#METABOLOMICS WORKBENCH araskind_20170605_140115 DATATRACK_ID:966 STUDY_ID:ST000682 ANALYSIS_ID:AN001051 PROJECT_ID:PR000481 VERSION 1 CREATED_ON June 30, 2017, 11:41 am #PROJECT PR:PROJECT_TITLE Retinal tissue knockout to study efflux of cholesterol (AGCA1/G1 double KO - TY PR:PROJECT_TITLE and LysM cre) PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY ABCA1 and AGCG1, which is important gene to efllux the cholesterol from the PR:PROJECT_SUMMARY cell/tissue, are knocked out in specific retinal tissue. PR:INSTITUTE Washington University in St Louis PR:DEPARTMENT Department of Ophthalmology and visual sicences PR:LABORATORY Apte Lab PR:LAST_NAME Ban PR:FIRST_NAME Norimitsu PR:ADDRESS 660 S. Euclid Ave. Box 8118 St. Louis, MO 63110 PR:EMAIL BanN@vision.wustl.edu PR:PHONE 314-362-6690 #STUDY ST:STUDY_TITLE Retinal tissue knockout to study efflux of cholesterol (AGCA1/G1 double KO - TY ST:STUDY_TITLE and LysM cre) - part II ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY ABCA1 and AGCG1, which is important gene to efflux the cholesterol from the ST:STUDY_SUMMARY cell/tissue, are knocked out in specific retinal tissue. R:Rod specific, C:Cone ST:STUDY_SUMMARY specific. 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 5 ST:TOTAL_SUBJECTS 12 #SUBJECT SU:SUBJECT_TYPE Mouse SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0019520 S00027119 CRE:negative | SEX:m SUBJECT_SAMPLE_FACTORS SU0019521 S00027120 CRE:negative | SEX:m SUBJECT_SAMPLE_FACTORS SU0019522 S00027121 CRE:negative | SEX:f SUBJECT_SAMPLE_FACTORS SU0019523 S00027122 CRE:negative | SEX:m SUBJECT_SAMPLE_FACTORS SU0019524 S00027123 CRE:Rod Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019525 S00027124 CRE:Rod Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019526 S00027125 CRE:Rod Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019527 S00027126 CRE:Rod Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019528 S00027127 CRE:Cone Cre | SEX:m SUBJECT_SAMPLE_FACTORS SU0019529 S00027128 CRE:Cone Cre | SEX:m SUBJECT_SAMPLE_FACTORS SU0019530 S00027129 CRE:Cone Cre | SEX:f SUBJECT_SAMPLE_FACTORS SU0019531 S00027130 CRE:Cone Cre | SEX:f #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 POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area normalized MS_METABOLITE_DATA_START Samples S00027119 S00027120 S00027121 S00027122 S00027123 S00027124 S00027125 S00027126 S00027127 S00027128 S00027129 S00027130 Factors CRE:negative | SEX:m CRE:negative | SEX:m CRE:negative | SEX:f CRE:negative | SEX:m CRE:Rod Cre | SEX:f CRE:Rod Cre | SEX:f CRE:Rod Cre | SEX:f CRE:Rod Cre | SEX:f CRE:Cone Cre | SEX:m CRE:Cone Cre | SEX:m CRE:Cone Cre | SEX:f CRE:Cone Cre | SEX:f DG 32:0; [M+NH4]+@7.89 27515.65191 33237.28147 34939.41411 47859.06799 30948.88311 34390.46522 33312.74667 36103.66914 48551.98609 33639.30937 34976.59709 43104.66034 DG 34:0; [M+NH4]+@8.41 24604.98186 28424.82063 22076.53379 27046.87235 19605.41898 30665.76672 22346.43525 23145.35381 26470.2894 37570.79673 38129.75609 21414.18685 DG 36:0; [M+NH4]+@8.88 28611.11834 7197.565872 17404.51127 10389.72678 12127.47726 10591.84361 6124.347792 21070.53668 10183.02547 8187.885109 11264.93776 5722.881592 DG 36:1; [M+NH4]+@8.47 12624.30348 14943.208 14195.65889 16510.56464 14146.23908 18980.68263 7617.253352 