77417.26197 78981.27506 56401.30127 60828.17394 36747.50664 44125.60754 68869.74906 CerP 42:1; [M-H]-@8.41 126089.2174 92986.53318 101443.858 105384.3623 92900.34934 83134.54734 104867.7802 76179.54226 103316.3706 150657.8547 83054.75824 111979.7559 151568.6362 122494.7978 120541.6393 120806.8645 172757.7275 94200.39273 100308.9688 83673.81074 179760.8561 114079.2358 50678.89607 77333.1614 62229.3396 64228.97535 81629.04969 118090.7644 83591.38113 71525.60179 101171.4376 96289.02987 87807.7156 FFA(16:0) 26249030.58 15013142.02 21430465.13 25123652.23 22594768.21 21615052.44 27682567.97 18721957.17 34965759.73 18064051.48 14331799.73 15420666.21 18998330.71 30496766.47 27323319.23 21702440.52 26306910.7 24897310.02 31691084.53 35419820.43 25118422.24 25520769.06 24360883.97 22761977.91 21680197.45 23062387.03 33158531.9 25794845.04 33836600.52 29887858.97 23812181.76 28388363.5 23939731.96 FFA(18:0) 27856086.44 20234695.06 25684033.47 29633344.01 24576873.68 21435826.58 27957030.62 19735694.77 33933794.17 21983108.83 18860727.69 18981571.19 23920915.37 29624833.43 23903951.91 20461229.53 29938125.03 21926228.65 27691567.78 31341321.46 27525419.72 22836481.2 25097630.9 28857870.95 28301445.05 25727693.41 39831805.06 28574407.53 37678021.86 34348871.21 30908406.8 34085278.65 28119877.2 FFA(18:1) 21782094.46 6609679.326 16005531.82 19802093.61 25993490.33 23035023.37 25025426.72 18225115.32 39789000.24 11969071.81 4737950.235 9008761.301 8326136.366 34882565.31 36242961.25 25205751.47 21542313.07 30629685.48 29907191.53 54333885.18 21396326.44 25189563.87 27818563.09 16496738.19 15535537.06 21397669.64 28974853.85 27099421.93 31459852.17 31184640.79 18099041.64 29029001.05 22898122.08 FFA(18:2) 15793421.08 3262268.643 9071880.04 14846798.25 14965301.81 17802783.75 14846496.31 11496723.7 25475011.02 7216063.065 2409828.759 5304159.233 4281306.43 22033931.47 22803596.9 13695561.18 14436378.14 20039952.71 16965245.94 32550824.68 20334974.25 17990242.86 20222530.83 8957284.86 11759630.84 18320914.75 19068688.49 17489520.07 17983719.87 16479407.54 11104032.67 17739277.91 14317084.74 FFA(20:0) 926502.0332 517017.8639 636018.8665 731779.2043 616150.8038 601837.3896 721257.7094 499773.9332 1321466.57 581486.1873 473220.9353 456525.66 732338.4781 763048.1588 527839.0087 456253.3617 841017.5967 539575.2659 900172.4252 849520.3013 801176.5251 614408.0976 1232231.208 1433507.811 1408810.721 1460038.032 2199209.902 1924463.889 2258916.416 1862051.627 1833005.434 2059864.035 1713215.881 FFA(20:1) 519497.6743 198284.2022 310613.4577 377012.4788 534447.3753 545647.5245 541420.5819 361978.6914 1326243.91 281867.5048 111037.532 142026.9858 200552.6869 696462.5387 602753.9296 673501.0727 299745.9739 655839.6018 525958.6923 2382430.489 569015.7958 351870.7192 568140.8491 397775.0586 305390.2239 560629.2287 525271.057 802931.4828 662492.3696 878358.7032 500263.4219 684669.5938 764678.6258 FFA(20:2) 411460.5709 130219.0413 289604.8946 385434.8869 335918.0197 449796.6753 455431.7457 303120.4806 976371.5865 253623.7977 102934.3105 133937.9262 90572.87004 819302.9667 607225.205 540631.8237 371315.4007 635484.4574 361413.5349 1451971.73 655582.5816 407139.4476 569008.6407 241423.188 256363.6089 350552.7105 500167.4989 539734.9702 505428.4634 644237.7925 374240.9683 677560.9504 516855.0043 FFA(20:4) Arachidonic acid 849548.5152 474436.2104 883775.8421 897420.5754 922812.0162 552987.3479 1016721.461 940983.3751 2388322.199 636693.3806 438924.5567 494760.0163 580369.6976 1534176.089 2722869.232 1402926.156 1433981.501 1663691.074 1243174.495 3255980.401 2271929.529 817183.9647 1474055.893 680834.3476 598803.7592 511410.337 872441.3752 944276.5245 1253643.768 1663992.882 927332.3247 2024379.406 1150633.208 FFA(22:0) 423271.5309 207541.3551 324376.8264 286285.7326 220823.3877 263560.4722 270091.8217 174847.1476 751127.1824 285382.487 176058.5052 199910.342 410659.3807 332800.975 189272.9989 173246.5166 321143.8296 190620.5082 426157.5866 334177.0268 314643.9257 278858.3224 442618.6209 533375.2427 482775.2345 576808.0776 747251.5722 971185.447 736485.5561 618933.6696 706770.3042 666922.2295 594252.2389 FFA(22:1) 84057.58343 113304.1803 64736.73072 64239.91436 40719.96793 62682.16657 98313.95841 41468.55347 425195.2769 68199.05261 20513.87538 41030.85388 81682.68251 87542.83407 57280.29397 107425.8447 31945.48555 51741.27024 119966.5598 206163.5171 105759.8556 74148.98802 47582.4772 49651.96209 101327.4133 109612.6972 120192.3363 170163.5013 98874.90305 74754.1881 107380.0846 139236.6967 135547.7532 FFA(22:2) 60954.89755 20286.42333 13403.46043 16321.91272 13793.99749 34662.97329 35880.61238 15653.63236 110591.8225 21996.57414 14335.15574 17476.95001 17318.20193 41467.75861 20300.33463 26417.8926 25080.4387 24496.33558 25889.95163 85505.17171 27875.31053 14879.47231 31637.51416 28295.44869 26019.95444 32714.99871 31544.2787 35908.82962 41729.79929 37418.84125 26586.79719 39326.97116 61407.26219 FFA(22:3) 57046.96971 14760.38864 22397.81543 26285.16167 21663.87924 43198.02748 37158.59969 16829.16467 114964.9664 24409.84957 13422.04963 14208.8625 10865.03555 46185.1124 28608.74296 35526.84597 30658.7007 36957.10506 47093.21536 111098.4652 36287.2581 37805.45797 48245.57842 28706.99071 27233.27178 41632.78156 46536.18582 63328.43721 51501.72093 47129.30091 25337.36443 30683.75075 38412.32319 FFA(24:0) 326944.5431 179266.2922 500220.5705 432146.9529 311127.9531 269570.6001 344553.8688 243397.7564 2105489.952 358651.1295 230290.8074 277068.2317 663709.5899 328600.2785 251025.7937 265772.8781 644607.7324 232622.8083 380885.8934 326641.4009 392577.8787 467210.9459 266309.2463 274756.7714 205208.9537 296354.7637 327628.6719 761669.0354 314072.24 282404.6718 222214.5825 227001.8792 261247.7084 FFA(24:1) 268854.5956 147762.3001 164239.4779 131923.7824 152125.1636 189182.0814 173439.9179 88865.33815 331703.0807 143314.4108 77851.30034 64982.12252 187270.1344 265727.6489 200843.3884 214472.9195 209397.0635 197611.7892 230532.5029 274581.2828 274690.7733 201269.7853 153579.5614 107056.8426 159062.004 207756.1505 259649.8564 217396.728 370365.2838 162704.5664 102045.5656 231957.3438 206949.3257 FFA(24:2) 82436.40074 18062.55295 18661.72264 15145.187 26706.82316 38007.48438 37341.97887 37360.09791 62527.56243 39216.57865 13370.58557 11819.9379 19120.85368 72638.84966 23168.77536 33609.91342 45716.66188 27871.90376 26881.3064 75045.81605 39650.16631 54570.6409 47621.26228 42542.9362 37396.97117 69784.92914 61791.80156 71397.50532 59271.96149 49465.85524 25958.03188 68938.75669 88390.64245 FFA(24:3) 8319.187039 2710.359435 4151.085685 9080.357366 4322.791934 11516.82208 6305.032436 5735.807835 13117.38869 4657.277473 1138.380762 4173.970854 3821.217204 10496.63263 5766.377893 4844.06107 12021.37078 5982.005874 13104.58558 16030.60908 4328.104982 7091.569661 6299.330977 3869.941324 10123.5746 9203.953429 12651.42405 10873.05613 11319.69675 11132.95419 4799.57675 7279.851594 6525.809957 N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.45 349316.125 210216.0253 251996.4512 312605.158 189092.0935 242681.3085 279675.4879 174703.9291 453653.2783 264322.2044 163836.5676 258538.4652 213243.9108 278719.5504 298126.6561 369885.5041 279679.1802 192575.0334 362314.3886 357936.9263 393251.3325 313543.5068 112354.9848 232974.1905 236255.7102 176910.6873 193085.4297 211859.6403 266762.6947 235358.3742 181421.2498 202963.29 255969.9498 N-(docosanoyl)-sphing-4-enine; [M-H]-@8.43 422343.2932 149133.4536 154414.1254 157476.2865 144417.9492 188250.5116 308400.7042 157812.8523 313821.1115 292865.3952 143259.7793 217025.7534 175824.3041 168964.7752 114034.3424 222732.7947 179793.3196 114750.15 197071.897 261214.5991 235499.5888 263436.7977 64585.05635 174967.4932 144587.7555 169395.161 111906.4967 163615.9416 161310.4259 231866.0951 153058.7634 92581.8503 217232.3578 N-(eicosanoyl)-sphing-4-enine; [M-H]-@7.95 115672.1709 27203.36011 23217.8252 25371.5797 32245.60522 41404.55699 45463.42787 25942.86117 50983.74476 52810.91006 46739.46823 37123.90697 25717.30228 44400.23881 35189.50592 52983.75554 49957.82129 22904.39701 41301.62652 54927.74684 42400.04533 55422.39311 19569.14841 64746.97029 37411.60785 44906.90763 27224.16857 37647.39373 46290.72943 34349.6061 28871.54044 26767.93523 57728.84056 N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.87 42977.55745 25627.9586 44000.69917 35259.49885 47418.05492 42593.70923 81233.62328 49167.26178 61274.77815 61359.35827 30446.93517 26787.21439 24723.28065 55125.64796 45226.61065 57314.59183 60853.727 36187.29902 40919.699 44859.22375 53603.90645 58985.85041 24341.08394 43201.61328 45341.01467 23868.23843 27124.99874 39829.24071 31121.02839 32201.47261 35298.10724 46878.10327 44125.73788 N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.46 36775.10726 18000.17884 8964.075685 9607.927868 17650.49527 30816.07788 51831.87925 19410.38884 44533.65306 31428.10382 22065.30234 14924.13763 13224.26387 19151.93689 20665.51555 27581.91602 15703.97906 33202.87615 25570.17627 22215.25703 23572.071 28632.04106 17707.40382 31049.24897 31096.76752 