#METABOLOMICS WORKBENCH XiaoyangSu_20240201_065143 DATATRACK_ID:4621 STUDY_ID:ST003090 ANALYSIS_ID:AN005055 VERSION 1 CREATED_ON 02-19-2024 #PROJECT PR:PROJECT_TITLE Phospholipase D regulates PIEZO2 channels via formation of phosphatidic acid PR:PROJECT_TYPE Primary research PR:PROJECT_SUMMARY Mechanosensitive PIEZO2 ion channels play roles in touch, proprioception, and PR:PROJECT_SUMMARY inflammatory pain. Currently, there are no small molecule inhibitors that PR:PROJECT_SUMMARY selectively inhibit PIEZO2 over PIEZO1. The TMEM120A protein was shown to PR:PROJECT_SUMMARY inhibit PIEZO2 while leaving PIEZO1 unaffected. Here we find that TMEM120A PR:PROJECT_SUMMARY expression elevates cellular levels of phosphatidic acid and lysophosphatidic PR:PROJECT_SUMMARY acid (LPA), aligning with its structural resemblance to lipid-modifying enzymes. PR:PROJECT_SUMMARY Intracellular application of phosphatidic acid or LPA inhibited PIEZO2, but not PR:PROJECT_SUMMARY PIEZO1 activity. Extended extracellular exposure to the non-hydrolyzable PR:PROJECT_SUMMARY phosphatidic acid and LPA analogue carbocyclic phosphatidic acid (ccPA) also PR:PROJECT_SUMMARY inhibited PIEZO2. Optogenetic activation of phospholipase D (PLD), responsible PR:PROJECT_SUMMARY for phosphatidic acid generation, inhibited PIEZO2, but not PIEZO1. Conversely, PR:PROJECT_SUMMARY inhibiting PLD led to increased PIEZO2 activity and increased mechanical PR:PROJECT_SUMMARY sensitivity in mice in behavioral experiments. These findings unveil lipid PR:PROJECT_SUMMARY regulators that selectively target PIEZO2 over PIEZO1, and identify the PLD PR:PROJECT_SUMMARY pathway as a regulator of PIEZO2 activity. PR:INSTITUTE Rutgers University PR:DEPARTMENT Pharmacology, Physiology and Neuroscience; Metabolomics Shared Resource PR:LABORATORY Tibor Rohacs; Xiaoyang Su PR:LAST_NAME Rohacs PR:FIRST_NAME Tibor PR:ADDRESS 183 South Orange Ave, Newark, NJ, 07103 PR:EMAIL rohacsti@njms.rutgers.edu PR:PHONE 973-972-4464 PR:FUNDING_SOURCE NIH-NINDS R01-NS055159 to T.R.; NCI-CCSG P30CA072720-5923 to the Rutgers Cancer PR:FUNDING_SOURCE Institute of New Jersey Metabolomics Shared Resource PR:DOI http://dx.doi.org/10.21228/M8P13K PR:CONTRIBUTORS Matthew Gabrielle; Yevgen Yudin; Yujue Wang; Xiaoyang Su; Tibor Rohacs #STUDY ST:STUDY_TITLE Analysis of lipid profiles of N2A-Pz1-KO cells expressing tdTOMATO-vector ST:STUDY_TITLE (mock), TMEM120A, or TMEM120B ST:STUDY_TYPE Lipidomic ST:STUDY_SUMMARY N2A-Pz1-KO cells expressing tdTOMATO-vector (mock), TMEM120A, or TMEM120B were ST:STUDY_SUMMARY used to detect differences in levels of lipids. TMEM120A is a protein without a ST:STUDY_SUMMARY clear function that we previously identified to inhibit mechanically activated ST:STUDY_SUMMARY PIEZO2 channels. TMEM120A has structural similarity a lipid modifying enzyme ST:STUDY_SUMMARY (ELOVL7), and has been proposed to be necessary for adipocyte maturation & ST:STUDY_SUMMARY triglyceride production. We performed LC-MS/MS to determine whether TMEM120A can ST:STUDY_SUMMARY modify the lipid content of cells where it is expressed and utilize that data to ST:STUDY_SUMMARY assess whether those lipids can inhibit PIEZO2 channels. This study revealed ST:STUDY_SUMMARY that TMEM120A expressing cells do have larger levels of phosphatidic acid and ST:STUDY_SUMMARY lysophosphatidic acid, and subsequent functional studies revealed that these ST:STUDY_SUMMARY lipids do inhibit PIEZO2. ST:INSTITUTE Rutgers University ST:DEPARTMENT Pharmacology, Physiology and Neuroscience; Metabolomics Shared Resource ST:LABORATORY Tibor Rohacs; Xiaoyang Su ST:LAST_NAME Rohacs ST:FIRST_NAME Tibor ST:ADDRESS 183 South Orange Ave, Newark, NJ, 07103 ST:EMAIL rohacsti@njms.rutgers.edu ST:PHONE 973-972-4464 ST:SUBMIT_DATE 2024-02-01 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - Mock_1 Sample source:Neuro 2A cells | Transfection:Mock RAW_FILE_NAME=Mock_1 SUBJECT_SAMPLE_FACTORS - Mock_2 Sample source:Neuro 2A cells | Transfection:Mock RAW_FILE_NAME=Mock_2 SUBJECT_SAMPLE_FACTORS - Mock_3 Sample source:Neuro 2A cells | Transfection:Mock RAW_FILE_NAME=Mock_3 SUBJECT_SAMPLE_FACTORS - TMEM120A_1 Sample source:Neuro 2A cells | Transfection:TMEM120A RAW_FILE_NAME=TMEM120A_1 SUBJECT_SAMPLE_FACTORS - TMEM120A_2 Sample source:Neuro 2A cells | Transfection:TMEM120A RAW_FILE_NAME=TMEM120A_2 SUBJECT_SAMPLE_FACTORS - TMEM120A_3 Sample source:Neuro 2A cells | Transfection:TMEM120A RAW_FILE_NAME=TMEM120A_3 SUBJECT_SAMPLE_FACTORS - TMEM120B_1 Sample source:Neuro 2A cells | Transfection:TMEM120B RAW_FILE_NAME=TMEM120B_1 SUBJECT_SAMPLE_FACTORS - TMEM120B_2 Sample source:Neuro 2A cells | Transfection:TMEM120B RAW_FILE_NAME=TMEM120B_2 SUBJECT_SAMPLE_FACTORS - TMEM120B_3 Sample source:Neuro 2A cells | Transfection:TMEM120B RAW_FILE_NAME=TMEM120B_3 #COLLECTION CO:COLLECTION_SUMMARY N2A-Pz1-KO