17475.92212 17817.82274 21384.78564 22879.116 15178.8392 DG 36:2; [M+NH4]+@8.09 8588.482391 17320.16828 13130.45871 11100.59644 13285.17485 25192.54221 5718.710071 14632.94766 9610.298561 22403.1998 21001.31286 5832.638828 DG 36:3; [M+NH4]+@7.79 29406.74784 57861.31133 16166.99399 12020.62752 30799.62796 29320.79484 11423.25862 15514.003 14083.58971 17370.07829 16964.38549 22125.25018 DG 36:4; [M+NH4]+@7.57 224034.2091 296197.8157 69495.61441 128767.3736 206254.7663 178485.5472 101567.8487 72217.51112 74538.03489 72738.20996 67314.61911 179012.3694 DG 37:4; [M+NH4]+@7.84 6615.200008 11813.23083 3775.041561 6148.2758 9788.531781 8572.81756 3993.102729 2452.639668 5184.204631 9833.2989 6257.901149 9577.461293 DG 38:3; [M+NH4]+@8.31 41314.6926 34981.32194 9936.253185 12785.83588 26364.9078 25188.20816 23036.44903 9894.847216 13726.79022 15856.11525 15614.62026 15056.02611 DG 38:4; [M+NH4]+@8.02 277941.1679 300600.1502 140697.0212 160796.8629 140940.7464 279506.4784 227334.3035 213228.2563 132737.7023 169285.3101 131897.3685 135381.803 DG 38:5; [M+NH4]+@7.67 52265.22934 80201.65041 21949.87002 35365.17958 39225.73145 44459.94635 24736.32585 16180.6993 23351.13636 27788.83494 30850.87775 38938.66008 DG 38:6; [M+NH4]+@7.47 113103.4013 138025.0474 62574.84262 118508.0572 100291.644 90129.50854 64014.01744 52676.38794 71499.41634 63559.8538 61327.75947 95454.04652 DG 40:6; [M+NH4]+@7.97 132169.9964 78595.96281 70449.51431 109099.8135 92796.43258 74320.97068 78336.46976 90932.13102 83169.11422 74473.63355 109654.183 91592.49739 DG 40:7; [M+NH4]+@7.54 11387.44146 11553.87122 5959.695046 13988.97781 8309.771262 12622.43766 9889.438585 7378.540948 7237.184286 7008.219827 5452.766203 11773.39696 DG 42:10; [M+NH4]+@7.07 16692.2108 29192.98246 15527.27092 24243.19973 17145.78703 31608.31797 11708.25745 22293.57193 12460.72382 21266.66346 11365.26022 16174.78919 DG 44:12; [M+NH4]+@6.99 29902.09905 18754.36261 26750.56827 32817.80608 19340.93957 41573.62117 8822.469208 24279.03427 35082.701 20412.12081 17943.03811 17064.42039 MG 17:0; [M+Li]+@3.16 153668.1769 90631.19847 122015.9811 92269.9099 88560.71044 124478.0191 100890.1414 114721.4402 98494.29399 103435.3399 110978.6356 110423.5602 PA 42:9; [M+Na]+@4.71 24496.13726 23979.54815 6861.489719 13269.52915 18061.61257 23129.30836 13934.49846 9816.962712 8811.708395 7931.738264 22253.06205 14724.08068 PC 18:0; [M+Na]+@1.93 1965.96607 923.8512415 1722.738876 1367.178407 1136.600566 3136.292301 3879.577641 2300.458282 1989.055159 2508.821571 5405.178682 4225.214492 PC 32:0; [M+H]+@6.61 39057874.98 38670483.37 27037114.73 26361728.68 29270347.26 45307120.15 22652701.33 28011192.99 28670296.43 29633437.84 39613068.28 36766714.14 PC 34:3; [M+H]+@6.62 88023.55542 48609.06038 69870.80498 136002.0385 46249.71086 63055.84086 51317.37794 103021.2098 87185.9277 76259.59631 59113.8488 72798.25552 PC 34:4; [M+H]+@6.14 44837.32326 26852.85227 33554.33577 24243.81564 33145.01383 66614.98097 14605.17564 39881.3564 47605.57427 31847.61144 38821.00501 40843.82072 PC 38:4; [M+H]+@8.51 19028.60199 33839.7559 51665.3156 29225.48841 42845.05962 45723.22722 107510.5563 55618.58458 52251.56099 95265.1013 60531.81152 23934.90149 PC 38:5; [M+Na]+@6.46 35878.64665 25819.4206 30159.86849 32250.68079 23713.74159 42815.64193 30451.64901 