17996.17445 22225.83672 21433.01011 23500.38508 15709.83602 16211.51656 40734.54514 35709.98737 N-(octadecanoyl)-sphinganine; [M-H]-@7.64 8195.322893 2400.872646 4954.716847 2312.701419 7360.11885 11596.92713 11070.05304 5317.556069 4428.826355 5505.658469 6214.515555 2537.559482 6750.711804 17656.29814 11310.40983 7973.654608 10177.174 4095.940608 6210.925805 13195.63098 4836.479249 11606.93263 4944.381394 5813.428524 6567.673414 7124.18952 6839.123225 2916.992222 12315.23311 3763.46614 3015.850394 8334.409965 10539.32409 N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.88 475418.865 333384.675 418250.4637 672210.2767 504921.3585 597444.7537 678239.9488 651660.3604 641309.2343 980611.0674 510041.4262 608733.5281 364317.0082 527370.4921 234595.8871 533233.531 596993.6587 368876.4102 467764.489 747563.4775 476296.6609 529955.7728 222403.524 834452.0485 455533.9973 434743.8033 378916.6362 545964.6828 501930.0643 350061.2174 698329.6647 294344.14 549719.4588 PA 34:1; [M-H]-@6.82 18780.62147 15386.94638 30715.08609 14194.61319 24230.04853 28430.11905 24028.87143 30240.55737 25543.58296 18253.5709 26363.86711 31951.49394 11643.51576 23725.32658 29528.93496 33806.37497 36401.54316 18269.85126 29693.09063 15533.11163 32781.94232 15300.02007 17759.77173 37726.57248 21857.99508 26411.73376 20558.73011 27353.77887 23735.44426 14755.5627 18090.74768 10258.74038 20172.26242 PA 34:2; [M-H]-@6.28 34259.93164 32004.20061 62147.7613 55824.24968 59014.06564 53941.36267 57566.23472 47958.72359 50208.52831 57987.55041 44058.87579 59692.08344 30272.94373 61716.44645 35288.07963 58385.84287 77705.42437 41903.76769 43318.59121 46254.0795 21975.11487 47123.39902 23958.95578 46343.47663 31264.54068 38849.23422 42887.84874 34983.39163 44405.16028 54797.34058 40887.42048 31014.69086 34329.16119 PA 34:3; [M-H]-@5.77 29016.29546 10079.5635 11832.78323 14303.31008 12422.82927 17480.45102 11690.4933 10850.95127 10683.64193 18260.03752 8691.253959 17607.4838 15281.41523 11350.93564 15520.53166 16727.20933 18218.72976 29972.00412 12469.37587 10017.97894 11768.36281 9463.704485 6579.122118 13215.71179 9644.075771 9902.658247 12816.01724 7622.2731 8731.435192 11234.43629 7803.166307 5836.188469 6500.57974 PA 36:1; [M-H]-@7.51 55532.43944 19503.24349 21760.74609 15663.1167 24340.86865 27958.57811 80486.08863 15299.49238 85343.29582 25265.1082 21542.86768 21059.50556 30207.18909 48984.58032 21565.92019 42806.83794 38782.86222 12258.16253 25896.62669 24730.34051 71004.63056 22413.52162 25500.24365 23581.49823 32811.10709 53339.46393 64171.62659 18729.83258 40532.6327 34324.2208 23873.19102 19208.88678 31476.35391 PA 36:3; [M-H]-@6.43 87813.19392 67732.17656 92452.84331 140010.0473 110415.0525 113855.4679 117560.3608 95320.96112 106524.5505 147913.8041 96345.69662 106593.7184 65074.24345 83625.66725 74353.14708 107035.8214 118693.1858 76317.70835 86530.36451 84754.50493 73222.31396 100722.033 56055.51816 99367.71045 89424.64156 78643.56274 90901.42998 67496.82033 58000.39117 86289.08627 96300.04805 56683.70598 81126.23075 PA 36:4; [M-H]-@6.20 52663.48099 29502.75005 44259.92912 65203.72722 50253.90026 41995.38375 67376.56443 60112.50073 69882.06204 68373.65956 42435.07711 66824.04451 44785.50548 62174.23031 23329.14572 69103.11014 97594.81964 33785.3824 51209.54387 55153.75713 80786.3599 37109.61012 19858.29724 46011.49631 36160.21049 59135.50317 61506.57822 32101.01077 52739.15985 62877.01094 50456.05015 38193.85803 51446.12207 PA 36:5; [M-H]-@5.97 25190.76675 36947.92221 4209.418756 6291.708699 8992.949703 4168.201304 6766.30741 8508.51842 9317.25524 8448.781823 13351.28157 14197.90289 7186.916143 8443.429523 20393.47253 8290.670895 19160.12448 8369.265662 3150.932041 20360.00143 6926.263546 2744.446667 6419.906977 20253.86782 10240.2065 20601.99601 10176.85525 12088.2378 10735.13857 23799.09368 8571.016176 5934.390754 7324.885598 PA 38:5; [M-H]-@6.05 54200.50633 114519.5021 57057.2457 84529.97382 61621.54812 92011.86564 115524.4108 47787.19861 64301.4424 71184.3479 38425.50479 59739.45967 64232.76067 51188.97618 61447.9528 85713.98275 145633.3111 37462.26815 93380.50312 78466.93533 80926.358 47572.24424 71451.46395 114817.4753 76175.68618 37590.89262 107411.3136 42583.81337 87895.20467 114972.5676 89125.4038 66906.92331 39314.97927 PA 38:6; [M-H]-@6.21 61356.71949 105313.9117 25878.06385 36129.31256 28448.50386 35049.14411 30259.84005 34836.47086 37942.25484 45201.611 33051.99475 23668.69097 36731.68193 28187.52775 61859.41488 35372.04956 48303.0063 51824.74144 27843.44774 51792.00994 63325.54353 25409.37967 32774.78173 41631.85388 24121.47556 41262.99112 29822.31696 30193.57734 49164.44018 49704.56203 44131.3801 29929.63528 46969.31269 PA 40:7; [M-H]-@6.23 70263.94922 105365.7419 29554.37337 47001.85766 54500.66042 27824.04018 52234.47767 37590.87158 59135.64613 58764.4247 37185.71637 42151.56617 54381.62346 34367.62793 63531.6903 59755.6995 48183.12639 53073.49027 32409.89264 47684.61945 82152.84229 51406.85752 43853.86946 32240.40857 32443.92839 39045.5173 46727.9518 46009.73995 61304.87778 59531.03439 55540.91243 41039.10021 59855.25407 PC 26:0; [M-Ac-H]-@4.57 1664.840633 620.8095299 904.9309462 8364.575503 2128.529546 2670.541056 4320.271762 4528.157091 1147.210233 3668.998243 1329.602769 10771.49301 2017.993566 1076.387827 1541.318803 3716.123793 3974.175448 751.4598264 674.2346714 6570.30457 472.6695559 1288.894322 194.8414071 2002.517298 298.6763362 2605.583438 897.919951 1849.497922 4306.73719 1185.763215 1475.609883 354.1241346 2292.10553 PC 30:0; [M-Ac-H]-@6.04 269707.4147 204253.7193 191370.6244 264939.547 209838.8317 157771.6855 361061.0022 189088.8458 267968.7147 173689.9677 165000.1231 222026.1056 225307.4653 228883.5039 210298.5407 193106.5492 267214.9265 254669.3472 186623.3779 190166.6134 268284.1841 149595.1607 84599.9915 197385.2987 146677.294 148341.0979 238854.7872 155299.9155 257501.1843 183268.171 126217.9463 184653.4801 144240.3243 PC 31:0; [M-Ac-H]-@6.31 49192.92227 49628.62669 59082.49058 75899.15876 66585.06701 52421.50565 46248.53848 58210.07924 63581.03368 51227.8138 65597.29398 56892.88331 37398.22662 52631.97776 37713.26013 55380.50674 27691.90025 57520.87319 58024.34255 55212.85434 49092.71829 48995.83947 47864.93382 61400.57116 71400.49304 32618.30715 58910.55233 32553.28512 40299.30764 44418.75486 56417.20542 37699.44762 29296.26453 PC 32:0; [M-Ac-H]-@6.75 227367.576 196872.1179 181418.2353 185366.4587 155277.2447 226182.7801 197098.1345 181431.4531 208906.8174 271445.8385 141322.0625 238595.0121 199188.2314 242464.6932 310382.1086 300260.333 216968.3263 204333.8733 258018.8381 193863.8544 280315.6375 113192.3965 140003.1676 245372.5898 153600.3935 131153.9021 108551.9383 217659.9337 196828.5463 158111.0019 170060.2938 191242.6563 168745.4179 PC 32:1; [M-Ac-H]-@6.12 404922.4915 241110.6622 143018.9936 127616.9528 193017.1142 180726.8288 310787.2755 314429.123 283884.0847 252621.3525 217245.4246 296409.906 179764.2171 225575.049 229475.643 293537.6566 456913.9396 228929.8841 277164.4825 267373.9633 170891.5134 152535.6515 130218.8363 352542.8082 182330.5724 288367.6015 189889.3837 218066.0789 271822.321 224846.0316 137209.6581 190754.4415 286219.8921 PC 32:2; [M-Ac-H]-@5.73 266596.3443 118303.1235 79800.28789 216124.0922 133152.3273 168287.0968 282309.524 124765.621 162308.2729 147599.2243 125451.7792 280687.611 132153.9251 115625.5238 96363.83729 124957.3253 156483.1344 198760.7082 84808.68811 149391.8859 123750.9504 119107.8277 47817.63453 146139.8181 119112.0268 195252.7289 60123.89107 114005.9484 94341.44711 95386.52818 65274.76814 25083.56785 102133.7599 PC 33:1; [M-Ac-H]-@6.56 67959.56395 45133.16551 32510.96298 23172.5208 73957.46512 34130.22198 67938.79855 63970.94547 76769.08015 60438.8264 49565.43688 47164.51241 45504.07031 90603.91646 36780.10333 48980.04054 69779.3141 27590.86694 29505.81512 63162.65157 28992.36036 54967.56282 33760.21231 72179.32632 29876.11478 71493.29257 43788.99159 73347.93398 59599.93305 65635.74123 25631.75091 19224.78178 59954.41261 PC 33:2; [M-Ac-H]-@6.08 124709.2983 71562.49312 82814.70305 99108.66875 101020.3865 91539.36793 141018.1987 67652.97762 122004.7884 103919.3217 56254.40252 106578.6779 68983.47359 101890.2754 51273.49871 79798.24474 109331.0672 73949.97282 98154.35397 78223.86583 79307.34452 100370.9274 49962.63079 146625.9364 80503.31403 73004.06655 91912.29748 68446.60637 78806.89351 69044.82307 44814.59229 50903.46957 137822.5279 PC 34:1; [M-Ac-H]-@6.81 2028060.806 1554018.693 2219963.622 1738398.975 1686001.799 1517686.202 2248932.405 2337472.267 1928666.974 1707430.15 1825311.241 1869798.097 1466852.891 2137219.883 2005726.089 2577073.791 3753172.404 1556423.976 2871241.488 2078744.921 1640361.673 1562709.529 1025946.746 2022562.277 1470946.278 2018082.32 1878363.707 1810263.233 2538292.986 1635233.173 1169798.332 1180873.408 1618126.09 PC 34:2; [M-Ac-H]-@6.30 6019174.519 3495342.821 3265591.822 4944119.573 3658100.19 5223067.437 5559558.374 4429419.673 4906993.948 6533167.507 3327013.104 5220333.484 3118491.729 4467722.662 3107415.476 4269316.506 