cells were used. One million cells per group were centrifuged, and CO:COLLECTION_SUMMARY washed with ice-cold PBS. Each cell pellet was resuspended in 500 µL of CO:COLLECTION_SUMMARY resuspension buffer (0.05 M HCl, 49% Methanol, 1% SPLASH Lipidomic Mass Spec CO:COLLECTION_SUMMARY Standard), and 1 mL methyl-tert-butyl-ether was added. Samples were vortexed for CO:COLLECTION_SUMMARY 30 seconds, and 600 µL of the organic layer was transferred to a new tube. CO:COLLECTION_SUMMARY Samples were allowed to dry overnight and stored at -80°C. CO:SAMPLE_TYPE Neuro2A cells CO:VOLUMEORAMOUNT_COLLECTED 600 µL of organic phase of lipid extraction (see Sample Prep Information) CO:COLLECTION_VIALS 1.5 mL Eppendorf tubes CO:STORAGE_VIALS 1.5 mL Eppendorf tubes CO:COLLECTION_TUBE_TEMP Room temp CO:ADDITIVES Aventi SPLASH Lipidomic Mass Spec Standard #TREATMENT TR:TREATMENT_SUMMARY N2A-Pz1-KO cells were transfected using Polyethylenimine Max with 1500 ng of the TR:TREATMENT_SUMMARY vectors for the expression of tdTOMATO (mock), TMEM120A, or TMEM120B. 48 hours TR:TREATMENT_SUMMARY after transfection, the cells were treated with trypsin for 3 minutes at 37°C TR:TREATMENT_SUMMARY for collection, and counted via hemocytometer. One million cells per group were TR:TREATMENT_SUMMARY centrifuged to remove media and trypsin, and then washed with ice-cold PBS TR:TREATMENT_SUMMARY before the lipid extraction was performed. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY N2A-Pz1-KO cells were transfected using PEI-Max (Polysciences Inc) with 1500 ng SP:SAMPLEPREP_SUMMARY ptdTomato-N1 vector, 1500 ng TMEM120A-Tom, or 1500 ng TMEM120B. Cells were SP:SAMPLEPREP_SUMMARY harvested 48 hours after transfection. One million cells per group were SP:SAMPLEPREP_SUMMARY centrifuged, and washed with ice-cold PBS. Each cell pellet was resuspended in SP:SAMPLEPREP_SUMMARY 500 µL of resuspension buffer (0.05 M HCl, 49% Methanol, 1% SPLASH Lipidomic SP:SAMPLEPREP_SUMMARY Mass Spec Standard), and 1 mL methyl-tert-butyl-ether was added. Samples were SP:SAMPLEPREP_SUMMARY vortexed for 30 seconds, and 600 µL of the organic layer was transferred to a SP:SAMPLEPREP_SUMMARY new tube. Samples were allowed to dry overnight and stored at -80°C. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Lipidomics method (Vanquish Horizon) CH:INSTRUMENT_NAME Thermo Vanquish Horizon CH:COLUMN_NAME Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) CH:COLUMN_TEMPERATURE 55C CH:FLOW_GRADIENT 0 min, 25% B; 2 min, 25% B; 5.5 min, 65% B; 12.5 min, 100% B; 19.5 min, 100% B; CH:FLOW_GRADIENT 20.0 min, 25% B; 30 min, 25% B CH:FLOW_RATE 0.2mL/min CH:SOLVENT_A 90% water/10% methanol; 34.2 mM acetic acid; 1 mM ammonium acetate CH:SOLVENT_B 75% isopropanol/25% methanol; 34.2 mM acetic acid; 1 mM ammonium acetate CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:LABORATORY_NAME Su Lab AN:ANALYSIS_TYPE MS AN:OPERATOR_NAME Yujue Wang #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS Negative Ionization mode with ddMS2 MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Ion counts MS_METABOLITE_DATA_START Samples Mock_1 Mock_2 Mock_3 TMEM120A_1 TMEM120A_2 TMEM120A_3 TMEM120B_1 TMEM120B_2 TMEM120B_3 Factors Sample source:Neuro 2A cells | Transfection:Mock Sample source:Neuro 2A cells | Transfection:Mock Sample source:Neuro 2A cells | Transfection:Mock Sample source:Neuro 2A cells | Transfection:TMEM120A Sample source:Neuro 2A cells | Transfection:TMEM120A Sample source:Neuro 2A cells | Transfection:TMEM120A Sample source:Neuro 2A cells | Transfection:TMEM120B Sample source:Neuro 2A cells | Transfection:TMEM120B Sample source:Neuro 2A cells | Transfection:TMEM120B 15:0-18:1(d7) PA 358129.0900 464036.5300 448700.0300 398812.3800 433240.2500 460995.3400 373496.1600 419215.7200 425434.7800 15:0-18:1(d7) PC 6592216.5000 7855116.0000 8426734.0000 5886651.5000 5581779.5000 7528433.5000 6105730.5000 6482705.5000 8345306.0000 15:0-18:1(d7) PE 737192.0000 977777.4400 974683.0000 728882.5600 798531.9400 1031424.9400 736696.0600 917402.0000 1095950.0000 15:0-18:1(d7) PG 3457560.0000 3723491.2500 4270899.0000 2920802.7500 3146364.2500 3810053.2500 3145767.0000 3851010.0000 3978674.7500 15:0-18:1(d7) PI 903336.7500 1011552.0600 1161907.5000 988585.8100 965266.5000 982173.2500 814347.0000 971645.0000 1044925.5000 15:0-18:1(d7) PS 299118.9700 389311.5900 402191.5900 307135.9100 299153.8400 367264.2500 263374.8400 329993.5000 396495.4100 18:1(d7) Lyso PC 2007914.3800 2816266.7500 2890073.2500 2722967.7500 2620325.0000 2916320.0000 2302634.2500 2579600.2500 2928068.2500 18:1(d7) Lyso PE 836150.3100 1002804.0000 982397.0000 1069433.1200 1046703.4400 1036870.9400 912193.1900 980830.8100 906509.0600 18:1(d7) MAG 335366.1600 393841.2200 446870.4100 277226.9700 434529.7200 442600.3400 373192.2200 420925.7800 471818.4700 d18:1-18:1(d9) SM 