26692.81991 30373.00187 32998.99599 28886.34242 34205.81904 PC 40:10; [M+H]+@5.56 16490.32243 16229.14325 24086.44568 10993.17806 16122.237 26941.18983 12968.88895 16103.1399 22127.01038 24431.70549 31320.69689 19958.66628 PC 40:7; [M+H]+@6.97 85161.77644 50917.0079 76145.59347 56794.98989 54675.6675 83750.42573 58902.18337 65798.05977 60229.54444 62951.03728 55063.82803 52591.86449 PC 40:8; [M+Na]+@5.82 11342.39103 11382.93623 9149.243348 11366.14837 5887.691196 9024.251598 14139.40214 12842.50178 1385.061366 9180.245517 10162.08151 12453.38969 PC 40:9; [M+Na]+@5.44 12782.99984 9080.199044 16760.71547 6693.766018 9156.888108 12387.74864 13081.67117 7631.438732 5122.094864 4341.575159 6485.437898 18195.19913 PC 42:11; [M+H]+@5.82 11566.42235 10968.22882 4950.143166 7292.514993 9528.276733 15434.76226 9642.035284 19854.4324 11868.5689 9723.56117 6464.944243 10864.8667 PC 42:7; [M+H]+@6.71 85388.82875 65635.23963 65835.12636 69491.9515 45987.32299 71907.00453 50070.9638 45626.61195 48086.57833 56156.87559 45467.89811 58230.06521 PC 48:6; [M+Na]+@8.55 17643.14996 13737.44419 12578.14838 17077.68912 15363.16886 8714.082687 16137.04621 15326.7209 15923.42926 13447.9984 14994.35233 14701.35967 PC 50:6; [M+Na]+@9.07 49401.58267 46559.15246 26863.14138 52754.75294 34285.70647 39161.02174 28293.41979 38613.14318 26088.91192 24137.11686 25095.39829 47693.93272 PE 21:4; [M+H]+@1.46 13252.60266 8361.65585 12800.48243 10494.53611 9288.364545 11980.41699 13221.98515 20790.03972 10862.43278 11140.82648 13212.19613 9604.644993 PE 32:1; [M+H]+@6.25 16490.10097 22748.08274 30029.13979 16456.46555 15007.56095 41476.17889 13691.30086 30922.55183 34812.31818 23812.09826 21914.67785 22329.02042 PE 34:1; [M+H]+@6.85 250232.6913 216438.8786 275910.4053 262661.4829 193109.8482 306838.6117 250251.4547 296390.2728 273861.043 263795.8448 291053.3566 254319.0243 PE 34:2; [M+H]+@6.43 152649.1158 237245.2062 178310.2057 155817.1432 155232.7037 231135.2565 125091.1738 150592.9192 161453.3929 193880.1862 225803.1559 217494.8603 PE 35:1; [M+H]+@7.17 39907.24966 39119.893 24273.73165 47589.09185 42156.17039 39829.0913 53957.65531 27038.63685 40777.03717 36864.44677 16546.09169 34613.42506 PE 36:0; [M+H]+@7.91 24395.1619 13381.40481 18636.41732 13408.51478 13697.53879 18452.01404 19629.37295 20594.6669 2575.239618 13939.26441 10778.10437 20061.1294 PE 36:1; [M+H]+@7.46 611999.6399 503579.8626 422420.2974 472743.1321 524441.1591 576716.1136 528419.7239 457956.5881 562925.9034 481728.2114 534300.8898 580341.2638 PE 36:2; [M+H]+@6.99 150041.6339 169960.9414 149971.3356 143804.6201 110007.6591 164878.8778 141236.8448 155561.8334 124158.3252 145638.9576 182670.1464 154176.5077 PE 36:4; [M+H]+@6.34 926905.7042 758868.0575 701857.608 821693.7233 939278.5734 1007556.691 1019867.958 947983.7233 1026972.735 923202.0184 776230.2033 960991.2683 PE 37:6; [M+H]+@6.02 20169.70708 22036.27816 5942.333576 22143.79539 15446.61911 18079.55846 18207.4354 21099.35518 27582.55341 11957.88369 17366.05062 22313.69611 PE 38:4; [M+H]+@7.03 3571991.172 3383395.903 3087642.734 3465368.878 3674681.223 4446003.273 4290903.765 4277342.351 3998290.129 4080501.398 3860217.128 4429816.255 PE 38:5; [M+H]+@6.52 1800198.435 1223402.667 1188705.732 1256012.382 1298614.929 1368882.526 1183935.621 1112558.285 