5604873.724 3439273.733 4039339.673 4004367.145 4300694.079 4619242.137 1968658.488 4576278.852 3142992.241 4495566.049 3208376.766 3492529.367 4217850.02 3173828.176 3308290.352 2529813.947 4115314.009 PC 34:3; [M-Ac-H]-@5.95 441007.6076 211796.7224 230403.2768 315419.0098 289364.6169 369762.5792 403809.3659 307355.7715 342991.428 451011.2904 222891.6064 410082.8928 263206.0404 309146.8759 235739.7659 383304.839 509684.552 360451.214 389832.9171 384144.2407 336525.0903 232317.9263 140397.0931 396091.964 286176.9611 355978.257 173282.7658 193133.9718 238001.0834 292963.3521 229179.7487 101647.9596 207703.5078 PC 35:1; [M-Ac-H]-@7.13 86141.97473 87539.49436 56399.0246 35986.2225 40566.81776 40865.92518 81694.0473 63014.59707 68853.69936 77339.79655 56076.19646 96888.67 51228.08623 59241.18784 39388.28281 124230.2735 77748.3075 34551.48569 84973.39727 47462.26336 45005.67278 34454.67674 48966.536 97503.2344 69528.32818 111236.9106 95048.90309 103706.9383 73596.01244 70253.74327 38802.63464 43780.31087 122777.3992 PC 35:2; [M-Ac-H]-@6.66 344207.6354 131922.7035 103105.7961 144050.6459 121193.8434 175982.6724 142033.4111 62885.21511 107637.9132 175735.1127 72813.52103 129153.392 119112.662 123509.1944 58439.64989 116104.0825 80880.89476 103928.621 139459.4862 111469.8599 90592.80662 78542.03016 52949.27448 120661.4363 159957.1565 221130.9721 159042.9318 151815.7662 113777.8991 85479.42814 69485.86125 56875.57868 199674.9585 PC 35:4; [M-Ac-H]-@6.08 135084.1901 73815.68468 59011.02796 83595.24457 92531.4401 55764.26338 75228.57374 67522.72162 71676.96663 126115.9438 38837.62653 63649.33665 66043.84689 106299.045 49542.42866 89812.02465 91205.63164 51081.95557 72521.24423 115663.6562 78984.15431 63769.70155 68964.88015 61233.39843 60957.73487 75495.63621 110446.926 57926.46869 97413.28185 104982.7779 76181.82168 69569.88686 84454.3542 PC 36:1; [M-Ac-H]-@7.48 588907.5568 513323.8435 685870.6845 636802.9432 653495.2992 532699.9359 751041.3737 844904.9199 691017.6996 655749.9033 673596.7634 673734.466 612435.223 737110.3599 505118.9633 830586.522 952931.3953 476578.5536 1140070.782 562971.8874 637521.8404 492082.5928 378696.5689 757007.1147 525642.556 733042.105 693050.6971 672913.9292 902342.7089 588628.3497 372933.2614 338849.5158 556986.9151 PC 36:2; [M-Ac-H]-@6.98 4204600.31 2450547.399 1761755.724 2275261.561 2045139.229 2788632.856 3512386.147 2061823.281 2996405.277 4355756.807 2005892.219 3142915.796 2279167.146 2328048.727 1276057.159 2346970.364 2285194.049 1752953.217 2365268.997 2212319.235 2343008.012 2462259.647 1345007.174 2703073.562 2222199.191 3233827.169 2164288.477 2930592.256 3254318.74 2113134.92 1754461.464 1318830.115 3126175.647 PC 36:3; [M-Ac-H]-@6.52 2151850.46 1084607.784 1264683.038 1713791.78 1230111.574 1841809.123 1709931.629 1565119.6 1728031.278 2334376.366 1394568.637 1517356.946 1242341.746 1380925.172 1006755.607 1732920.439 1484944.328 1195618.794 1617423.955 1564234.506 1627359.104 1376508.636 971421.2452 1856044.76 1295036.519 1351887.83 1102818.721 1588529.418 1253079.782 1353296.57 1181430.968 692474.1058 1137316.808 PC 36:5; [M-Ac-H]-@5.83 395618.5563 1420406.679 146852.7363 258379.7331 229403.1338 215548.3777 267687.1979 267278.9858 322073.2405 261723.5534 261896.3083 314234.7215 309189.7109 187285.5396 638878.4036 306247.7299 439585.5822 305674.8532 311017.7348 427323.2519 456830.4053 174939.8814 203837.9673 431421.8828 179783.1706 354477.8556 185181.8259 199654.6552 310302.6385 314790.3697 180773.5825 135682.1954 205079.7562 PC 36:6; [M-Ac-H]-@5.54 86684.05163 145296.4985 25906.1437 59633.59597 40899.93915 64953.50689 50647.65688 74365.03804 63674.41415 56371.1264 47266.20153 89019.97319 43512.30097 48268.19197 62544.04626 77066.89423 73156.63722 60371.75766 95975.09098 81388.4274 66605.70209 31891.99494 26950.23161 97367.69951 53828.53344 60021.86301 34162.3217 81346.37038 37734.63873 36909.72589 39793.72383 40570.29659 47793.34008 PC 37:2; [M-Ac-H]-@7.34 60139.50657 33190.86491 21068.07348 27532.81553 14820.37416 27789.93833 31320.85377 24191.03964 32875.20058 39214.8245 21489.94196 19819.34387 20084.1762 31129.05295 7954.456277 34773.84957 30798.89967 18047.41806 29879.27724 21947.32836 34293.50473 18330.82141 13675.97311 32392.76519 20801.47705 30115.25887 18978.26068 27233.64079 17160.26999 25112.81561 11870.82277 10808.24408 31513.74786 PC 37:4; [M-Ac-H]-@6.62 126114.4661 57602.16896 72651.65668 73074.79181 53691.95706 39483.92494 90747.36618 41393.30011 85952.15467 115105.1412 35094.06106 46582.96756 46808.29575 61362.63744 36493.31361 107682.9647 42386.30109 32136.89195 111909.3504 58790.30778 130837.1068 41069.84729 59602.72854 55289.5454 39561.88532 67104.29586 55322.35794 50219.95617 45705.2552 77047.76497 52186.74859 50266.05442 72367.93921 PC 37:6; [M-Ac-H]-@5.86 75953.77227 89008.42076 28219.34769 44427.14062 32955.40602 27872.13281 58261.64581 40096.1791 40237.17826 53426.91297 20558.15594 44631.50186 33546.84848 36151.97387 54718.38914 70354.53182 47268.1487 45394.09913 53489.44667 53595.79199 77134.43358 45932.88171 30264.16267 39148.49243 42097.61311 40836.777 34494.76056 41094.93876 61274.64233 39180.3725 47167.30789 40895.33694 63113.95957 PC 38:2; [M-Ac-H]-@7.63 139441.2878 109516.4542 119457.1373 149441.9695 84163.66047 137140.189 170033.5346 103988.493 160417.7922 151497.2919 94830.72686 83187.44274 126106.8409 121337.238 129909.903 119404.6917 171075.6234 84816.16717 143011.3048 99206.33083 131506.7267 66026.26051 102491.0398 133489.0528 88549.6148 99214.49026 72886.51655 103380.5155 160609.8805 58569.02894 84004.63213 104323.1037 73676.38823 PC 38:3; [M-Ac-H]-@7.25 1081493.903 397865.1289 358208.2833 377075.2476 376996.8271 549911.5976 671440.6558 444508.0729 606607.0349 786438.6811 711119.0379 534911.3547 471650.5383 486663.5772 244727.5378 634380.8486 343149.4841 402362.4612 638153.3514 568133.7971 629358.1462 531450.0635 440372.014 826785.8787 531554.8299 627178.3976 313911.0592 962132.4052 525417.5891 563880.6687 366454.7442 193723.2563 423846.1992 PC 38:5; [M-Ac-H]-@6.50 549226.051 1010184.811 324109.4201 516183.7299 513621.1282 494188.5922 519614.8766 471211.9552 581206.167 672261.5075 419438.1904 468493.2333 504098.0494 392666.1596 763432.5656 691579.7185 539220.6333 546305.9188 569586.7941 737830.1345 789582.8127 398126.5859 508271.1758 781181.612 432528.834 533182.9001 330408.3169 566223.9813 552943.5271 569846.7922 476214.3477 389280.2154 559706.9204 PC 38:6; [M-Ac-H]-@6.14 1072267.072 1397964.934 459627.9152 655253.4512 577879.4047 614569.9907 587222.5098 575519.0685 731378.9336 862599.9754 472987.7151 593759.4508 577028.5209 476575.4365 989749.9465 843305.4535 633582.0442 864553.1645 618093.6303 1057469.092 1305027.653 602581.3411 592518.2069 688655.7557 460724.3044 718374.2383 477906.4404 716509.8447 1004348.576 580535.1672 784694.2936 693260.4381 1067559.678 PC 38:7; [M-Ac-H]-@5.60 236908.4164 348419.6052 153823.0755 254317.1439 154547.7829 396254.1627 125879.823 166556.8442 214620.826 310888.3085 159045.1691 300035.0691 155628.9654 293830.5744 281089.3556 244167.3702 185109.1603 224687.5434 330978.4815 281034.1157 283523.1507 179325.2402 129401.7078 267112.5075 295337.0468 169645.8422 148685.5558 217103.7092 208555.8638 107612.4138 126861.6883 129556.3828 222972.0594 PC 39:6; [M-Ac-H]-@6.54 41549.8642 40853.13364 9149.832842 21344.34597 11719.53003 12585.21771 17688.32034 12876.29247 12910.01763 20383.8568 13352.46079 17020.7548 19177.23126 15214.46464 14379.05298 27985.70607 20749.64116 17833.26583 7925.863354 20028.64452 39475.91406 18149.91073 12629.61706 19175.1314 15655.17661 9342.844666 14146.06835 13456.7669 23765.6498 24996.17874 19130.25685 12812.62781 31541.63949 PC 40:3; [M-Ac-H]-@7.82 18368.48661 9523.059569 6411.871292 6092.797509 5509.238331 7059.362607 11303.70116 12328.96184 6196.302131 23996.31149 18828.71648 12696.61706 10640.5506 8254.644654 11357.91109 8780.205138 6807.953654 9697.913273 12355.28034 8976.586255 6489.159348 9013.294624 1991.712182 22208.78737 1622.446388 20782.39385 507.5873874 9738.08794 15045.10616 9733.327501 9699.186256 4571.993493 18938.76067 PC 40:4; [M-Ac-H]-@7.47 82367.60562 29041.62345 43951.85644 40629.0941 45448.93318 38141.91106 65464.35768 78885.51183 50734.64965 72288.8608 53627.14252 39860.33571 51081.07429 72146.99125 44655.56917 100992.2665 64800.46517 59009.94966 85615.62612 44848.43022 56887.93087 45855.36383 48165.10246 106416.7097 55871.14937 57763.95741 47362.93155 112371.8641 40240.61804 74563.39569 37030.37623 41386.87397 73820.74171 PC 40:5; [M-Ac-H]-@7.11 110462.6134 111385.6814 110023.494 113187.762 116857.5279 116540.645 145710.4301 158305.7829 69150.82561 126159.7366 150817.9868 105929.2168 128098.9831 81318.88895 187408.0868 182972.0779 144001.8981 134467.8297 223635.4871 142769.439 171926.1762 120064.721 106770.01 173637.9949 110762.1617 106774.7186 91492.43703 168966.4264 142031.516 110881.3078 121054.6743 106164.0693 126862.5466 PC 40:6; [M-Ac-H]-@6.77 265310.6048 345933.9093 102819.1339 158845.5309 145197.2784 132934.9947 209067.9299 164739.147 168987.2926 247273.5591 