1491747.1200 1982223.8800 2098279.2500 1429227.3800 1414039.5000 1826141.6200 1486891.6200 1610136.1200 2141255.7500 LPA(14:0) 62746.0800 135856.0200 119198.8200 199837.7300 379498.7500 454576.5300 114241.8100 85320.9500 272288.2800 LPA(16:0) 310801.5000 847718.3100 751230.0000 1843404.6200 3159194.7500 3500900.7500 657710.6900 522985.3800 1523006.3800 LPA(16:1) 77773.4700 273570.8400 208465.8000 81262.4300 477730.5900 624940.7500 245936.4500 135915.2000 516280.3400 LPA(18:0) 256848.0500 568970.1900 588863.7500 985904.1900 1751871.3800 1985187.0000 594517.1900 428143.0000 1079014.3800 LPA(18:1) 465586.5900 1609001.5000 1338214.1200 625393.1900 2484637.2500 3212913.2500 1298033.8800 910740.0000 3236943.2500 LPA(18:2) 48742.3000 200460.7500 149278.1700 51513.1300 259319.2500 370214.5000 161527.5500 102828.2500 363992.0300 LPA(18:3) 3083.4000 9811.5900 12792.2000 2305.4000 17456.6500 21646.6200 9105.0700 3221.4800 18490.3900 LPA(20:0) 18301.0000 20215.7500 24815.5000 49095.4200 90320.1500 83299.0500 23671.5000 18601.0700 51950.9400 LPA(20:1) 80559.1200 217306.0800 161567.1200 86207.9000 285377.3100 363000.7500 179782.3800 129896.3100 385373.8800 LPA(20:2) 27301.6500 131171.7000 98150.7600 35489.6700 200271.6700 213596.3100 101029.7000 87104.6200 235487.5000 LPA(20:3) 40657.5200 158208.8100 145461.8000 36745.8900 222309.3000 274298.7200 132464.8900 93536.6500 302859.8100 LPA(20:4) 94056.8500 345579.9100 285739.7200 93894.3200 438306.0900 602033.3100 265912.0300 187377.0800 558687.2500 LPA(20:5) 3050.9700 28850.0100 20584.1700 5663.8400 34778.8500 42623.0400 22467.6200 13892.1600 54641.2000 LPA(22:1) 20623.1900 32833.6800 23952.0600 14514.4600 48131.3900 66774.2200 26507.7300 19493.0700 60989.6800 LPA(22:2) 5826.3500 20167.4700 15433.0600 3147.7700 22706.3400 32065.6000 17061.6900 5424.0200 36546.8900 LPA(22:3) 6458.9900 8885.7300 10551.7600 6827.7600 12627.9700 23708.5100 6306.9100 30384.7800 LPA(22:4) 12609.1000 45320.1100 41283.2800 7658.3200 70918.1000 67064.5400 45286.4300 25289.1600 81025.7400 LPA(22:5) 15607.4200 73441.0400 74220.0700 25219.9400 128318.3500 148551.6900 74589.7500 36707.2800 163147.3000 LPA(22:6) 27225.7900 92779.8400 69289.4000 24316.1800 124267.2100 181977.4200 71600.6600 59673.0200 140983.4800 LPA(24:0) 39256.5800 62732.2000 60659.1100 56061.8100 58572.4700 69554.1800 72835.5500 83604.7000 36521.1800 LPA(24:1) 1322420.6200 1602780.8800 758166.1900 427252.5000 769790.3100 1321097.0000 1043585.3100 1161325.3800 615909.1900 LPG(14:0) 45313.9000 108264.5900 117484.1500 43299.1000 119582.2700 135822.3000 76420.2700 75095.5500 120280.5100 LPG(16:0) 463883.6200 723155.2500 846181.7500 402339.8400 993624.7500 1075848.2500 619749.5600 651805.6900 1250820.8800 LPG(16:1) 123324.4400 205496.6200 215509.8600 97302.2000 285428.3800 309346.9700 190904.8000 181316.8300 353474.6600 LPG(18:0) 614585.8100 826965.1900 916891.4400 409372.0300 1212149.2500 1239485.8800 644711.6900 832778.5600 1318322.5000 LPG(18:1) 1484423.6200 2613623.2500 2789730.7500 1247506.8800 3674929.0000 3757583.0000 2320481.5000 2391737.2500 4743103.5000 LPG(18:2) 58175.1900 83057.7100 97610.2400 35475.5200 109731.5300 119290.0600 80681.5900 74291.3700 160677.3900 LPG(20:0) 4246.6400 12957.6100 5824.6000 2753.0400 15533.3200 10902.5100 11566.6400 9164.2300 15686.9000 LPG(20:1) 125115.0900 250062.4200 230684.1200 104815.2600 281337.0000 285251.0300 178846.0800 186824.9800 416072.9700 LPG(20:2) 43795.3500 91894.2200 86895.3300 24583.8500 107473.9800 88409.3800 72256.0900 71124.5500 155795.3600 LPG(20:3) 15905.2100 37949.7500 47837.4300 7224.4300 42188.2900 38784.0900 34861.9500 27410.5700 54413.7100 LPG(20:4) 21388.9400 47254.6800 39792.7900 17645.8200 47451.0000 54932.9600 35879.4300 32540.5400 69625.2600 LPG(22:0) 5661.4800 11273.8200 9087.6700 5829.7900 4105.4500 6948.5300 7101.8000 10291.8000 15060.5000 LPG(22:1) 13105.3500 10364.2000 15324.2700 10538.6000 16166.0500 23863.3100 12091.2400 13407.5000 18195.8500 LPG(22:5) 15800.4400 34712.0200 40005.4700 11447.5100 41881.8600 36056.0700 27428.3800 28494.1800 48372.4400 LPG(22:6) 5661.4800 11273.8200 9087.6700 5829.7900 4105.4500 6948.5300 7101.8000 10291.8000 15060.5000 LPG(24:0) 54593.9300 68255.0400 53936.6800 31590.9800 51457.0100 40286.4700 53792.0800 66220.0200 68280.1600 LPI(14:0) 24694.6500 37235.3200 33424.1300 25843.5800 54528.6200 69076.5900 29369.5300 36479.1200 52844.5000 LPI(14:1) 4835.4900 3601.4300 8059.3600 6020.8100 11754.2400 14329.6200 8436.3900 6278.8200 12478.5900 LPI(16:0) 872396.8100 1297187.6200 1371291.5000 914223.5600 1837993.3800 1940016.6200 969809.6900 1104886.6200 1888000.3800 LPI(16:1) 196423.3000 301845.3800 338470.2800 226712.3900 522774.0000 508460.9100 245473.0000 312295.6600 507145.2200 LPI(18:0) 7820116.0000 11187312.0000 11441253.0000 8376333.5000 15991287.0000 15114268.0000 