1170844.809 1133276.926 937949.7872 1235712.463 PE 38:6; [M+H]+@6.26 14012731.13 9547239.462 6028233.369 7467177.708 9651084.867 8954254.936 7716777.765 7919601.269 6303563.805 6497993.623 6636531.246 10790705.83 PE 38:7; [M+H]+@5.63 122182.7364 155314.6822 77603.68565 131939.8811 124100.4091 123691.9093 112572.6974 72365.3479 155543.3821 121635.3426 85341.9262 150263.7511 PE 40:6; [M+H]+@6.87 18031796.56 10399047.04 9434360.448 9911825.64 11646288.19 11297295.16 10124420.23 12672324.82 9158929.937 9116559.391 9434516.262 12293100.6 PE 40:7; [M+H]+@6.40 3152266.631 2309757.336 1412296.26 1694485.802 1981576.386 1804782.405 1642476.132 1395468.456 1253609.122 1245499.731 1268934.851 2197924.566 PE 40:8; [M+H]+@5.96 474798.0865 699947.9878 332018.7338 365351.6303 394706.4876 546934.2423 261221.4919 246827.4241 218415.013 216717.761 354501.7896 606263.1933 PE 42:6; [M+H]+@7.49 63091.01229 83438.83543 48259.79709 47787.36549 67543.53085 82066.66804 24362.91449 99485.9593 64815.25701 41981.92858 47359.33647 51290.43325 PE 42:8; [M+H]+@6.55 274196.208 367776.2064 121585.8901 139234.2639 189909.8945 196101.2804 113416.7436 107435.9265 102080.4485 131137.6819 164610.1032 277889.7906 PS 40:5; [M+Na]+@6.07 33448.62899 22806.1609 20599.23118 22333.8282 21171.36675 31213.45691 27870.8366 21981.29641 31807.98091 29278.75197 32577.50451 57798.3079 SM 30:1; [M]+@4.42 4065.594591 3330.527075 6022.092167 8802.32865 3968.838819 4190.799916 3864.061442 3573.757676 6698.934186 3678.461276 3057.893931 4035.601255 SM 33:1; [M+Na]+@5.55 12512.19309 7411.701108 18241.95999 14790.41738 12594.02424 20350.30865 19379.18489 16132.51018 23116.18127 18229.15453 16047.14132 11370.31427 SM 34:1; [M]+@5.86 12857301.57 13766158.7 13118693.47 13267670.42 12425952.26 17403456.05 13864593.2 14829849.01 14477127.25 13795677.69 12494963.03 13397704.99 SM 34:2; [M+Na]+@5.44 666662.1954 608159.6276 247844.5744 300878.7428 397029.0373 318716.0938 313040.3389 299332.5614 253233.2223 279086.6317 311338.0662 369681.4102 SM 35:2; [M]+@5.76 10951.35203 13258.07355 9920.653117 11248.54244 15903.45769 7429.955785 8771.751673 8707.394373 8304.676889 7723.893696 14064.23698 12875.83511 SM 36:1; [M]+@6.55 3498526.421 3930450.676 3142406.805 3398552.507 4404859.921 5128335.145 4342449.805 3644599.156 4692729.318 4458127.825 3495747.621 4183528.745 SM 36:2; [M]+@6.01 1125284.556 1032961.222 1295060.98 1010748.167 987572.8898 1466503.809 1270883.908 1371087.959 1192262.183 1093134.12 738138.4845 826841.9552 SM 37:1; [M]+@6.90 41228.82362 17604.88185 21765.40826 40389.66762 41665.37125 43735.28591 10759.69069 41252.28688 45812.68031 20598.62683 22427.47864 29714.8209 SM 37:2; [M]+@6.44 14095.20113 15706.04518 16697.29209 8962.62855 8206.476374 10916.01902 9539.040945 5042.485379 4212.997209 7005.25588 5771.493148 10436.11677 SM 38:1; [M]+@7.17 774527.9273 535982.8571 578823.0877 609567.8956 639784.2423 710498.7706 697659.6982 673143.4986 623032.8429 621726.1263 581013.1713 654855.9587 SM 40:1; [M+Na]+@7.86 119945.5321 47795.0932 63178.00757 59522.20783 51596.37927 68898.45018 66460.5644 85620.17007 66906.54795 69143.61028 55745.07807 64904.46153 SM 40:2; [M]+@7.27 103852.4325 74006.35756 58838.95539 69753.18503 60376.32985 74855.05523 69471.77445 73841.57717 81658.38478 88724.32858 64606.71869 