134802.2559 145153.3359 154006.353 108075.2538 222506.0805 220982.8303 116934.7341 235437.9931 165915.0623 287499.2047 335694.0646 136824.4714 161724.8452 170963.3527 128857.8249 177219.5426 90194.54172 180836.5671 298847.5349 125387.3533 216301.2883 143163.3709 269138.0484 PC 42:10; [M-Ac-H]-@5.83 30165.47177 75694.17035 32406.15494 35626.97124 35060.19213 56338.03804 39605.76311 48063.51981 41788.22797 50102.45242 38352.71702 38878.06596 28470.98773 61281.09971 106439.2873 80767.14646 42011.66441 53773.03705 88668.9623 56256.14546 54122.74488 45644.33539 31200.99958 73077.04129 55270.21892 28940.2606 24275.78808 67647.15865 63267.50335 27260.92296 37681.41764 41272.5247 63596.01981 PE 30:0; [M-H]-@5.40 10706.70709 2730.037297 2047.310012 5934.961837 3970.075768 4506.345041 7360.006856 17519.44216 2212.631362 4709.895181 2712.34318 18077.0466 1870.385799 5091.23693 2420.543646 7824.057664 5409.982736 4498.333568 2750.439915 4564.237555 2369.034045 1455.028929 732.7011721 5956.25396 1939.364426 7162.094809 3986.391104 7672.805286 2984.076667 5965.774794 3461.487863 1618.096851 5277.47135 PE 32:0; [M-H]-@6.78 23626.37893 9263.174214 6217.877816 7614.972089 4694.939164 19737.09147 7246.481838 14499.30084 13559.34821 7511.293212 9389.114484 9981.977056 9036.93389 11320.37555 9271.439827 14227.57039 15009.99355 6067.987048 18725.66559 12940.32882 81365.24312 8059.840925 2692.624425 14322.55367 7540.335773 13316.02147 5101.111434 18963.76041 9383.414978 5429.780037 5457.624716 6778.785829 18061.54418 PE 32:1; [M-H]-@6.27 66971.2726 7775.332106 28111.88081 23694.18485 20417.95149 41698.6412 34406.39095 128051.0738 59921.05221 33886.95635 54820.23939 59460.79725 28579.96219 85538.24192 36603.95754 35829.31401 96728.42961 36489.36157 129293.7589 45332.99958 54853.9815 23144.57765 8685.166676 56091.92404 19536.33778 30767.3398 23560.87694 36533.35619 29052.46334 15504.35399 10788.41354 14983.8143 28845.21521 PE 33:0; [M-H]-@7.05 19910.1155 12952.96808 9562.225719 7493.803138 5399.37483 7403.408943 7536.384395 8492.286851 12335.47002 6455.515641 11671.52644 12321.93265 9293.676865 8282.473268 5053.027565 5764.717867 3937.544524 4027.787539 8898.085133 7507.540666 14760.83391 9335.335969 11869.6406 11696.21582 6691.770404 5789.938971 5862.293333 7819.71006 10889.278 9179.737575 10115.85475 9418.982869 7100.906444 PE 33:2; [M-H]-@6.11 43987.8068 11410.278 58135.11132 19936.66761 11959.98458 28048.25993 16992.73871 29013.07962 25642.73517 23954.9798 11220.56864 31039.17239 12423.86163 19788.86219 11233.27815 14747.8935 24124.23263 17079.23296 26629.78534 17146.17101 33973.55781 11948.66782 4727.83284 22384.49063 13060.26046 17586.85591 8505.999345 14420.02456 13281.37048 8583.397005 7106.257948 9296.383105 15349.65591 PE 34:1; [M-H]-@6.90 811717.8563 151189.5227 472585.5531 243301.0515 179250.7387 511064.3003 380322.1205 612209.876 488832.5911 346109.8277 446039.0965 461255.9214 399459.6606 652446.3751 531271.0633 323055.2885 614003.3592 323575.3362 1110517.315 469158.4636 1697848.846 427051.6743 153777.6823 459909.4877 266109.0177 352861.9149 197890.7229 571216.2698 274874.351 109163.5459 107869.1101 175032.8008 405706.858 PE 34:2; [M-H]-@6.46 2136483.783 354499.1986 1005185.96 1090289.129 436413.1882 1618243.759 1019501.312 1340682.301 1479995.535 1254105.326 947210.2855 1358743.483 897971.81 1668263.693 635817.5608 588754.6312 1151631.36 932907.3706 2073476.435 955382.0777 1219921.597 1413292.592 352553.3587 986969.3483 802754.9344 1017144.234 583401.6342 1156783.855 858629.4534 265155.4214 236829.4564 501122.189 950693.6883 PE 34:3; [M-H]-@6.00 532882.2118 106551.9419 140278.5103 203166.5183 75012.12272 326200.317 216653.5392 255986.4782 392714.2159 178802.9914 145590.2649 348045.3656 304805.2728 429689.164 134951.2845 107581.6651 370831.0918 331793.5629 636106.8465 298942.6665 376596.5797 185678.3452 68056.12936 187433.8674 194604.1451 320026.3057 118353.3586 175241.1087 164881.5119 74714.43646 56811.27528 77796.67048 159559.6918 PE 34:4; [M-H]-@5.75 22621.75145 10278.35936 11473.08405 22070.3713 10692.86052 15288.69638 5803.925043 13452.98539 9527.48452 23281.41818 7491.239678 18055.34658 6943.551233 13371.52512 8268.793321 6414.764867 8642.588319 9533.356191 23852.32589 7100.140483 22693.78286 7771.873994 2955.923182 27384.46688 10035.36102 17370.78344 8534.88656 16017.75342 10215.77659 8525.790819 12290.14811 2702.571566 6620.143526 PE 35:0; [M-H]-@7.63 11690.11129 8572.510502 8541.618312 7203.299943 20980.35806 8351.013555 7706.271486 10683.39801 10659.59811 7082.641908 5396.220967 12941.97978 9194.129271 8711.774039 10541.61176 4706.088539 9640.680995 7503.241778 13380.46838 8012.687006 8193.558172 8585.655656 12173.86274 17618.17806 5135.354308 8931.148326 6319.24831 9224.449018 10768.46719 13143.20608 5937.962945 3810.980657 9857.941469 PE 35:1; [M-H]-@6.55 54368.3713 21649.92755 18100.30472 20192.15705 16547.29369 25178.36721 70737.95945 31322.15889 20340.53073 35931.75365 22233.36106 25636.46743 21192.7951 26643.22152 24314.03042 39343.26808 25098.39016 25844.47163 30239.5117 21946.70799 24240.15108 13562.32843 17749.08285 37706.20469 25525.37727 17794.16499 22916.33746 28782.66034 27111.05288 36148.70627 26732.75817 17526.65674 29926.8421 PE 35:2; [M-H]-@6.73 207419.2142 22683.65438 45347.90749 24561.43704 31258.05357 68541.39394 51218.54011 77239.16053 71657.43803 119077.3517 51267.66049 73806.35249 57847.62114 69345.43742 24396.52342 33918.64891 92502.98244 32420.87686 56998.42795 74320.4707 29534.58875 69179.68453 17258.93866 101091.6079 55453.79467 94606.73873 44415.86217 96446.86558 28636.22427 33038.00285 28800.80661 25019.20615 68979.97143 PE 35:4; [M-H]-@6.09 69292.16897 17910.50008 26842.64914 32550.62178 17434.21852 28749.33482 17902.76734 31782.39743 39712.89567 33528.28805 25593.16358 68064.30276 29547.97245 29010.99423 22156.70453 28905.46991 35543.38581 37638.50797 48179.61589 27622.57338 87429.85741 22616.75522 15907.43126 35041.62386 13745.2693 29710.04745 23619.10358 29872.65941 31404.70149 16110.89563 17476.0169 13522.97324 32743.12068 PE 36:0; [M-H]-@7.90 114531.2473 56184.94254 51515.7834 53450.28262 59816.10798 58259.07292 60069.86737 51628.25056 63147.42517 64747.4006 63662.57883 67450.67659 60709.48307 56960.22062 57766.64985 72401.1591 59360.15501 67235.21895 78361.16243 78122.72667 65824.91826 42807.07396 56198.16238 75128.65089 61310.33243 68059.2912 56602.22184 76523.45666 59894.93646 59885.00896 46655.48686 43182.84931 80179.85789 PE 36:1; [M-H]-@7.48 794040.6159 257724.9506 463883.0598 263155.7622 231336.4194 691603.3424 322947.0674 462986.9303 558734.0194 556347.0812 536702.0716 449424.1549 760247.486 624321.7895 366763.8979 302141.8089 731622.6389 295936.4036 1315346.703 427245.7504 876983.1362 586518.8564 199584.2929 549576.711 373301.5137 481596.1086 244131.1595 932248.614 433284.4752 163813.2142 105808.4393 167672.1706 384043.5719 PE 36:2; [M-H]-@7.06 3463722.527 1064630.533 1896822.707 1897573.2 1176968.587 3954030.453 2493683.562 2518136.844 2463940.123 3751701.049 2282337.379 2824886.661 2239861.302 1877105.643 916557.7555 1380000.256 1957069.379 1513622.289 3686424.433 1577441.322 2107093.677 2344424.44 784818.7576 2887499.767 1797929.915 2383013.584 936731.5585 2455541.728 1585149.669 651730.0253 630459.1721 628145.0106 1874792.543 PE 36:3; [M-H]-@6.58 2196224.846 472904.7101 822699.4607 1087204.687 482807.7351 2109129.643 774947.1412 1038639.11 1201700.473 1744846.458 961227.8127 1095863.467 1227373.408 1064840.003 540324.694 505165.638 1133460.353 640618.2544 1915323.435 998092.0427 1545249.573 981945.9883 478526.1818 1699102.764 925017.6939 1424714.28 521120.5253 1586624.586 655215.618 326493.7305 292748.7888 284021.7725 765912.8192 PE 36:5; [M-H]-@5.96 646489.6187 1486442.13 100955.9499 190817.5875 119532.0465 235275.8374 235792.5881 514826.0327 405622.1565 241184.0364 300703.2975 429532.9141 335006.1977 291392.022 593788.2272 196909.934 369893.6742 416905.0806 791274.2203 481327.2951 664783.1052 144954.9919 82263.94239 477881.6897 166103.425 444131.9464 160963.5894 230316.6511 414594.258 141167.0421 59438.8627 128976.8626 218918.5191 PE 37:4; [M-H]-@6.66 292507.188 39269.92548 54897.83476 40789.34223 37661.82033 73620.50515 79620.01053 67878.2414 99099.91248 145872.7152 74361.10398 63872.48816 46494.17936 62756.5586 61936.06565 67052.21118 72020.59587 59693.30665 119463.1921 69685.14221 73853.37577 59664.92395 57239.28641 144036.267 71266.60773 87844.76308 70144.13931 101717.7456 66615.02486 33576.92264 61543.23549 45781.27999 124989.3619 PE 38:1; [M-H]-@7.49 337564.2505 343198.0658 428151.5178 294575.5917 399297.5998 413654.5224 429140.7258 514600.8641 338299.2414 440946.821 398537.0227 442768.3427 415705.8318 444488.3856 311004.6979 513151.3191 706945.5508 301307.0281 795622.9653 388685.7761 406097.0364 343299.4974 245669.0819 569449.8905 301963.4126 396108.9404 445520.0999 319911.3137 548611.8713 382270.0818 242615.5738 188897.1487 363668.5113 PE 38:2; [M-H]-@6.94 1430879.183 1335813.873 1404441.944 1728826.599 1518255.005 1664106.917 1893491.715 1544265.889 1432244.184 