9493820.0000 10908076.0000 16947976.0000 LPI(18:1) 5442489.5000 8759659.0000 8844535.0000 5768200.5000 13170803.0000 12304885.0000 7170278.5000 8094049.5000 14235651.0000 LPI(18:2) 277467.0000 493627.6200 414491.1200 282733.5900 666615.9400 621483.3100 399622.7500 476299.5900 745264.9400 LPI(18:3) 23660.9600 64922.4400 35142.9500 27793.9100 65093.3100 63440.0800 38329.6400 49074.1400 74153.5400 LPI(20:0) 114305.8200 164141.7300 156326.3800 129853.3800 230069.6100 219775.3800 152432.7000 164541.9800 270794.5300 LPI(20:1) 515800.4100 790408.5000 679853.7500 452188.2200 1025120.2500 901844.9400 628775.9400 699584.1900 1096287.3800 LPI(20:2) 980592.0600 1612056.0000 1548544.1200 1030174.8100 2324990.2500 2249933.7500 1508819.6200 1515842.8800 2733300.7500 LPI(20:3) 1140344.3800 1718389.3800 1668237.6200 1027185.1900 2461290.7500 2253896.0000 1452733.5000 1563928.6200 2907410.2500 LPI(20:4) 2337989.0000 3762976.7500 3818103.2500 2196613.0000 5342423.5000 4987825.0000 3397113.2500 3317340.2500 6080996.0000 LPI(20:5) 52090.2500 90350.4900 79705.1000 63488.2000 129886.0700 135921.3100 81272.0900 100924.4500 139756.2700 LPI(22:1) 20205.8300 38241.7600 36678.6500 19581.3000 56012.3600 50707.7400 28474.2900 31011.4100 58862.1100 LPI(22:2) 33526.0300 78170.6300 50255.2200 37491.4000 88143.0600 95713.8500 57285.4300 60550.0000 122238.7600 LPI(22:3) 22745.1800 31433.4100 39153.4700 20560.1500 57538.5900 43721.2300 33001.0000 29241.8200 45667.1300 LPI(22:4) 88039.2300 160342.9200 137511.7000 74159.0700 222211.8300 206510.0600 137444.8800 136980.7000 262678.5300 LPI(22:5) 131488.5800 205186.6200 223321.6700 104838.5300 258223.7500 263256.4700 164703.0200 164027.1100 298081.9100 LPI(22:6) 91285.5400 145305.1900 162026.6400 72780.8300 194791.1400 195772.8600 118573.3200 135635.9800 200456.3800 PA(28:0) 65022.5000 82988.9900 86127.0000 138801.2300 147149.1400 149753.5800 58868.2600 86777.9900 79033.0600 PA(28:2) 87178.3400 102715.9100 109929.5100 86397.5300 82037.2000 84046.8800 109297.5200 93577.7500 106513.1600 PA(30:0) 334524.2200 408759.1200 390787.4100 993862.7500 1079502.0000 1156431.1200 273884.7800 398070.4100 351780.2500 PA(30:1) 73877.0000 52706.0700 35401.0500 69206.8600 113795.3400 92518.9600 25726.1100 47260.7100 90719.8700 PA(32:0) 524121.5300 623349.4400 531410.1900 2801047.2500 2931606.0000 2936382.0000 525527.3800 596319.0000 530151.9400 PA(32:1) 407823.2800 436922.3400 401004.7800 487303.7200 605882.4400 492766.9100 290791.2800 445040.6600 444962.0300 PA(32:2) 20132.7400 6337.4700 37897.0900 33775.4800 29749.0000 37283.9100 12555.1200 65016.9800 19857.6500 PA(34:0) 176783.3600 243476.6400 220127.0800 1152907.1200 1148892.3800 1144869.2500 248818.6700 243626.6200 209381.1700 PA(34:1) 1089877.3800 1125423.0000 1138719.6200 1383513.7500 1519905.8800 1578492.8800 935496.3100 1212129.8800 1141913.1200 PA(34:2) 160471.8900 173338.8000 172014.1700 183375.8300 210565.8600 206749.7700 131679.8300 185410.1200 171720.7000 PA(34:3) 7663.0800 8561.4700 8251.3500 6548.4400 13435.3900 5415.3000 4459.7700 5641.7100 13548.6200 PA(36:0) 24893.6000 16907.6700 161656.7000 169619.7000 131550.9700 22025.6300 24920.7400 PA(36:1) 1312731.1200 1259236.2500 1456241.8800 1370279.5000 1456154.6200 1629576.8800 1119048.8800 1409304.6200 1417120.0000 PA(36:2) 655540.4400 689885.7500 743550.1900 619115.9400 661530.8100 805920.0000 608536.4400 795984.5000 688000.8100 PA(36:3) 60266.7700 69370.1400 66692.0100 51042.5100 32308.2400 41048.1100 49052.4100 76295.1400 61523.4400 PA(36:4) 48812.9200 51749.4200 57318.0400 34501.8100 44013.5600 55569.6700 37229.8500 48215.3000 47085.5500 PA(38:0) 19820.5900 25289.9200 24719.1200 56000.6100 37750.9700 47234.4700 41650.3900 49003.8000 22969.8900 PA(38:1) 118138.5400 117510.9000 102518.4100 136970.4800 176259.8900 121810.5100 122631.4800 96309.7900 99944.8500 PA(38:2) 277916.9400 295377.9100 370356.1600 285050.5000 367455.3400 418630.5000 348074.4100 435007.8800 431681.5000 PA(38:3) 365003.5000 380432.2200 456447.0900 306736.2500 342414.0000 408478.8400 366919.5000 477991.3400 487172.0300 PA(38:4) 548080.1900 564476.0600 605007.9400 373441.4700 548252.8100 638030.8800 444705.8400 610591.8100 618127.0600 PA(38:5) 63740.5500 88844.5600 97610.8100 52735.2500 60095.2000 108603.2500 60173.2500 101999.7700 77198.8400 PA(38:6) 11127.1600 26190.3200 16682.3900 17055.1600 18935.4600 23622.5800 17216.3700 23023.7900 11083.8700 PA(40:0) 7185.9700 15075.3900 10953.0800 46363.3000 43151.1400 45621.7500 6044.8400 10712.7300 6807.9900 PA(40:1) 30544.4800 37186.4000 45364.6100 60457.8800 38055.0300 52975.2700 32163.7900 31025.6700 34821.3000 PA(40:2) 67580.1900 66851.8800 78296.1600 52537.7600 68981.4500 50787.7700 43856.3800 45996.7300 52977.4000 PA(40:3) 116037.5200 117789.7200 110054.4100 92327.5200 81492.2000 83786.9500 97629.4400 117736.2500 124881.3500 PA(40:4) 