82187.16353 SM 41:1; [M]+@8.08 14191.75585 11184.3468 8113.681788 12156.07784 11922.35983 11126.29093 12209.11683 10500.7414 10702.83745 32515.32659 11857.88599 11878.4228 SM 41:2; [M]+@7.72 11880.35806 15584.32558 6779.864353 5076.21884 8469.290182 12323.467 5784.261889 9355.408024 7301.165869 14142.62686 10936.52417 15065.85513 SM 42:1; [M+Na]+@8.33 63053.66355 52000.78561 44089.0789 68148.58237 52648.51106 67257.88242 69589.95629 64942.1678 66029.98888 93845.06798 54179.01297 70001.07098 SM 42:2; [M+Na]+@7.85 98309.53081 62083.76763 83434.65334 56873.89015 65076.80898 80705.32212 64058.00744 87415.47799 74891.5599 81257.87497 71547.21893 72963.28141 SM 42:4; [M]+@6.95 4743.01492 4209.629376 8150.077835 6465.33959 2927.234875 12354.17728 6091.660798 6294.326428 3353.19065 1825.582386 2293.312289 3035.717878 SM 44:2; [M+Na]+@8.32 3118.607393 1990.151156 2308.680668 3538.1355 2582.945541 3923.879002 4896.130375 3238.90298 2399.774773 3617.365156 1803.524786 3225.863871 TG 40:0; [M+NH4]+@9.47 3425.921875 5240.600406 2684.233966 2312.033295 2425.622493 3720.676016 1850.251472 2246.742792 1163.13142 3723.943509 3634.834141 3263.747138 TG 46:0; [M+NH4]+@10.35 9086.128325 13672.53666 5573.78523 8120.829992 8708.605996 7158.042798 6365.886394 8878.210331 5949.812408 6021.179567 6847.812213 5663.360043 TG 46:1; [M+NH4]+@10.12 4242.365219 26348.43694 3981.876427 5802.96812 4636.448474 2594.447137 4686.054481 5402.797335 4242.497793 3547.893796 4369.423376 4305.309395 TG 48:0; [M+NH4]+@10.57 19255.28688 35927.14232 13863.14054 16483.49945 11273.62344 14932.58193 22685.22937 12802.96908 18414.43537 22277.88734 17216.98318 24586.5848 TG 48:1; [M+NH4]+@10.36 17329.99136 75596.9497 13254.18378 15565.59053 17420.96381 16036.34803 18786.06923 20953.827 15119.52798 14181.06569 14711.85775 11694.65441 TG 48:2; [M+NH4]+@10.14 4799.889018 110375.2261 4427.825639 8169.684032 8643.659081 7903.155485 9440.642224 12016.91723 5760.038808 7877.153357 5267.298729 4836.649902 TG 48:3; [M+NH4]+@9.89 2498.606739 54348.44092 1865.079249 3105.397178 3625.086948 2458.851024 3572.472485 6163.810029 3143.302192 2808.960084 1063.475235 809.4617412 TG 49:1; [M+NH4]+@10.45 2606.485033 6027.594939 550.8338123 2894.015251 1264.373841 1519.631643 981.1385221 3997.708243 2282.526958 2412.890066 1875.886666 1436.755175 TG 50:0; [M+NH4]+@10.79 22695.50599 13959.61191 16931.73346 21872.00915 15501.91319 15932.20384 26882.34775 19905.0591 16646.70505 13660.33015 15631.9594 16950.26823 TG 50:1; [M+NH4]+@10.57 44039.0702 145830.4892 44098.33792 39397.34544 46293.80231 46212.0623 59239.26661 51378.41115 55527.34333 55311.24496 59127.61019 56759.87777 TG 50:2; [M+NH4]+@10.37 16417.12361 322003.664 19227.92457 24649.93634 32856.93375 26500.11533 37670.86953 38582.6697 25850.3591 28418.44779 25836.4968 19206.97308 TG 50:3; [M+NH4]+@10.16 10006.87888 443968.4609 6588.498062 8432.70104 17253.55841 18435.34777 10760.03989 25192.62796 13002.61421 15645.17544 7946.395725 5615.135779 TG 50:4; [M+NH4]+@9.95 2415.997851 93949.89955 1609.906205 3219.608491 3849.46495 2515.604076 5594.126893 12518.17723 4471.438509 5483.76233 2323.015464 981.4048018 TG 52:0; [M+NH4]+@11.01 5069.010782 9004.703316 8263.641997 15330.33596 9405.220429 8935.079141 13924.91503 11694.90405 10905.0738 9987.9915 