2316827.266 1302096.542 1868221.168 1143120.625 1171787.107 782204.3776 1559005.243 1493997.223 1002431.892 1491778.489 1312745.488 1803202.208 1269257.881 667292.7736 1633480.434 1107135.318 1311861.619 1148199.002 1177828.302 1437429.188 1266674.8 1413775.038 586866.6094 1198060.168 PE 38:3; [M-H]-@7.26 1396057.358 193324.789 262028.1844 254693.4838 165486.5348 554438.4377 436480.3318 452101.6188 591502.129 682611.649 244554.7607 480702.0186 418865.736 265011.8032 399821.9623 321605.0273 403255.0148 377260.8758 575250.429 509313.5749 357420.5907 402795.6445 256120.1117 712776.0771 392714.1785 457171.4385 207168.1706 906006.2272 387729.2547 197069.1854 132727.6595 264974.7777 402281.1024 PE 38:4; [M-H]-@7.03 5205884.152 1235097.38 2141969.963 2437693.089 1940589.091 3161414.979 2730456.146 3661626.566 4107916.151 4859497.82 2559000.156 2784143.931 2904113.76 4006972.472 3652951.033 2777126.554 4495735.996 3353860.919 3901226.031 3858700.799 4261973.513 2849976.718 2064111.786 4355467.336 2246388.41 2781858.324 1890937.936 4250379.554 2964119.297 1456939.779 1453605.037 2795911.116 4164472.293 PE 38:5; [M-H]-@6.54 2549727.599 951798.7633 1049270.201 1137020.525 713370.0781 1459648.977 998724.8829 1355598.916 1861963.857 1851156.809 978431.8668 1147341.568 1754789.34 1903728.706 1966312.391 943007.0366 1543145.336 1253859.112 1981135.904 2019207.396 2161194.639 1025300.351 772229.6367 1900910.816 1086826.883 1220907.354 855755.714 1800183.286 1334223.218 581429.1753 546622.1865 940125.9646 1604778.808 PE 38:7; [M-H]-@5.75 136163.5886 41561.14403 17240.10635 24448.2199 20621.40182 46399.04222 29291.27121 25869.19306 58302.41158 59547.70289 15499.93053 24533.19702 51031.66541 21133.83891 42919.56271 16969.34721 19411.73139 70970.38207 40710.62566 69573.22321 35532.36782 32142.12715 16014.45869 50576.56639 24370.67076 39087.97616 17340.86629 51591.39168 43050.60281 15864.85784 18455.05367 27189.53942 49369.5317 PE 40:2; [M-H]-@7.64 87092.90002 87689.24838 89298.94055 90792.48748 78519.45036 106209.9952 97547.93263 137243.6954 84908.92024 130867.6458 63539.78184 77802.73463 62127.63228 51011.27807 57528.60062 103888.3824 53862.72115 58319.95143 100161.159 90641.71964 106695.0926 39732.06689 38385.21859 81391.69197 61799.42948 67261.14112 48334.85434 73278.31019 88701.39421 52816.60408 58473.8012 40346.92262 85167.08397 PE 40:4; [M-H]-@7.46 258884.7828 144390.1107 66937.88452 80799.65666 92811.03572 87279.89221 85110.05345 116875.4816 118014.4487 146015.052 105714.5478 105259.0817 107207.2181 201934.9195 183375.8878 106055.9133 343942.3465 79812.94551 191101.2808 127250.6169 154013.0551 101154.6233 95671.16007 223383.5168 124480.4856 112199.7119 121916.6178 283757.3336 157551.3961 109561.8325 96528.72155 140421.9612 262659.6996 PE 40:6; [M-H]-@6.95 2447316.667 901348.4678 489318.9386 344117.8359 257597.2768 749671.3871 704993.1033 513087.8244 1283776.702 1081168.964 543613.3587 759054.372 932930.7912 969510.1492 894341.4985 446203.2809 578249.8274 1381091.074 894315.3761 1353282.963 974969.3401 879311.6581 459295.6355 686725.5207 530624.5823 860842.0417 261117.1652 986656.517 1204278.735 224632.8417 260951.8 651924.4701 1236503.751 PE 40:7; [M-H]-@6.43 651140.6499 314639.1742 98384.98985 138048.0974 78728.54011 202326.1925 93343.74748 89770.53229 257784.1337 250848.9783 78672.2053 148818.5212 297041.2269 202716.7968 285284.8447 98765.18495 124028.2339 264887.5036 146610.6871 414508.6696 540423.811 180230.1202 147178.3686 156694.364 151583.1956 241094.5127 123385.9362 281702.2926 292614.473 92953.64071 89239.88332 135257.8853 289938.0778 PE 40:8; [M-H]-@5.97 155524.3469 56676.98192 22205.9263 43940.01585 30926.5571 63166.26701 29691.64999 46985.49777 87055.4847 63449.79849 29278.08797 44570.38557 61017.70945 76143.2976 108034.4013 49972.88678 127638.7497 45912.59476 75306.45375 124991.3497 271760.4533 57750.61902 70902.65212 66731.89405 49119.41462 63049.5247 54988.24013 140147.5632 77795.68203 39447.89542 29300.50501 60034.18099 77799.40165 PG 33:0; [M-H]-@6.07 34419.37754 44166.45971 81052.17166 59654.0001 54225.95453 69461.41658 60257.02974 44824.79276 83929.66785 43520.46204 80454.0631 44486.88241 64573.54877 63956.79879 55139.32719 43243.50513 71866.65278 57404.90848 60836.45686 44098.71519 51426.67008 54531.2051 32755.23326 32775.4007 44786.53439 31466.89352 63010.04997 40855.50724 48589.4421 37832.70306 46769.16475 58086.68446 31396.52218 PG 34:1; [M-H]-@5.83 85629.22363 52165.80103 18784.55309 20747.34359 28800.20733 38584.45362 36497.0178 49685.30245 46161.01609 43804.13999 33179.79589 38589.93588 30404.90385 30981.98884 29806.7705 35449.97395 37839.60419 22437.62695 49104.694 33302.69618 33881.47 51188.27523 25087.91317 40252.56669 6992.944192 62341.57769 34188.10609 41747.07788 53143.83708 8097.965751 14912.62715 21704.76719 24473.35807 PG 34:2; [M-H]-@5.45 42129.2812 9781.49484 10656.05845 8952.366121 4924.368372 19961.6365 26127.29349 33353.54995 19944.78726 12954.21388 14276.79568 13977.48104 9251.95333 21326.80401 7788.985124 8252.892537 16017.6393 7462.552547 32551.56321 21124.48654 13314.43035 18862.63865 9524.991675 23949.65552 9498.069511 21766.4302 10247.51468 21414.23135 16085.02074 4937.09908 6666.904228 4855.847326 11552.50951 PG 35:0; [M-H]-@6.62 13935.49753 15528.32889 10749.95642 16799.0228 12147.1988 8483.721884 17710.46322 13421.53265 11754.57577 10087.2279 15891.57948 44811.57195 12335.34485 22316.44416 23393.11228 12739.57514 22363.18675 8934.871914 16128.69264 19684.07981 14848.52922 24716.2175 11790.46151 9953.35785 12705.74084 10116.91743 12532.05255 12510.95412 12250.53739 10915.49756 11903.75078 10732.51363 8322.739152 PG 36:0; [M-H]-@6.89 95802.20546 95451.80239 116360.4395 100132.798 95779.38583 64329.93511 97768.95133 85031.29971 110202.7231 60012.23371 85334.19338 77031.20257 82081.99321 90637.90722 87682.77488 127682.6289 97196.49033 93230.39704 93311.71908 97882.84921 78032.63429 80808.26105 68329.93374 78849.21069 87232.27155 46155.97619 102048.2966 66867.51371 60343.24355 80677.56017 90298.5122 71280.13353 61087.02243 PG 36:1; [M-H]-@6.44 57903.35919 45630.39193 72062.38215 24851.49393 49474.82499 48555.41901 31635.87143 33287.12711 86290.81704 30993.95423 54504.29299 28704.8215 31688.69684 76942.81165 38979.33154 45047.05109 55115.56719 25571.96894 65524.97657 32611.10858 47507.90649 56334.22111 24757.6667 31532.70256 23886.76243 57334.36412 45698.47071 35286.02601 71758.26701 21919.62549 30330.39559 24404.07404 22452.69354 PG 36:2; [M-H]-@6.02 140447.3311 69075.86308 101024.1676 103796.3046 47728.48441 218143.2877 211822.6631 181596.2658 203592.1838 173495.6963 168498.5488 162034.2048 132048.307 116918.9837 91192.1589 139004.9246 73049.77557 130825.0763 248455.8504 85801.97369 121545.045 251706.8618 65614.80908 171387.0251 122953.2685 127123.4824 54444.44287 145609.0823 94688.72666 27501.47389 36843.13582 54958.01506 85819.09237 PG 36:3; [M-H]-@5.31 36797.7722 18970.70199 21320.38316 23508.92632 20217.08296 24537.19383 34235.63803 26388.24392 19157.60405 35979.36375 19972.33929 29429.91568 19316.54103 23080.63204 22573.92717 27026.72347 30255.11134 20194.40502 30823.99289 18086.33345 37377.73374 24607.7242 9525.34279 31719.3531 24940.81975 21565.78019 18312.46938 31168.55236 26914.38507 13983.95432 10681.69998 17632.74016 19977.59879 PG 38:4; [M-H]-@6.05 30393.096 10603.29973 13257.96129 11643.265 15465.01166 19339.88608 22591.42165 23270.26741 28332.77251 16623.78543 20488.09487 16089.49148 22134.53097 19564.00199 21645.84902 36690.55628 27493.26241 18380.3095 31908.8948 17011.8497 40201.88389 32920.15142 12443.29832 16977.23392 17343.08662 23111.47358 8151.881535 31815.6156 15394.66923 12139.87171 7379.183622 7907.116407 18387.48504 PI 34:1; [M-H]-@5.68 128647.8675 102343.3608 81122.73604 76860.90845 102546.5373 91082.18042 71270.59946 140664.654 122461.1836 148124.9339 93306.5242 119463.2615 59268.48107 136336.2573 96275.17748 165832.4952 159874.732 68528.45524 167286.5768 120464.9566 121187.5446 87379.2725 56719.79747 129810.2502 93800.83335 114030.4577 87548.10353 148590.0967 85388.4048 65143.19337 61449.58459 41345.84408 129593.9768 PI 34:2; [M-H]-@5.22 90973.35973 137244.9975 145682.5558 338549.2237 113569.547 235072.8892 166494.5433 160054.4425 204712.0342 130538.5994 136047.5735 175592.5834 91850.49017 190495.3466 162633.6757 216489.016 201375.7718 141280.1698 445595.4942 113211.6868 175589.8783 118038.212 76402.62682 113854.9165 174218.7334 67790.34483 81956.48542 98473.29818 120440.032 69697.59153 113375.0297 65929.66948 100887.7264 PI 35:1; [M-H]-@5.94 25190.75007 27961.45381 28336.47607 42464.5965 19110.66623 27693.39609 17465.89309 33325.90412 31214.42279 20477.22215 21746.77998 27230.77884 16444.48075 17538.87406 12625.70675 49456.33929 29250.61824 18204.75268 69402.30975 24360.82679 29138.845 18423.2131 11283.54228 25333.8949 31652.07247 15312.87489 14354.5315 11573.85281 17749.41969 13666.56953 22094.91309 11003.98037 17244.56151 PI 35:2; [M-H]-@5.58 15995.54751 14406.28108 8692.922947 8842.374983 6597.051057 15020.4438 6624.179999 14610.26961 20981.83881 