20012.8500 10080.6100 23649.6000 18527.2700 20560.7800 20575.1500 18840.6000 51158.3300 PA(40:5) 39469.7800 35061.9900 22473.6700 20528.4100 31425.7700 22386.8000 32625.1300 23161.7400 36975.8000 PA(40:6) 15592.6900 35977.6200 14232.2400 47412.6100 20106.0600 17136.2100 29372.9300 25329.6000 13193.0400 PA(42:0) 6987.0400 8212.9000 5802.2400 25666.8700 11384.6400 16434.1300 5272.1100 2510.5600 7582.1300 PA(42:1) 48303.6700 43388.2200 43748.4700 46230.7000 53506.1800 49140.2900 48922.2000 33537.9500 29167.6200 PA(42:2) 58544.8800 65974.2100 61334.7200 50194.1400 56527.3600 56668.6500 50279.9100 43026.2000 61190.4800 PA(42:3) 154086.9500 166898.5000 160506.6900 124307.8800 134335.1900 186476.3900 194904.1700 133687.2300 197809.6900 PA(42:5) 28327.7900 14873.9300 12902.2700 12857.3400 31668.1800 11464.4400 11605.1800 18883.8500 12521.7300 PA(42:6) 24514.6200 44882.9500 44188.3400 19296.2000 29270.6300 41013.3400 29396.8700 28880.7000 44590.0200 PA(42:8) 32370.4000 10561.2100 14879.1800 16540.3600 27181.1200 35717.6500 19210.3800 14652.9700 17034.9000 PA(44:2) 6592216.5000 7855116.0000 8426734.0000 5886651.5000 5581779.5000 7528433.5000 6105730.5000 6482705.5000 8345306.0000 PA(44:3) 262692.1900 236199.5200 259510.3900 225647.5000 220638.9200 259482.6200 234146.3600 192489.5500 232920.3000 PA(44:4) 265430.7200 288506.3100 315819.6600 114431.6500 221451.8000 285900.9100 269867.1600 233808.4400 240059.3000 PA(44:8) 44086.3900 63910.7000 41689.1900 25888.9900 26182.3300 42906.6100 22846.6500 16821.6800 44696.4800 PA(44:9) 90435.5600 90553.0900 42989.2400 54116.1400 73534.7700 82925.4200 68396.1600 25867.6400 76526.9100 PA(46:10) 22227.1400 21341.9700 35890.9200 9349.5800 16621.2200 20642.0800 32491.6200 11153.1800 17887.1900 PA(46:11) 94334.1200 97657.4400 102834.9100 89924.5300 95336.5600 113936.9500 70639.3200 85205.2000 94005.3400 PA(46:2) 18140.4300 11062.6800 29267.5300 23064.5400 15397.8700 14987.4300 14763.8700 19775.3000 11787.6700 PA(46:3) 129077.4100 112660.1500 116747.3500 102123.9800 106547.6200 114897.2700 110070.5000 121439.8500 106012.5500 PA(46:4) 272184.7500 320464.0900 314740.5900 253395.5600 265704.9100 281272.2200 271998.0000 261490.0000 277934.0900 PA(46:6) 273292.3800 124639.0100 129377.8200 288746.6600 423002.2500 300041.5000 280462.0900 311877.4400 150513.4700 PA(46:7) 37580.3800 44830.3400 38743.0100 49194.3200 50206.8600 31197.6200 20903.0600 49450.7600 32273.4500 PA(46:8) 226472.4400 235504.2300 226297.8800 226597.1100 225326.2000 235011.8300 213835.8800 182543.1100 201789.5200 PA(46:9) 131235.2500 155666.9800 147455.3600 125612.6200 175814.3600 108279.1900 130799.5300 149178.0000 111972.9400 PA(48:0) 64623.1700 59705.9200 53661.4500 58331.5000 94098.8400 59104.4200 34628.2700 37816.4300 71025.4000 PA(48:1) 77542.7300 68799.8800 54574.4100 46582.2300 62224.2000 54591.4600 103256.6600 121014.8500 93443.4300 PA(48:10) 38547.9800 19975.1400 31495.1500 63453.1700 60711.7500 53768.3000 44482.7200 62242.5200 35614.5700 PA(48:11) 99539.6300 68866.0400 77701.9900 44991.4500 74838.8000 116874.2100 65107.5000 57873.6100 92194.1200 PA(48:12) 43044.4300 24902.7900 17443.0600 21197.7700 19340.5900 29071.2600 37826.6700 10268.8000 19724.2900 PA(48:2) 8053.8800 7170.6900 9050.4000 9058.3900 PA(48:3) 70127.2000 57333.0700 72535.4600 62379.4600 71187.0900 47391.9700 52778.3400 71512.4400 63843.9200 PA(48:4) 123184.6300 127136.9100 107654.7200 103603.0200 105692.6900 110290.0200 125663.3400 132742.3800 119247.5600 PA(48:5) 28417.8700 11884.0800 26328.9500 13726.7400 42862.8500 18965.1600 15858.9100 41502.1200 29232.7900 PG(30:0) 211973.1700 258999.9200 255776.1100 138325.8000 247663.1400 247797.3300 110700.3500 176926.3600 129396.1600 PG(30:1) 23468.0800 34761.1100 28482.0900 24185.9700 34441.5300 22569.9600 17210.6100 36466.6400 35089.7700 PG(32:0) 486349.0000 511805.4100 580215.5600 460778.0300 524399.3100 594506.8100 443204.4700 549269.1900 526978.9400 PG(32:1) 727024.1900 898789.1900 914568.4400 746891.5000 929306.3100 1053396.8800 816038.0000 1098246.5000 1037087.5000 PG(32:2) 35394.0400 44661.9100 47068.8300 51029.2900 72535.1600 47161.6400 44791.5000 59078.7000 69374.9300 PG(34:0) 933538.3100 886542.9400 1164603.7500 1396134.1200 1660077.5000 1488398.5000 1225115.5000 1726277.8800 1577541.6200 PG(34:1) 7098082.0000 7712466.5000 7649515.5000 5967168.0000 7306009.5000 7314487.5000 6190680.0000 8867383.0000 8759767.0000 PG(34:2) 1192840.2500 1462810.6200 1143347.6200 1117836.5000 1370047.6200 1229414.3800 1103125.5000 1803391.8800 1428971.5000 PG(34:3) 29355.5600 52375.4200 34929.1800 29579.0900 67941.3800 55749.9700 35568.9700 73560.0400 36270.3000 PG(36:0) 386154.3400 419031.4700 386007.3400 508900.0000 688334.4400 498508.9700 459682.9100 571608.8100 502993.7500 PG(36:1) 4736053.5000 4947833.5000 4222573.5000 3966757.7500 4594379.5000 