5047.782246 10884.25068 TG 52:1; [M+NH4]+@10.79 34008.18134 69697.23284 38435.39997 32539.57445 44707.75067 42932.31839 42548.2351 43003.24637 46219.98061 47095.00684 48543.77582 54977.52219 TG 52:2; [M+NH4]+@10.60 46261.54268 359106.3111 35785.95644 31437.70325 45277.66399 61822.88427 34708.20423 41227.08125 41858.28849 48036.09071 54880.28073 44367.24921 TG 52:3; [M+NH4]+@10.40 18686.36099 349831.2255 24349.72603 26840.68382 28074.92767 30048.39994 28587.67858 46240.31836 25476.49039 28368.35838 18010.07945 14555.54087 TG 52:4; [M+NH4]+@10.21 14284.08997 384644.4982 18994.35775 26363.00104 33203.69339 35089.27689 30942.72365 44513.79511 28725.63709 32656.49234 16178.51252 23895.39113 TG 52:6; [M+Na]+@9.83 6794.95315 33618.95093 5772.091694 7567.065768 8489.19918 14150.72563 5566.684804 7508.41144 6473.113808 6084.564505 10166.9724 11596.65039 TG 53:0; [M+NH4]+@11.15 9077.655677 9283.694332 6940.095015 10037.85213 5670.892903 10267.93959 8442.644101 10270.50063 6456.583469 6729.653606 11221.61659 7528.852617 TG 54:1; [M+NH4]+@11.05 4700.50366 11076.50429 4386.839464 5632.326247 7819.596651 12784.43662 5364.875916 4472.971037 5049.518784 7488.708561 10082.28733 9247.05439 TG 54:3; [M+NH4]+@10.66 20562.98941 207477.8192 21185.55582 15662.36986 24682.37759 37780.34173 13975.0236 22160.1607 20542.79975 26348.50837 22343.31631 18481.21555 TG 54:4; [M+NH4]+@10.45 20593.22311 209787.4172 23235.57152 25531.55899 35831.0183 36683.14256 31168.70646 28089.31322 26719.90294 32227.12355 18905.84667 29878.54613 TG 54:5; [M+NH4]+@10.36 29956.09001 207356.2606 32676.92417 30913.03621 31267.04156 43475.75826 34560.37847 42836.28067 26175.8299 32655.83138 24614.36882 29065.52884 TG 54:6; [M+NH4]+@10.22 72698.91456 178960.5241 60341.07555 94862.51295 93454.16771 97395.43599 83082.44322 82820.08035 74125.60395 76160.6438 62454.12433 91427.92945 TG 54:7; [M+NH4]+@10.04 6370.944855 40436.89494 9515.083251 11623.33819 9421.794701 15622.43578 8030.36923 8585.575227 7790.672318 11147.98902 6262.286773 11100.7867 TG 56:4; [M+NH4]+@10.82 13013.38177 33333.80142 8713.496656 8112.021664 13815.43179 19852.82818 8589.575763 9772.633415 11656.50403 11049.77631 14679.43304 18190.09881 TG 56:6; [M+NH4]+@10.54 46480.23265 76154.03964 43875.80634 46695.98102 47386.37317 61872.60329 47300.70891 47059.71013 39792.09409 45254.42568 45035.342 59516.95893 TG 56:7; [M+NH4]+@10.27 45273.32622 73211.5448 40279.98629 44399.99632 42027.70139 52362.56352 40020.64009 40813.28371 37276.32692 36084.4482 34439.98427 46985.87302 TG 56:8; [M+NH4]+@10.09 8551.498963 32473.51724 8531.240492 10205.29703 11884.23568 12909.45812 8801.185546 10469.84289 5833.13649 9341.95912 7767.6728 12333.18168 TG 58:10; [M+NH4]+@10.10 15305.74084 20621.32413 8255.497297 8599.73178 11384.53656 12885.0763 7129.981311 11213.91724 6454.567097 6938.226504 6815.091851 15438.0861 TG 58:6; [M+NH4]+@10.77 6812.257897 12635.90169 7423.950329 5990.684204 11111.72961 8102.992845 8493.973039 10593.10443 8582.09612 9778.731562 8231.30343 5851.527762 TG 58:7; [M+NH4]+@10.52 12150.45257 20303.14968 8830.229642 11098.55956 12641.31557 17107.87441 12613.5918 11342.38592 11877.97952 9044.26677 11055.18757 10569.83365 TG 58:8; [M+NH4]+@10.37 8628.74217 27518.92786 9951.520227 7394.372553 11692.91592 14622.07884 7429.10889 9951.234379 