15516.5488 7255.904221 14274.08133 8620.886204 11518.0521 8674.249175 17435.25863 15295.63135 6841.992941 22989.31819 8447.552555 14992.75619 10284.65988 4118.190732 13871.49074 14273.44512 9614.217457 7917.984466 9194.992268 12856.20659 9155.981007 8925.832499 4821.348634 13367.03883 PI 36:1; [M-H]-@6.31 51146.87362 188126.0388 162544.7248 183178.5189 134620.3461 160201.9274 71920.33865 125878.7886 145386.9796 115965.6786 117635.5313 122252.2918 103763.9286 181909.0727 146905.734 213949.0304 186900.6242 79392.24647 358309.8165 111413.4194 123513.3344 109029.8021 99741.98138 111364.7183 112878.7988 87216.31956 200308.6274 92270.56362 126460.6833 71258.94672 74615.8927 60859.48709 72749.46391 PI 36:2; [M-H]-@5.88 372877.0079 777225.766 632223.9691 1123817.958 447272.3021 955308.6625 409787.7595 364097.4944 631432.4698 691472.1013 416216.8146 623791.7091 455809.2551 958962.5916 623731.6586 618899.0016 576770.4113 549553.1318 1097842.323 500046.7015 858860.4885 500589.4944 301595.3129 417248.8216 711944.5513 322219.6724 383460.8211 383186.269 508275.6181 291922.0265 371926.6705 344449.7847 375461.2515 PI 36:3; [M-H]-@5.38 90522.79083 186083.2435 163927.24 417793.4504 132287.9966 315183.9187 112390.596 146010.6764 175835.5294 189698.9368 124466.2468 231046.0886 148844.156 145651.5705 167758.429 195390.048 243839.3599 133618.103 538915.5069 136115.7728 212801.0756 123843.3057 89935.53546 161519.4158 213183.4386 81750.71943 103782.0162 147100.3762 125841.2031 83854.17812 118744.4429 49594.77452 95236.86628 PI 36:4; [M-H]-@5.22 162630.1239 159561.0426 259720.4117 287503.2191 223097.7813 254036.4045 268083.7766 324262.6187 291491.8812 143783.0457 232844.6919 286910.6432 122534.7447 132809.8343 274180.2454 381793.4556 430022.9903 213615.8703 925092.8446 171643.7189 301282.1669 152937.3649 194484.8131 278709.8534 225056.8461 120741.1179 115078.8164 220854.0328 213725.3064 181627.5931 148374.1444 94614.07832 166798.0921 PI 38:3; [M-H]-@6.07 931997.1433 1161826.941 1446718.12 2130919.291 1414255.117 2660844.657 1940249.132 1701318.272 1736490.632 1769354.237 1276372.763 1499081.046 919576.6447 976994.5395 1358460.682 2027691.538 1100574.865 1128695.262 2434274.733 1277505.411 1675169.789 1418999.53 1115215.819 1952152.181 1883182.244 828271.1793 649376.9088 1185558.215 1000725.455 627193.809 1065774.589 560409.4938 884859.2233 PI 38:4; [M-H]-@5.84 1492737.468 1851681.908 2803403.7 3283467.271 2705948.738 2616907.029 2375934.429 2382966.057 3212169.023 2142726.425 2130922.168 2079207.22 2045758.474 2515790.331 3709217.339 3494787.324 3413538.991 2320476.043 4711935.785 2407010.612 3864164.965 2265044.036 2146177.153 2679433.282 2602050.814 1550878.159 1823462.643 2195231.531 2373317.342 1536832.246 1916671.36 2218912.495 2068691.603 PI 38:5; [M-H]-@5.37 111392.1828 273850.2841 230382.8981 329419.5065 164294.116 326892.2285 171341.8446 189022.459 230118.6481 204599.3925 134078.9883 205463.9695 172870.0908 150225.8715 357363.7715 323876.2794 305323.6223 155497.7674 582907.1092 148976.7839 291877.0711 148151.2312 163105.8129 206854.3336 329502.6853 107892.615 150783.9918 186864.716 189092.9716 127873.4179 134207.3354 112242.0057 117172.4898 PI 38:6; [M-H]-@5.13 16057.60547 59876.38712 10952.33171 29935.12578 13981.5374 20517.9755 17964.9004 22725.04218 22035.75161 15388.61022 13330.10738 21500.69708 8577.295187 14950.98527 29973.30314 20559.60884 17446.37722 24252.24981 48465.27213 26485.65665 36323.2795 10841.602 16837.29529 24753.40032 14819.69077 15186.24346 9771.044134 18541.61986 21941.74478 8975.454047 19162.48849 14577.71946 22259.85829 PI 40:4; [M-H]-@6.34 15570.2057 39863.26944 65109.82295 58412.04026 55398.1475 32133.00862 26254.28627 34960.16087 50986.1937 36123.35187 34186.15039 31178.43801 29068.82919 63998.65238 73753.59303 44165.86334 53489.33764 22492.16809 98205.91521 38883.11441 30194.02806 28192.90308 21117.86851 43111.56003 51742.26809 23022.55661 25452.29804 43474.08608 25016.51108 26971.59957 27909.5067 22251.83701 19047.58482 PI 40:5; [M-H]-@5.99 67385.37933 143100.5741 66444.01394 65996.83098 96018.03664 107855.018 105606.7476 128672.4732 140243.489 143019.0332 94137.52532 76369.37893 71857.51476 175348.0515 201804.205 138254.4787 122091.7812 95469.12837 128016.7362 125549.8573 122897.0262 106771.8713 92003.37081 163195.0329 109451.6629 119249.7386 62677.09431 142954.4547 118971.773 92868.11249 79258.23685 101186.1524 139815.1966 PI 40:6; [M-H]-@5.80 65056.82835 199654.1483 51078.17778 65370.5386 32237.00909 73084.31114 59091.63034 47081.0912 80693.45933 73829.61006 34468.50369 59313.16487 45958.64937 41002.5486 149446.3994 75980.52035 60975.38356 99940.30753 130375.0421 88157.84308 114679.655 38721.39217 50992.57779 49279.45165 51455.16869 37344.6016 34314.25559 60335.95002 161062.2101 32154.75273 49767.25647 52366.31833 74907.22512 PS 38:4; [M-H]-@6.05 60262.77249 10763.52491 2363.019343 9521.827631 11897.37248 14318.54942 8945.250641 14882.19192 9518.383923 22991.91042 5684.855964 1961.956461 3170.262057 90017.83418 171090.8658 15314.87101 250496.1126 3765.200003 16124.94239 40486.18805 375980.2692 17631.15147 11481.24662 57137.14566 20699.69747 34058.40246 40568.93391 118337.8636 39318.62867 9543.490923 4320.809142 55527.18233 53326.74446 PS 40:6; [M-H]-@5.88 6976.355642 13478.30732 13120.09196 6673.568033 1618.276102 219.5098448 1504.615818 10075.74071 4055.854168 2637.659982 8849.776701 3388.955496 4209.700226 11816.43051 17822.68433 3889.124703 12048.69817 4576.538221 14188.39956 5325.101427 146317.5315 5713.800358 4656.153987 11480.9796 8037.476479 762.5786581 1747.319233 2510.42581 5629.990512 1464.00921 251.1190647 2680.878725 8761.943135 lysoPE 16:0; [M-H]-@1.66 637171.2586 313400.2121 180866.6051 266393.4757 221107.1849 317471.5688 343822.6635 355092.1974 229372.731 281239.3968 137298.0123 234978.7894 162455.8776 245445.4771 455012.9155 220033.7631 341552.11 171472.2776 606516.6901 312843.9513 325875.9635 251859.0262 150588.1733 303989.1749 310780.0175 332001.2721 265668.7249 649461.6617 355392.7648 162888.5912 189646.1357 172964.6227 300684.4258 lysoPE 17:0; [M-H]-@2.08 30416.96764 15169.76607 22089.38831 13198.96509 8873.901504 14800.50389 19519.6808 9579.177432 27671.23495 17435.96392 9683.304943 9237.062688 10339.5357 6780.486203 18665.63656 10784.61504 20054.2818 6588.343367 28894.9239 23461.50271 18661.90137 8921.740536 3002.902952 6489.212568 14612.8129 20397.48611 19127.47169 16494.1615 12714.41306 14004.49008 7871.563448 8176.460723 18448.6883 lysoPE 18:1; [M-H]-@1.80 472318.6913 294753.9472 302285.6717 404932.9748 303700.6123 429746.8633 319273.5628 289652.0495 204467.2457 276411.9618 146387.2423 198826.6214 319913.3587 277282.6245 291006.6434 241071.6511 786489.077 141703.6299 702562.4824 456207.71 401492.0577 296819.8469 181249.7075 247865.7435 347653.9573 494087.5743 345204.7569 798306.8403 335494.0598 222444.2793 159196.2021 101355.3048 234522.9385 lysoPE 20:1; [M-H]-@2.67 7981.867711 10812.84369 12276.26395 5615.662261 5868.392337 3137.816036 9770.176084 4850.871041 4747.333318 1474.256072 2944.862063 3821.93811 5457.471015 7945.756458 7861.439033 4957.393716 11917.77286 2936.624726 10365.54152 1814.744124 10052.64528 3605.010462 5563.745165 5039.968541 4486.690878 5458.78095 10381.22263 17311.60874 14299.65695 2995.356868 1135.375176 6300.051735 4110.764728 lysoPE 20:2; [M-H]-@2.09 11877.80594 9550.307608 3012.271349 6975.300612 1731.4189 7607.355235 5242.287404 765.6453787 5314.695842 2807.841506 1222.64647 7408.897203 12361.96554 7698.988011 10303.05553 4479.416559 14186.63209 2290.21326 13872.65109 9802.422975 12723.60136 7638.503051 706.4152398 5088.697767 12721.81082 3339.517877 5906.205112 8428.065594 6561.806613 11966.52985 4722.605629 2342.842053 5461.882998 lysoPE 20:3; [M-H]-@1.66 190245.5316 38242.16207 49187.13981 92663.43794 73054.18466 96533.55879 114983.7851 101315.3701 88396.15687 105431.7132 48887.45781 84434.81961 56229.27662 84424.40258 67617.97467 82178.5031 102333.0266 46802.8936 103401.1784 124053.6398 63304.35355 51428.29726 44986.67761 106499.4598 102985.536 119215.3125 59319.37678 169816.9547 67548.96683 97795.19466 57456.12796 19967.28087 38843.7655 lysoPE 22:4; [M-H]-@1.90 43768.69659 24254.12113 11575.69771 15915.16356 19799.48548 19898.65915 28506.4994 27862.31277 16017.44566 17179.55678 8532.649729 9442.925617 8815.139957 26088.9643 10334.16472 24822.69953 41614.82669 15129.41368 33676.20929 30771.29907 21008.41683 11711.56213 9231.940694 25442.14988 19110.44716 22607.41469 25715.21645 30792.78204 10589.39275 33639.2722 11794.77278 9024.82425 20134.14376 lysoPE 22:5; [M-H]-@1.56 88220.96865 36201.77361 69221.9634 126399.7944 125931.1105 97736.23178 139805.3299 119435.6633 114273.3879 83149.52866 46711.0284 69689.77258 63550.46256 149854.6228 176206.7256 131621.6653 161095.5133 119187.9089 191514.1099 199206.7157 104094.9775 92097.28915 86798.61041 94001.34535 104712.5075 105845.7873 71728.27564 148267.8646 66427.20092 106769.2689 96846.95757 56198.21056 78135.73543 lysoPE 22:6; [M-H]-@1.32 373595.0832 357225.2924 164640.2134 230067.1396 216445.8547 