3976680.0000 4361408.5000 5694523.5000 4893331.5000 PG(36:2) 8897435.0000 9503965.0000 7716448.0000 7420833.5000 9507704.0000 8479215.0000 8148452.0000 11138163.0000 10292168.0000 PG(36:3) 628336.3100 728011.5000 621770.5600 567037.3800 748218.2500 542322.1900 595047.6900 716120.1900 583288.3800 PG(36:4) 69886.4300 57732.5000 86716.2800 52561.5000 108367.0100 97884.0900 87871.4100 104284.5600 124040.9700 PG(36:5) 7166.5800 10809.6800 10172.6300 14306.9000 13571.3700 15326.6000 15279.3000 12689.0600 7736.9000 PG(38:0) 13178.4200 22722.3800 20775.0000 11184.9800 24134.8900 34406.3600 12180.7500 29124.6300 25442.0000 PG(38:1) 315861.5000 290445.2800 305544.9400 285940.1900 371427.5300 371135.0000 235781.6100 496171.3400 360856.2800 PG(38:2) 1691943.3800 1906594.1200 1483674.0000 1456952.3800 1872468.6200 1606979.8800 1548382.3800 2295117.0000 1943558.1200 PG(38:3) 701250.0000 808330.8100 595692.7500 571227.4400 749536.2500 645949.3100 636106.9400 947348.1900 851389.2500 PG(38:4) 189630.1200 196522.0600 164171.6400 115433.2300 210491.2000 181878.6700 191265.7300 258060.3000 179390.8800 PG(38:5) 149635.3600 231617.9500 139730.5200 112551.3400 156896.2300 64007.8800 84105.8200 177755.8900 146918.2300 PG(38:6) 183852.7000 85913.1600 164555.3000 121328.8400 195245.6400 123524.9100 132404.6100 142200.5000 124926.0000 PG(38:7) 75019.1000 90676.6600 75044.2200 61640.8900 79999.1500 68364.6600 72944.2000 76731.4000 87949.5700 PG(40:1) 267801.5900 243980.8300 227972.5000 250016.3800 285561.8400 249071.0500 241755.2000 298010.5000 256396.0800 PG(40:2) 156263.4700 163570.1200 123549.8400 151982.2700 190417.0000 169586.1400 176560.3900 206896.3900 220582.0000 PG(40:3) 101683.2700 109226.7300 85911.5900 77251.0500 111608.7200 90311.9800 74263.9100 140157.8600 94421.0400 PG(40:4) 75465.1900 74223.4200 76520.8400 35870.1400 84147.9800 63984.5700 62531.9700 98831.4000 74880.1000 PG(40:5) 201438.8300 70631.0100 45032.5400 51575.4100 65950.4300 66090.8000 118407.3200 72965.2700 109625.5000 PG(40:6) 208909.0500 232539.0600 175882.4200 171947.0800 240788.3100 216005.9800 230180.7500 280740.8800 239422.6200 PG(40:7) 1157600.8800 1365637.0000 977055.7500 967210.6900 1225742.0000 1204546.8800 1078858.5000 1574938.1200 1292765.8800 PG(40:8) 39754.3800 57822.9500 50199.5400 23587.5000 43756.3900 19945.7100 33610.5100 25363.5400 55758.5900 PG(42:1) 265698.6600 210740.0600 201289.0600 153926.0800 220680.9800 150713.7800 203999.3600 238874.2000 181261.0500 PG(42:10) 27753.6500 38015.2300 22305.7600 56302.7500 73876.4000 66459.4100 27710.2700 25135.1600 52476.1200 PG(42:2) 77144.6700 96084.3000 67280.1100 35040.7700 84414.9200 62968.5500 44405.7400 73874.4000 61103.7100 PG(42:7) 26983.0000 42997.5400 19682.8800 17200.7700 24790.5900 34815.8400 24227.6400 29502.1600 23393.1600 PG(42:8) 131411.5500 79713.5100 110213.8400 59926.3300 207829.1400 163510.8900 110818.7700 142823.5800 74552.1700 PG(44:11) 28616.7300 36983.5900 38860.1700 31831.0900 48308.3000 32769.0700 37421.2000 28331.1500 33782.1300 PG(44:12) 77523.1700 80106.9900 101609.5200 56795.2500 86936.2500 75141.7300 59621.5000 88485.1000 105832.1600 PG(44:7) 132463.5600 132564.6600 46135.0400 219673.2000 285508.6600 400204.4700 70753.1000 94848.4600 108483.6600 PG(44:8) 299114.7500 560032.5000 549770.1200 836568.1900 401643.3800 890078.3100 784936.7500 708738.1900 267650.9100 PG(44:9) 32594.1400 39741.4800 37551.9200 40853.0600 112829.4400 32654.4200 36330.5600 74206.7000 33063.2900 PG(46:7) 61899.2500 63693.4200 75965.1600 92123.4000 48071.3600 69459.4300 70764.0400 32885.5100 55511.9900 PG(46:8) 921760.6900 915504.0000 925335.6900 744623.3100 870267.3100 855575.9400 959259.8100 795176.1900 820482.0000 PG(46:9) 478324.3400 470750.1600 496922.7500 439802.7500 483741.2200 502929.1600 513326.8800 473306.6600 465812.0900 PG(48:1) 27348.5500 22237.5200 29766.1600 26754.2200 36564.9800 5828.9400 5856.9100 24520.0900 PG(48:10) 101864.8200 136451.3100 91131.5100 124223.1600 70344.7900 91163.7200 87187.5700 100254.7300 39734.1200 PG(48:11) 64747.7600 79837.4500 80135.1000 76352.1600 76163.2800 94262.2600 77916.4000 71633.5600 78685.0600 PG(48:12) 12831.1400 21699.4900 12377.3800 9626.9900 18410.1800 13287.1100 11640.3500 13716.3600 8536.4700 PG(48:2) 3607.4300 21152.3500 7675.4500 39098.2900 23749.2600 30040.0100 20757.2100 10991.9300 30087.6700 PG(48:7) 26465.9000 15444.9200 35118.0900 43607.8900 24874.1000 13678.3000 26584.0700 18475.1900 26912.8600 PG(48:8) 497755.0000 561082.3100 599806.8100 569620.8100 452834.6600 534072.1900 501647.1600 476333.3400 522168.1200 PG(48:9) 409887.0900 404210.1200 349246.6600 292037.0300 253953.1700 337260.5900 350670.2200 359598.5900 281148.3800 PG(O-34:1) 56746.0600 87172.7300 59135.6100 106316.0400 88752.0500 121576.3400 70838.5600 61614.1100 121880.3500 PI(30:0) 55763.8400 34510.1900 41015.8400 26237.1000 