8199.173111 8771.900653 12697.01495 14093.40701 TG 58:9; [M+NH4]+@10.18 12068.98923 16948.97861 6697.959618 9037.198794 7874.481325 8532.487898 6384.285585 6227.055773 7337.779475 7637.251597 6917.945082 12534.3007 TG 60:10; [M+NH4]+@10.30 12249.34059 15472.89906 11788.56678 10011.18813 15620.93389 16111.82974 11110.0332 12859.58338 9813.090403 13577.41209 10529.5799 20653.35182 TG 60:12; [M+NH4]+@9.99 67155.97565 96416.03564 31893.43439 60909.88387 56029.39186 48398.23338 42294.28048 47622.28619 25942.20035 29459.72788 31181.99605 57552.19561 TG 62:12; [M+NH4]+@10.21 16580.49479 24689.88994 12320.96829 17005.96652 16424.88739 12457.84215 13038.84006 18918.23458 11742.94917 10215.23979 11339.04818 17229.33816 TG 62:14; [M+NH4]+@9.83 1693.521043 2274.763905 983.5940812 2146.878984 2432.402492 3900.49891 580.6209156 1637.131377 751.9654645 2256.637942 1739.146395 2829.653314 TG 66:18; [M+NH4]+@9.69 18392.61411 21827.22237 5062.424294 15450.5514 16835.69437 12125.71775 7577.167433 7298.617387 5164.59455 7363.383046 6097.565492 16919.18116 lysoPC 16:0; [M+H]+@1.80 346460.0839 506225.4906 354272.4492 555407.1283 601614.0186 674959.7284 848176.6841 554690.3099 837247.21 946091.1018 1000657.009 1479867.709 lysoPC 19:0; [M+H]+@2.95 64604.34324 23883.51245 34667.08032 16626.79905 31681.96436 29782.9263 39096.81913 25707.80044 30428.45281 23696.85771 41344.43158 44056.21449 lysoPC 20:3; [M+Na]+@1.47 207046.5506 258947.166 147411.0902 257428.0691 204491.985 336423.3477 317022.979 244714.5169 320147.3019 340755.7138 302125.813 817705.0527 lysoPC 22:6; [M+H]+@1.42 212319.5627 264957.5024 152055.6969 275015.0235 214545.6597 353347.1729 311459.7145 224624.8107 328776.3671 365907.4415 284825.9966 811165.1423 lysoPE 16:0; [M+H]+@1.69 22686.38009 26636.16779 18641.23156 21565.10164 24981.46399 27506.46118 24251.25348 25288.74755 25404.06877 30205.86355 31409.87343 53550.21037 lysoPE 18:0; [M+H]+@2.48 89113.82834 94998.50289 69809.84239 92119.9748 84028.08533 109651.121 100030.8463 98577.17636 90021.39206 102138.7964 116535.7855 173791.8168 lysoPE 18:1; [M+H]+@1.84 13043.49566 17537.05544 9608.136774 10812.98428 11133.38035 21423.27891 12356.87866 11818.88486 18800.33526 22604.18903 22480.08032 31318.13915 lysoPE 20:4; [M+H]+@1.37 33892.81516 32241.63873 30117.45004 41661.79503 23763.43987 26353.98226 43718.97483 53952.2523 35596.13286 38833.73613 34654.88961 57937.74353 lysoPE 22:6; [M+H]+@1.29 151918.5384 149443.3093 96138.12798 172780.7423 142117.8929 183474.7105 175275.1205 155711.7921 192301.492 198299.1878 199767.3929 416239.1069 plasmenyl-PC 18:0; [M+Na]+@1.66 16008.89252 15402.55385 15214.3024 19529.5754 19413.21029 35662.94244 30797.16562 29389.95811 33989.86679 39087.45979 33691.31401 75387.44068 plasmenyl-PC 32:0; [M+Na]+@7.03 32928.25873 16188.66902 26784.00614 12162.48969 17098.0015 31207.11738 12942.28459 15895.92924 20004.05973 20844.32654 20793.95845 24817.7881 plasmenyl-PC 34:1; [M+Na]+@7.17 83151.15531 40669.04866 57718.58526 27594.58326 58180.56808 56106.48443 62138.56131 46554.73885 39451.58857 29492.88268 37226.45234 50157.31378 plasmenyl-PE 32:1; [M+H]+@6.62 18645.21568 4818.193355 13799.91359 9357.844998 5556.765881 9313.007737 10705.13573 13008.18999 17780.14506 17637.98801 18682.95246 14284.51267 plasmenyl-PE 36:0; [M+H]+@8.22 