213535.3028 244362.0294 123696.9999 203625.9765 160002.4859 86186.58341 128960.5765 179008.0304 196149.888 564844.0229 179359.3661 287753.4751 341706.5717 210095.932 719661.6496 400032.7809 198909.196 214810.9625 108053.4057 192533.2746 309799.2005 232573.8841 296056.1061 362665.6051 209555.4061 235051.6273 279115.4974 301121.1098 plasmenyl-PE 32:0; [M-H]-@7.15 17321.30879 10868.68304 24257.43272 36547.7375 30772.13865 14723.30129 22480.08994 22905.28748 14734.55289 17416.39057 15371.5541 23433.86121 43588.82591 11755.91268 9676.871925 20851.53946 19460.04958 15869.07855 27181.03552 16102.08599 23949.82663 20223.68061 20290.39789 22567.54762 20088.44744 11253.7546 12459.23831 9310.815435 11086.21949 27452.68021 14112.93031 10491.16087 14166.8166 plasmenyl-PE 32:1; [M-H]-@6.61 26650.54533 9842.202883 19781.64522 12950.55034 27911.42839 11372.39888 10643.83563 22320.53765 14890.38252 13837.88056 17883.34826 19831.15787 13420.33315 37890.21505 18528.51077 22863.84875 35421.3232 9656.639669 12317.89062 22433.03371 7952.742134 23615.49079 15353.73757 22948.07546 21153.64376 30866.17192 29313.87654 36141.68146 13684.03666 31833.70401 11524.81187 10646.10027 8650.369186 plasmenyl-PE 34:0; [M-H]-@7.24 50912.39944 59120.39275 68348.92383 56653.11149 80227.80843 58810.78553 88798.24717 77276.01901 47460.55471 72931.72784 59203.82848 55057.87043 51560.76394 65349.34801 48952.01076 70907.75912 58498.3732 42340.5868 63439.17314 68731.10827 69201.78796 59284.11886 43448.84071 70838.20603 38308.0506 76408.37561 79534.88896 46085.73644 71399.56846 63969.47437 72385.3881 35999.87698 40828.28086 plasmenyl-PE 34:2; [M-H]-@6.75 780304.3459 750916.2178 1115304.798 1627925.186 973838.2701 860384.1986 475996.3247 731791.4747 829311.9539 708444.9225 582638.7084 735923.5163 885569.1858 1117506.165 456631.0826 639660.8874 888347.282 528131.4815 889024.8248 547077.3875 566020.3332 916055.7277 271423.5965 576309.6422 794770.4185 542147.2489 983450.8434 475612.3306 862645.5931 725033.4685 525742.0925 217596.8126 375560.6377 plasmenyl-PE 34:3; [M-H]-@6.41 51309.30678 39468.64087 22354.98609 57716.35779 28807.23226 33525.07207 18093.34966 19595.54542 27417.95083 27437.04848 7113.040579 32673.73475 39318.29094 46033.64454 13083.94752 25956.11633 50083.09917 21678.95528 28132.94289 24335.06405 35003.56532 34083.95984 10994.01703 26695.93873 43877.85769 27539.52028 42199.34338 22624.09235 41284.6787 49538.42275 19130.78344 13181.18617 15027.29072 plasmenyl-PE 36:0; [M-H]-@7.27 18145.62224 36906.66464 53826.37625 43659.73087 44904.61889 17985.50132 33292.45875 25047.60856 31925.80621 36585.22832 20291.90383 33307.42162 51965.93202 33866.36684 27855.32822 37388.7076 42786.272 35282.72381 29182.62141 38052.80619 45719.41734 39626.39615 25806.62596 20479.89385 29821.65226 43642.05595 50485.55514 31025.704 48909.31419 39587.7817 41339.82114 74477.48697 21520.18272 plasmenyl-PE 36:1; [M-H]-@7.78 433479.8551 328557.4941 543522.3885 642428.6054 439444.4552 313317.9788 251470.2866 408874.4478 416043.0965 406433.7777 252485.8682 336748.4604 467020.6807 474896.7752 276213.7421 410516.2571 368319.1378 254679.9936 496506.4231 368881.7652 624415.0133 332569.9486 187789.8179 355336.4495 302583.6016 335475.8134 457386.3797 344455.5241 519442.9956 380784.3875 310465.4316 184330.1972 281500.4189 plasmenyl-PE 36:2; [M-H]-@7.35 1375209.512 930556.7907 1316770.089 2248319.759 1268610.956 1171401.337 626247.1189 858898.8958 1196103.582 1028509.587 744507.8816 992328.3702 1337455.608 1634476.247 653974.7323 882631.8483 1285481.35 774103.4229 1363861.923 823947.921 908712.8129 1194778.244 373189.4571 927115.1242 1174367.186 918691.5026 1566151.426 891757.7546 1447734.889 928751.725 822492.0054 432007.1794 818916.4583 plasmenyl-PE 36:3; [M-H]-@6.93 1004727.744 1002620.456 1418316.105 2096116.698 1486069.571 1219447.994 748207.9674 1016534.917 1557927.021 1147498.02 715226.5827 927817.8179 1326338.662 1658411.004 985736.2618 1058845.313 1274654.075 925983.2137 1272118.26 1184162.068 1107707.599 1626677.781 758631.4942 803270.2627 1162028.877 741035.463 1839195.941 1017158.497 1597298.262 1241213.041 1043621.093 672337.4494 660695.4464 plasmenyl-PE 36:5; [M-H]-@6.30 332974.9944 1406842.878 101792.782 199956.5994 158499.8937 94069.38946 103743.7238 99644.01388 198787.2745 138273.6214 106557.5128 179822.6228 279390.5279 189072.1645 415038.2757 134608.5605 270819.3742 123260.4293 180785.3691 261849.4032 220588.0867 180235.3198 124765.4691 209407.0601 172434.3909 213310.7546 258625.9271 145848.4844 469275.9926 532061.207 131273.2363 99822.42696 118650.31 plasmenyl-PE 38:1; [M-H]-@8.29 61089.77549 43802.62144 44588.54966 71824.31644 62017.15131 38374.40116 40149.78331 41845.27941 48443.04409 40170.92378 31803.86769 80468.67629 34209.86319 47491.02773 37908.55376 51074.36075 59081.43761 31967.8561 53570.85241 67657.85929 65908.13511 33217.48924 25351.00336 42250.53806 27834.38934 47274.75608 50664.34042 48681.4423 61858.58569 40331.8113 33274.79096 25177.34131 53676.67033 plasmenyl-PE 38:2; [M-H]-@7.94 204627.6916 191146.3678 248438.0029 535591.1487 263105.3148 289080.2295 152511.3959 189796.2523 148209.3692 264110.3442 133396.2297 199101.9916 179488.9778 230816.5597 122634.4124 244233.9919 258311.2577 152433.7403 235238.2933 285133.7329 311394.7908 172189.5761 75788.83074 205462.1002 138052.6319 258800.0897 173431.8876 167380.8987 224564.1025 194983.3391 150568.9238 71395.15644 213437.9566 plasmenyl-PE 38:3; [M-H]-@7.56 1293340.178 557815.8926 458255.646 706941.2117 629328.9236 740054.8894 519897.829 790632.9057 841827.8052 799555.4556 453753.967 659568.7889 661824.2634 926077.4289 755081.8656 830817.3425 788022.5709 539854.6308 776047.2912 863814.1722 807207.479 861792.078 624577.2128 881160.9902 739221.8755 772310.061 922326.2809 920936.815 1326136.2 933858.1518 660842.2922 689005.7464 788321.1962 plasmenyl-PE 38:4; [M-H]-@7.26 3468951.767 1466533.17 3105978.082 3808559.655 3009130.335 2013992.123 1982875.621 2099854.144 3182665.285 2275247.233 1791345.822 1981388.514 4574549.918 5783939.604 4958848.185 3235791.413 6121210.82 2562015.292 4654532.696 3307177.651 5106046.43 4014653.337 3125844.717 3531873.412 3882528.956 2634127.662 5582020.424 3945418.26 5687750.964 4240815.155 3293496.137 4752632.224 3147518.784 plasmenyl-PE 40:2; [M-H]-@8.31 57632.43592 54000.75889 57550.53302 88363.07124 39647.97365 52706.14151 36037.72387 28166.33686 60135.77641 62458.0701 18467.0965 37307.53478 39612.07289 40944.58222 21325.10825 74625.61542 44652.25245 30817.94074 70753.83089 100003.7286 58682.7267 34155.14061 13522.93003 60325.71737 33951.2964 65876.17735 55283.18457 61373.97698 58810.74109 43776.51612 35281.36635 25694.24336 92910.55726 plasmenyl-PE 40:3; [M-H]-@8.07 248023.9495 160361.0634 102328.7694 161163.9913 138412.0529 168452.6267 138769.7326 116272.0316 148714.0539 173154.387 95690.31846 133116.9047 124235.983 203059.8455 182382.1285 176066.3278 218949.9635 133810.0164 165740.0325 238111.1122 285802.2529 162059.1305 96407.02292 207492.3259 136808.1312 222316.7614 143330.8861 288345.6866 195712.8217 149807.9651 181806.7909 131693.1021 261509.853 plasmenyl-PE 40:5; [M-H]-@7.59 984421.3424 886582.4808 380951.0287 514670.0314 676940.3028 627642.5481 635374.8173 544804.9131 667539.7843 713677.6086 394993.2951 550013.011 626557.8744 883370.4614 998639.2237 856969.0755 945740.7574 623530.7712 769575.6195 843125.2279 1046235.077 728741.0003 467855.2042 862405.4061 690773.4944 800402.2327 736643.9083 911597.2758 1073473.794 1064005.451 638452.4227 715271.1163 975577.5213 plasmenyl-PE 40:6; [M-H]-@7.23 1495115.053 1651295.344 865700.5462 1410655.482 806695.4951 818332.8659 784762.8949 600771.3444 1306846.326 965850.2195 680196.6372 835599.8532 1626701.206 1312279.379 1323534.112 1034593.173 1510891.024 1851486.627 1142514.998 1509261.554 2009886.621 1193074.281 732764.5863 693414.8006 1021017.514 1000605.726 1164492.237 987883.1326 2630726.654 1475099.038 1411331.019 1309972.172 1274913.391 plasmenyl-PE 42:4; [M-H]-@8.25 89384.75666 47459.19696 49753.95685 94289.19481 82649.50915 65848.39666 72612.34442 72326.65619 48887.76303 118641.761 33300.65942 50703.72932 57327.46159 168560.9623 173715.9089 183519.605 226737.5213 58913.44821 147753.3903 207026.9216 122366.6461 75999.67078 45124.04326 179515.0559 63513.83004 70752.66141 82142.68795 136397.9824 123229.1086 100254.9525 53309.82505 97879.10661 176731.9851 plasmenyl-PE 42:5; [M-H]-@7.91 167510.9503 177390.9619 64450.12941 125083.0146 88776.89685 110717.6545 112826.0007 71741.49264 110862.8686 178208.8672 63986.7221 92623.94631 93056.55009 177882.16 226997.056 121498.1761 214346.4228 132016.6812 124416.0488 269148.6106 186323.7339 158744.2505 103540.5698 148362.5847 102710.0942 197646.2598 135383.086 188736.8932 196886.5075 110065.4067 72760.52684 148579.2332 228456.6346 plasmenyl-PE 42:6; [M-H]-@7.79 110460.6629 271019.6422 61472.17504 128041.0963 97027.98301 118783.2346 119464.3842 73893.06603 80657.60255 151336.6596 66901.35299 106417.9215 85297.13883 78535.83386 120618.5806 170148.8654 72284.514 197760.9056 81836.49685 219731.7134 