37075.6200 48287.8000 20253.7200 42428.8600 39252.5900 PI(30:1) 10390.5500 27570.5300 14159.6100 19930.5200 18481.7800 16945.5600 30473.9900 25430.0200 54558.1900 PI(32:0) 495813.8800 539233.7500 433867.6600 629439.0000 566121.3800 635947.5000 370328.7200 532187.7500 440884.2500 PI(32:1) 581808.8100 507108.8400 595994.3100 735570.5600 707800.8100 522886.0300 369084.7200 718136.5600 643621.1900 PI(32:2) 50443.4800 52085.2700 60005.7500 64741.7000 68880.6600 62707.9400 38940.5000 71553.4100 59287.1800 PI(34:0) 2879908.0000 3003210.0000 2856933.0000 2894332.0000 3274232.7500 3131810.7500 2306393.7500 3105034.0000 2551599.0000 PI(34:1) 5681236.5000 5725446.5000 5657378.5000 7320005.5000 7849474.0000 7175369.5000 4660844.5000 7261230.5000 6190459.5000 PI(34:2) 2045318.1200 2137382.2500 1994548.6200 2561318.2500 2576816.0000 2369822.0000 1845711.1200 2867077.2500 2338274.7500 PI(34:3) 40868.7700 38003.9300 37308.2600 67947.9100 46366.4800 47000.0300 61417.8900 41831.3200 73730.5900 PI(34:4) 27272.0200 49691.0800 14746.6200 23988.6400 20954.1800 22901.5600 20717.3300 35578.7300 28820.3200 PI(36:0) 716939.5600 761314.8100 480110.7200 987848.3100 943068.6900 837604.1900 675286.5600 575454.0600 784423.5000 PI(36:1) 14480584.0000 14452485.0000 14089537.0000 18456694.0000 18727366.0000 16461700.0000 12340107.0000 17869384.0000 16224000.0000 PI(36:2) 20594838.0000 21730314.0000 17807672.0000 21695554.0000 22789502.0000 19924882.0000 17979288.0000 25994568.0000 22512390.0000 PI(36:3) 1796213.3800 1989452.5000 1633622.8800 1885838.5000 2253445.2500 1685892.3800 1590140.1200 2558119.7500 2023040.6200 PI(36:4) 2122819.7500 2179606.7500 2182300.2500 2213634.0000 2534100.7500 2153700.2500 1649118.6200 2675199.7500 2337527.7500 PI(36:5) 86621.6900 52130.9800 130912.0500 101301.0200 141519.3000 128200.0000 112631.2100 62986.8100 110112.5900 PI(38:0) 247524.7700 290228.7800 315971.5900 300184.8800 371682.6600 277618.3800 319274.0900 364628.3800 328249.1200 PI(38:1) 2211075.7500 2175172.7500 1720552.6200 2446169.7500 2491788.2500 2256995.7500 1739164.5000 2642438.0000 2046207.6200 PI(38:2) 10539729.0000 10765355.0000 9497429.0000 10695169.0000 11493097.0000 9822579.0000 9778257.0000 12786147.0000 11416925.0000 PI(38:3) 15328545.0000 15078991.0000 13429203.0000 14618529.0000 16836512.0000 12998581.0000 13223023.0000 18886878.0000 15989613.0000 PI(38:4) 30983024.0000 32445048.0000 29958032.0000 32277390.0000 34696196.0000 28798824.0000 27478918.0000 36793824.0000 33473926.0000 PI(38:5) 8305750.5000 8683963.0000 7486324.0000 7284040.0000 8133874.5000 7204148.0000 6978797.5000 10162915.0000 8588516.0000 PI(38:6) 414035.6200 282063.9700 407553.8400 248162.2000 388784.2500 287515.0300 319657.2200 472560.8800 335641.2200 PI(40:0) 96108.5400 80206.3800 76546.1900 52017.0500 84442.3700 68093.0200 73739.5900 103130.9100 75864.2000 PI(40:1) 178966.0000 152090.7300 118651.5400 136946.5200 126085.8800 192033.4500 127853.2500 194945.5200 159199.6400 PI(40:2) 652037.5000 654874.5000 547838.7500 633571.3100 716021.1900 637950.5000 570638.2500 831266.2500 711832.6900 PI(40:3) 846851.3100 878507.3100 654736.3100 773706.8100 901205.8100 740443.1900 776416.2500 1068768.6200 851698.1900 PI(40:4) 1168808.5000 1228818.8800 1114877.8800 1216844.1200 1352107.0000 1072923.5000 987972.8100 1371530.0000 1244994.5000 PI(40:5) 2000306.0000 2090193.5000 1812159.6200 1833991.1200 2096859.0000 1719887.3800 1653300.3800 2221627.0000 1892304.3800 PI(40:6) 980115.5600 1186109.3800 1074193.5000 1160318.6200 1167474.0000 1130675.6200 1007303.9400 1359983.3800 1104321.8800 PI(40:7) 555952.5600 626307.6900 508102.8400 382170.0000 493085.6200 417357.2500 444501.1600 653831.8100 420383.8800 PI(42:0) 20863.2800 7573.0500 17959.4000 11860.1400 11104.4000 12195.0000 10463.1300 11022.4600 8986.9000 PI(42:1) 24727.2700 40671.5500 27203.6100 28305.6100 41721.5000 27809.5000 31794.7200 27321.9000 11711.6700 PI(42:10) 14534.3900 9881.3900 8179.7500 4105.2700 6250.3600 12350.2500 3340.1400 PI(42:2) 83719.4800 34227.4000 47765.6600 32912.3200 36087.5000 39351.2600 47715.3900 32663.2600 61767.7700 PI(42:3) 39914.8800 44268.0200 15798.7300 25703.2200 30027.7000 23820.0500 18749.6300 54859.2500 20953.1200 PI(42:4) 45512.4400 15824.8800 33863.3000 13497.0500 45032.4700 23541.7900 38344.8000 30637.7000 26868.5100 PI(42:5) 39767.7800 58846.1100 23919.6000 14383.7700 20880.6200 44564.4000 32859.6400 30022.8200 27889.0900 PI(42:6) 50129.7500 49193.2200 39643.6400 26541.0400 15176.2400 28480.1700 49335.8600 58027.6400 40119.3900 PI(42:7) 30285.9500 34724.5200 37572.7000 12086.2400 12704.0300 46336.1400 23485.0200 50140.5200 36340.4800 PI(44:0) 25614.3800 22838.4100 18471.1900 38382.8200 9286.8400 12511.9700 23396.8800 34575.4400 23529.7100 PI(44:1) 16943.7500 21478.0600 5345.3000 10910.9700 7779.7300 9163.6200 9145.2200 9478.0600 