173987.65 86221.64905 91246.24373 94366.03507 100802.9767 125173.8127 79047.77834 107621.0587 310169.504 172261.7379 110579.133 84554.64775 266477.4557 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type CL 66:1; [M-2H](2-)@6.26 6.26 CL(66:1) LipidMaps Bulk ID CL 74:3; [M-2H](2-)@6.99 6.99 CL(74:3) LipidMaps Bulk ID CL 76:5; [M-2H](2-)@6.98 6.98 CL(76:5) LipidMaps Bulk ID CL 78:5; [M-2H](2-)@6.51 6.51 CL(78:5) LipidMaps Bulk ID CerP 32:1; [M-H]-@5.19 5.19 CerP 32:1 LipidBLAST CerP 34:0; [M-H]-@6.17 6.17 5283582 CerP 34:1; [M-H]-@5.94 5.94 CerP 34:1 LipidBLAST CerP 34:2; [M-H]-@5.40 5.4 CerP 34:2 LipidBLAST CerP 38:1; [M-H]-@7.29 7.29 CerP 38:1 LipidBLAST CerP 41:1; [M-H]-@8.14 8.14 CerP 41:1 LipidBLAST CerP 42:1; [M-H]-@8.41 8.41 CerP 42:1 LipidBLAST FFA(16:0) FA(16:0) LipidMaps Bulk ID FFA(18:0) 5281 LMFA01010018 LipidMaps FFA(18:1) FA(18:1) LipidMaps Bulk ID FFA(18:2) FA(18:2) LipidMaps Bulk ID FFA(20:0) 10467 LMFA01010020 LipidMaps FFA(20:1) FA(20:1) LipidMaps Bulk ID FFA(20:2) FA(20:2) LipidMaps Bulk ID FFA(20:4) Arachidonic acid FA(20:4) LipidMaps Bulk ID FFA(22:0) 8215 LMFA01010022 LipidMaps FFA(22:1) FA(22:1) LipidMaps Bulk ID FFA(22:2) FA(22:2) LipidMaps Bulk ID FFA(22:3) FA(22:3) LipidMaps Bulk ID FFA(24:0) 11197 LMFA01010024 LipidMaps FFA(24:1) FA(24:1) LipidMaps Bulk ID FFA(24:2) FA(24:2) LipidMaps Bulk ID FFA(24:3) 52921854 LMFA01030902 LipidMaps N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.45 8.45 5283568 N-(docosanoyl)-sphing-4-enine; [M-H]-@8.43 8.43 5283567 N-(eicosanoyl)-sphing-4-enine; [M-H]-@7.95 7.95 5283566 N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.87 6.87 5283564 N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.46 7.46 5283565 N-(octadecanoyl)-sphinganine; [M-H]-@7.64 7.64 5283573 N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.88 8.88 5283571 PA 34:1; [M-H]-@6.82 6.82 PA(34:1) LipidMaps Bulk ID PA 34:2; [M-H]-@6.28 6.28 PA(34:2) LipidMaps Bulk ID PA 34:3; [M-H]-@5.77 5.77 PA(34:3) LipidMaps Bulk ID PA 36:1; [M-H]-@7.51 7.51 PA(36:1) LipidMaps Bulk ID PA 36:3; [M-H]-@6.43 6.43 PA(36:3) LipidMaps Bulk ID PA 36:4; [M-H]-@6.20 6.2 PA(36:4) LipidMaps Bulk ID PA 36:5; [M-H]-@5.97 5.97 PA(36:5) LipidMaps Bulk ID PA 38:5; [M-H]-@6.05 6.05 PA(38:5) LipidMaps Bulk ID PA 38:6; [M-H]-@6.21 6.21 PA(38:6) LipidMaps Bulk ID PA 40:7; [M-H]-@6.23 6.23 PA(40:7) LipidMaps Bulk ID PC 26:0; [M-Ac-H]-@4.57 4.57 PC(26:0) LipidMaps Bulk ID PC 30:0; [M-Ac-H]-@6.04 6.04 PC(30:0) LipidMaps Bulk ID PC 31:0; [M-Ac-H]-@6.31 6.31 PC(31:0) LipidMaps Bulk ID PC 32:0; [M-Ac-H]-@6.75 6.75 PC(32:0) LipidMaps Bulk ID PC 32:1; [M-Ac-H]-@6.12 6.12 PC(32:1) LipidMaps Bulk ID PC 32:2; [M-Ac-H]-@5.73 5.73 PC(32:2) LipidMaps Bulk ID PC 33:1; [M-Ac-H]-@6.56 6.56 PC(33:1) LipidMaps Bulk ID PC 33:2; [M-Ac-H]-@6.08 6.08 PC(33:2) LipidMaps Bulk ID PC 34:1; [M-Ac-H]-@6.81 6.81 PC(34:1) LipidMaps Bulk ID PC 34:2; [M-Ac-H]-@6.30 6.3 PC(34:2) LipidMaps Bulk ID PC 34:3; [M-Ac-H]-@5.95 5.95 PC(34:3) LipidMaps Bulk ID PC 35:1; [M-Ac-H]-@7.13 7.13 PC(35:1) LipidMaps Bulk ID PC 35:2; [M-Ac-H]-@6.66 6.66 PC(35:2) LipidMaps Bulk ID PC 35:4; [M-Ac-H]-@6.08 6.08 PC(35:4) LipidMaps Bulk ID PC 36:1; [M-Ac-H]-@7.48 7.48 PC(36:1) LipidMaps Bulk ID PC 36:2; [M-Ac-H]-@6.98 6.98 PC(36:2) LipidMaps Bulk ID PC 36:3; [M-Ac-H]-@6.52 6.52 PC(36:3) LipidMaps Bulk ID PC 36:5; [M-Ac-H]-@5.83 5.83 PC(36:5) LipidMaps Bulk ID PC 36:6; [M-Ac-H]-@5.54 5.54 PC(36:6) LipidMaps Bulk ID PC 37:2; [M-Ac-H]-@7.34 7.34 PC(37:2) LipidMaps Bulk ID PC 37:4; [M-Ac-H]-@6.62 6.62 PC(37:4) LipidMaps Bulk ID PC 37:6; [M-Ac-H]-@5.86 5.86 PC(37:6) LipidMaps Bulk ID PC 38:2; [M-Ac-H]-@7.63 7.63 PC(38:2) LipidMaps Bulk ID PC 38:3; [M-Ac-H]-@7.25 7.25 PC(38:3) LipidMaps Bulk ID PC 38:5; [M-Ac-H]-@6.50 6.5 PC(38:5) LipidMaps Bulk ID PC 38:6; [M-Ac-H]-@6.14 6.14 PC(38:6) LipidMaps Bulk ID PC 38:7; [M-Ac-H]-@5.60 5.6 PC(38:7) LipidMaps Bulk ID PC 39:6; [M-Ac-H]-@6.54 6.54 PC(39:6) LipidMaps Bulk ID PC 40:3; [M-Ac-H]-@7.82 7.82 PC(40:3) LipidMaps Bulk ID PC 40:4; [M-Ac-H]-@7.47 7.47 PC(40:4) LipidMaps Bulk ID PC 40:5; [M-Ac-H]-@7.11 7.11 PC(40:5) LipidMaps Bulk ID PC 40:6; [M-Ac-H]-@6.77 6.77 PC(40:6) LipidMaps Bulk ID PC 42:10; [M-Ac-H]-@5.83 5.83 PC(42:10) LipidMaps Bulk ID PE 30:0; [M-H]-@5.40 5.4 PE(30:0) LipidMaps Bulk ID PE 32:0; [M-H]-@6.78 6.78 PE(32:0) LipidMaps Bulk ID PE 32:1; [M-H]-@6.27 6.27 PE(32:1) LipidMaps Bulk ID PE 33:0; [M-H]-@7.05 7.05 PE(33:0) LipidMaps Bulk ID PE 33:2; [M-H]-@6.11 6.11 PE(33:2) LipidMaps Bulk ID PE 34:1; [M-H]-@6.90 6.9 PE(34:1) LipidMaps Bulk ID PE 34:2; [M-H]-@6.46 6.46 PE(34:2) LipidMaps Bulk ID PE 34:3; [M-H]-@6.00 6 PE(34:3) LipidMaps Bulk ID PE 34:4; [M-H]-@5.75 5.75 PE(34:4) LipidMaps Bulk ID PE 35:0; [M-H]-@7.63 7.63 PE(35:0) LipidMaps Bulk ID PE 35:1; [M-H]-@6.55 6.55 PE(35:1) LipidMaps Bulk ID PE 35:2; [M-H]-@6.73 6.73 PE(35:2) LipidMaps Bulk ID PE 35:4; [M-H]-@6.09 6.09 PE(35:4) LipidMaps Bulk ID PE 36:0; [M-H]-@7.90 7.9 PE(36:0) LipidMaps Bulk ID PE 36:1; [M-H]-@7.48 7.48 PE(36:1) LipidMaps Bulk ID PE 36:2; [M-H]-@7.06 7.06 PE(36:2) LipidMaps Bulk ID PE 36:3; [M-H]-@6.58 6.58 PE(36:3) LipidMaps Bulk ID PE 36:5; [M-H]-@5.96 5.96 PE(36:5) LipidMaps Bulk ID PE 37:4; [M-H]-@6.66 6.66 PE(37:4) LipidMaps Bulk ID PE 38:1; [M-H]-@7.49 7.49 PE(38:1) LipidMaps Bulk ID PE 38:2; [M-H]-@6.94 6.94 PE(38:2) LipidMaps Bulk ID PE 38:3; [M-H]-@7.26 7.26 PE(38:3) LipidMaps Bulk ID PE 38:4; [M-H]-@7.03 7.03 PE(38:4) LipidMaps Bulk ID PE 38:5; [M-H]-@6.54 6.54 PE(38:5) LipidMaps Bulk ID PE 38:7; [M-H]-@5.75 5.75 PE(38:7) LipidMaps Bulk ID PE 40:2; [M-H]-@7.64 7.64 PE(40:2) LipidMaps Bulk ID PE 40:4; [M-H]-@7.46 7.46 PE(40:4) LipidMaps Bulk ID PE 40:6; [M-H]-@6.95 6.95 PE(40:6) LipidMaps Bulk ID PE 40:7; [M-H]-@6.43 6.43 PE(40:7) LipidMaps Bulk ID PE 40:8; [M-H]-@5.97 5.97 PE(40:8) LipidMaps Bulk ID PG 33:0; [M-H]-@6.07 6.07 PG(33:0) LipidMaps Bulk ID PG 34:1; [M-H]-@5.83 5.83 PG(34:1) LipidMaps Bulk ID PG 34:2; [M-H]-@5.45 5.45 PG(34:2) LipidMaps Bulk ID PG 35:0; [M-H]-@6.62 6.62 PG(35:0) LipidMaps Bulk ID PG 36:0; [M-H]-@6.89 6.89 PG(36:0) LipidMaps Bulk ID PG 36:1; [M-H]-@6.44 6.44 PG(36:1) LipidMaps Bulk ID PG 36:2; [M-H]-@6.02 6.02 PG(36:2) LipidMaps Bulk ID PG 36:3; [M-H]-@5.31 5.31 PG(36:3) LipidMaps Bulk ID PG 38:4; [M-H]-@6.05 6.05 PG(38:4) LipidMaps Bulk ID PI 34:1; [M-H]-@5.68 5.68 PI(34:1) LipidMaps Bulk ID PI 34:2; [M-H]-@5.22 5.22 PI(34:2) LipidMaps Bulk ID PI 35:1; [M-H]-@5.94 5.94 PI(35:1) LipidMaps Bulk ID PI 35:2; [M-H]-@5.58 5.58 PI(35:2) LipidMaps Bulk ID PI 36:1; [M-H]-@6.31 6.31 PI(36:1) LipidMaps Bulk ID PI 36:2; [M-H]-@5.88 5.88 PI(36:2) LipidMaps Bulk ID PI 36:3; [M-H]-@5.38 5.38 PI(36:3) LipidMaps Bulk ID PI 36:4; [M-H]-@5.22 5.22 PI(36:4) LipidMaps Bulk ID PI 38:3; [M-H]-@6.07 6.07 PI(38:3) LipidMaps Bulk ID PI 38:4; [M-H]-@5.84 5.84 PI(38:4) LipidMaps Bulk ID PI 38:5; [M-H]-@5.37 5.37 PI(38:5) LipidMaps Bulk ID PI 38:6; [M-H]-@5.13 5.13 PI(38:6) LipidMaps Bulk ID PI 40:4; [M-H]-@6.34 6.34 PI(40:4) LipidMaps Bulk ID PI 40:5; [M-H]-@5.99 5.99 PI(40:5) LipidMaps Bulk ID PI 40:6; [M-H]-@5.80 5.8 PI(40:6) LipidMaps Bulk ID PS 38:4; [M-H]-@6.05 6.05 PS(38:4) LipidMaps Bulk ID PS 40:6; [M-H]-@5.88 5.88 PS(40:6) LipidMaps Bulk ID lysoPE 16:0; [M-H]-@1.66 1.66 LPE(16:0) LipidMaps Bulk ID lysoPE 17:0; [M-H]-@2.08 2.08 52925149 LMGP02050030 LipidMaps lysoPE 18:1; [M-H]-@1.80 1.8 LPE(18:1) LipidMaps Bulk ID lysoPE 20:1; [M-H]-@2.67 2.67 LPE(20:1) LipidMaps Bulk ID lysoPE 20:2; [M-H]-@2.09 2.09 LPE(20:2) LipidMaps Bulk ID lysoPE 20:3; [M-H]-@1.66 1.66 LPE(20:3) LipidMaps Bulk ID lysoPE 22:4; [M-H]-@1.90 1.9 LPE(22:4) LipidMaps Bulk ID lysoPE 22:5; [M-H]-@1.56 1.56 LPE(22:5) LipidMaps Bulk ID lysoPE 22:6; [M-H]-@1.32 1.32 LPE(22:6) LipidMaps Bulk ID plasmenyl-PE 32:0; [M-H]-@7.15 7.15 PE(P-32:0) LipidMaps Bulk ID plasmenyl-PE 32:1; [M-H]-@6.61 6.61 PE(P-32:1) LipidMaps Bulk ID plasmenyl-PE 34:0; [M-H]-@7.24 7.24 PE(P-34:0) LipidMaps Bulk ID plasmenyl-PE 34:2; [M-H]-@6.75 6.75 PE(P-34:2) LipidMaps Bulk ID plasmenyl-PE 34:3; [M-H]-@6.41 6.41 PE(P-34:3) LipidMaps Bulk ID plasmenyl-PE 36:0; [M-H]-@7.27 7.27 PE(P-36:0) LipidMaps Bulk ID plasmenyl-PE 36:1; [M-H]-@7.78 7.78 PE(P-36:1) LipidMaps Bulk ID plasmenyl-PE 36:2; [M-H]-@7.35 7.35 PE(P-36:2) LipidMaps Bulk ID plasmenyl-PE 36:3; [M-H]-@6.93 6.93 PE(P-36:3) LipidMaps Bulk ID plasmenyl-PE 36:5; [M-H]-@6.30 6.3 PE(P-36:5) LipidMaps Bulk ID plasmenyl-PE 38:1; [M-H]-@8.29 8.29 PE(P-38:1) LipidMaps Bulk ID plasmenyl-PE 38:2; [M-H]-@7.94 7.94 PE(P-38:2) LipidMaps Bulk ID plasmenyl-PE 38:3; [M-H]-@7.56 7.56 PE(P-38:3) LipidMaps Bulk ID plasmenyl-PE 38:4; [M-H]-@7.26 7.26 PE(P-38:4) LipidMaps Bulk ID plasmenyl-PE 40:2; [M-H]-@8.31 8.31 PE(P-40:2) LipidMaps Bulk ID plasmenyl-PE 40:3; [M-H]-@8.07 8.07 PE(P-40:3) LipidMaps Bulk ID plasmenyl-PE 40:5; [M-H]-@7.59 7.59 PE(P-40:5) LipidMaps Bulk ID plasmenyl-PE 40:6; [M-H]-@7.23 7.23 PE(P-40:6) LipidMaps Bulk ID plasmenyl-PE 42:4; [M-H]-@8.25 8.25 PE(P-42:4) LipidMaps Bulk ID plasmenyl-PE 42:5; [M-H]-@7.91 7.91 plasmenyl-PE 42:5 LipidBLAST plasmenyl-PE 42:6; [M-H]-@7.79 7.79 PE(P-42:6) LipidMaps Bulk ID METABOLITES_END #END