12161.8300 PI(44:2) 8996.1400 7299.9800 5530.2600 5919.3800 PI(48:0) 21185.8600 43530.1600 33660.2000 22071.4800 25577.2900 17634.7000 28923.9400 31471.1100 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 15:0-18:1(d7) PA 666.509216 15:0-18:1(d7) PC 811.622009 15:0-18:1(d7) PE 709.552917 15:0-18:1(d7) PG 740.54718 15:0-18:1(d7) PI 828.563721 15:0-18:1(d7) PS 753.544067 18:1(d7) Lyso PC 587.405457 18:1(d7) Lyso PE 485.337402 18:1(d7) MAG 422.350342 d18:1-18:1(d9) SM 796.655151 LPA(14:0) 381.20459 LPA(16:0) 409.23587 LPA(16:1) 407.220123 LPA(18:0) 437.267303 LPA(18:1) 435.251556 LPA(18:2) 433.235809 LPA(18:3) 431.220093 LPA(20:0) 465.298737 LPA(20:1) 463.28299 LPA(20:2) 461.267059 LPA(20:3) 459.251495 LPA(20:4) 457.235809 LPA(20:5) 455.220154 LPA(22:1) 491.31424 LPA(22:2) 489.298706 LPA(22:3) 487.283142 LPA(22:4) 485.266998 LPA(22:5) 483.251221 LPA(22:6) 481.235718 LPA(24:0) 521.359619 LPA(24:1) 519.347595 LPG(14:0) 455.241364 LPG(16:0) 483.272125 LPG(16:1) 481.256836 LPG(18:0) 511.303497 LPG(18:1) 509.287994 LPG(18:2) 507.27298 LPG(20:0) 539.335205 LPG(20:1) 537.319092 LPG(20:2) 535.30365 LPG(20:3) 533.287842 LPG(20:4) 531.272217 LPG(22:0) 567.367004 LPG(22:1) 565.349121 LPG(22:5) 557.288147 LPG(22:6) 567.367004 LPG(24:0) 595.397461 LPI(14:0) 543.256592 LPI(14:1) 541.241638 LPI(16:0) 571.28833 LPI(16:1) 569.272644 LPI(18:0) 599.319702 LPI(18:1) 597.304016 LPI(18:2) 595.288452 LPI(18:3) 593.272888 LPI(20:0) 627.349609 LPI(20:1) 625.33551 LPI(20:2) 623.320068 LPI(20:3) 621.304382 LPI(20:4) 619.289001 LPI(20:5) 617.273315 LPI(22:1) 653.366516 LPI(22:2) 651.351196 LPI(22:3) 649.33551 LPI(22:4) 647.319702 LPI(22:5) 645.304138 LPI(22:6) 643.28833 PA(28:0) 591.402954 PA(28:2) 587.371277 PA(30:0) 619.434509 PA(30:1) 617.419495 PA(32:0) 647.465515 PA(32:1) 645.449951 PA(32:2) 643.43457 PA(34:0) 675.498657 PA(34:1) 673.482849 PA(34:2) 671.465637 PA(34:3) 669.44812 PA(36:0) 703.529236 PA(36:1) 701.513916 PA(36:2) 699.498047 PA(36:3) 697.482422 PA(36:4) 695.467041 PA(38:0) 731.559937 PA(38:1) 729.544678 PA(38:2) 727.528992 PA(38:3) 725.513672 PA(38:4) 723.498047 PA(38:5) 721.482605 PA(38:6) 719.466675 PA(40:0) 759.593506 PA(40:1) 757.577393 PA(40:2) 755.560791 PA(40:3) 753.543579 PA(40:4) 751.531372 PA(40:5) 749.515198 PA(40:6) 747.49884 PA(42:0) 787.625244 PA(42:1) 785.609192 PA(42:2) 783.591492 PA(42:3) 781.574402 PA(42:5) 777.547241 PA(42:6) 775.526184 PA(42:8) 771.500366 PA(44:2) 811.622009 PA(44:3) 809.604919 PA(44:4) 807.589539 PA(44:8) 799.531616 PA(44:9) 797.516052 PA(46:10) 823.531006 PA(46:11) 821.515686 PA(46:2) 839.65387 PA(46:3) 837.637512 PA(46:4) 835.6203 PA(46:6) 831.594727 PA(46:7) 829.578979 PA(46:8) 827.562805 PA(46:9) 825.546326 PA(48:0) 871.712708 PA(48:1) 869.696533 PA(48:10) 851.560486 PA(48:11) 849.547913 PA(48:12) 847.532166 PA(48:2) 867.681152 PA(48:3) 865.668701 PA(48:4) 863.653259 PA(48:5) 861.636169 PG(30:0) 693.472534 PG(30:1) 691.456909 PG(32:0) 721.503418 PG(32:1) 719.487732 PG(32:2) 717.472168 PG(34:0) 749.534851 PG(34:1) 747.518799 PG(34:2) 745.503052 PG(34:3) 743.487427 PG(36:0) 777.565857 PG(36:1) 775.551941 PG(36:2) 773.53595 PG(36:3) 771.520325 PG(36:4) 769.503967 PG(36:5) 767.489502 PG(38:0) 805.598633 PG(38:1) 803.582703 PG(38:2) 801.566772 PG(38:3) 799.551208 PG(38:4) 797.536072 PG(38:5) 795.520569 PG(38:6) 793.504761 PG(38:7) 791.489197 PG(40:1) 831.614014 PG(40:2) 829.596924 PG(40:3) 827.581787 PG(40:4) 825.56781 PG(40:5) 823.552979 PG(40:6) 821.535645 PG(40:7) 819.519592 PG(40:8) 817.504395 PG(42:1) 859.646484 PG(42:10) 841.502075 PG(42:2) 857.631165 PG(42:7) 847.55249 PG(42:8) 845.537231 PG(44:11) 867.520203 PG(44:12) 865.505371 PG(44:7) 875.584229 PG(44:8) 873.568542 PG(44:9) 871.552734 PG(46:7) 903.615967 PG(46:8) 901.600281 PG(46:9) 899.584717 PG(48:1) 943.740906 PG(48:10) 925.599854 PG(48:11) 923.584412 PG(48:12) 921.568237 PG(48:2) 941.724609 PG(48:7) 931.645813 PG(48:8) 929.631287 PG(48:9) 927.615479 PG(O-34:1) 733.539551 PI(30:0) 781.489136 PI(30:1) 779.470947 PI(32:0) 809.519226 PI(32:1) 807.503296 PI(32:2) 805.487915 PI(34:0) 837.551941 PI(34:1) 835.534668 PI(34:2) 833.519348 PI(34:3) 831.504456 PI(34:4) 829.484802 PI(36:0) 865.583008 PI(36:1) 863.56842 PI(36:2) 861.552795 PI(36:3) 859.536682 PI(36:4) 857.521545 PI(36:5) 855.506348 PI(38:0) 893.613342 PI(38:1) 891.598938 PI(38:2) 889.583679 PI(38:3) 887.568054 PI(38:4) 885.55249 PI(38:5) 883.536804 PI(38:6) 881.521179 PI(40:0) 921.644226 PI(40:1) 919.628723 PI(40:2) 917.614441 PI(40:3) 915.599182 PI(40:4) 913.583069 PI(40:5) 911.567627 PI(40:6) 909.551758 PI(40:7) 907.536499 PI(42:0) 949.677856 PI(42:1) 947.662537 PI(42:10) 929.520569 PI(42:2) 945.647461 PI(42:3) 943.631531 PI(42:4) 941.615906 PI(42:5) 939.598389 PI(42:6) 937.583435 PI(42:7) 935.568237 PI(44:0) 977.708252 PI(44:1) 975.693909 PI(44:2) 973.672302 PI(48:0) 1033.76416 METABOLITES_END #END