5948.357314 12716.59616 7148.27147 7305.50495 14871.92531 11134.18127 3361.823309 3857.040587 7018.492753 18929.97124 18382.6856 8730.16383 plasmenyl-PE 36:1; [M+H]+@7.75 69215.55648 86876.67989 69513.05246 72980.70175 62466.53046 95078.67502 78009.67475 74311.99147 79767.58245 119088.1594 90873.09771 83191.48298 plasmenyl-PE 36:3; [M+H]+@6.94 255016.0918 318437.1267 207354.0906 199862.3631 183708.6049 268873.8503 123477.4525 160794.278 252428.9616 219080.6248 273462.077 262553.0354 plasmenyl-PE 36:4; [M+H]+@6.69 938207.8352 595767.3953 863798.4196 789272.8413 739049.876 1001661.769 780633.1122 817003.5927 930692.6801 876404.4625 835977.9176 801133.73 plasmenyl-PE 36:5; [M+H]+@6.32 247757.2047 254649.3819 178685.7748 317350.7871 240894.9759 246708.708 248310.617 196581.3971 396368.9103 312752.9574 237810.8907 213061.0223 plasmenyl-PE 38:1; [M+H]+@8.25 11980.56462 18658.1536 12889.83878 16585.51822 18653.2676 20007.07615 22149.25792 29007.88023 25504.81558 58348.4067 19457.82849 20122.15229 plasmenyl-PE 38:4; [M+H]+@7.24 1696637.645 1271478.005 1366426.39 1315512.678 1403158.068 2122760.989 1883942.643 1992197.829 1684609.594 1507660.702 1495926.728 1652792.91 plasmenyl-PE 38:5; [M+H]+@7.02 970197.2898 1024491.958 893310.7185 717030.8258 811538.9998 1203921.263 576112.3063 734185.3586 808977.3711 834403.1486 1028605.264 936511.3164 plasmenyl-PE 38:6; [M+H]+@6.58 2546587.848 1299755.582 1606698.089 1464694.826 1529008.441 1719395.291 1750158.972 1868347.803 1501984.326 1418121.819 1397293.547 1773612.92 plasmenyl-PE 40:5; [M+H]+@7.34 959316.6106 1351882.308 930650.2675 901398.8988 1073693.76 1418390.14 684889.1427 764708.3409 941531.5855 936621.7993 1268947.803 1162089.882 plasmenyl-PE 40:6; [M+H]+@7.20 2406735.421 2831659.863 2456624.552 3202150.364 3393585.235 3669055.289 3581772.333 2613968.482 3748070.071 3356554.155 3113481.284 3310076.274 plasmenyl-PE 42:6; [M+H]+@7.79 82842.33998 103109.6312 71812.06263 95756.41044 103546.8142 145463.3314 90426.11264 76431.72215 129356.3639 101312.8981 102302.9358 109306.8697 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 DG 32:0; [M+NH4]+@7.89 7.89 DG(32:0) LipidMaps Bulk ID DG 34:0; [M+NH4]+@8.41 8.41 DG(34:0) LipidMaps Bulk ID DG 36:0; [M+NH4]+@8.88 8.88 DG(36:0) LipidMaps Bulk ID DG 36:1; [M+NH4]+@8.47 8.47 DG(36:1) LipidMaps Bulk ID DG 36:2; [M+NH4]+@8.09 8.09 DG(36:2) LipidMaps Bulk ID DG 36:3; [M+NH4]+@7.79 7.79 DG(36:3) LipidMaps Bulk ID DG 36:4; [M+NH4]+@7.57 7.57 DG(36:4) LipidMaps Bulk ID DG 37:4; [M+NH4]+@7.84 7.84 DG(37:4) LipidMaps Bulk ID DG 38:3; [M+NH4]+@8.31 8.31 DG(38:3) LipidMaps Bulk ID DG 38:4; [M+NH4]+@8.02 8.02 DG(38:4) LipidMaps Bulk ID DG 38:5; [M+NH4]+@7.67 7.67 DG(38:5) LipidMaps Bulk ID DG 38:6; [M+NH4]+@7.47 7.47 DG(38:6) LipidMaps Bulk ID DG 40:6; [M+NH4]+@7.97 7.97 DG(40:6) LipidMaps Bulk ID DG 40:7; [M+NH4]+@7.54 7.54 DG(40:7) LipidMaps Bulk ID DG 42:10; [M+NH4]+@7.07 7.07 DG(42:10) LipidMaps Bulk ID DG 44:12; [M+NH4]+@6.99 6.99 9543971 LMGL02010306 LipidMaps MG 17:0; [M+Li]+@3.16 3.16 107036 LMGL01010002 LipidMaps PA 42:9; [M+Na]+@4.71 4.71 PA(42:9) LipidMaps Bulk ID PC 18:0; [M+Na]+@1.93 1.93 PC(18:0) LipidMaps Bulk ID PC 32:0; [M+H]+@6.61 6.61 PC(32:0) LipidMaps Bulk ID PC 34:3; [M+H]+@6.62 6.62 PC(34:3) LipidMaps Bulk ID PC 34:4; [M+H]+@6.14 6.14 PC(34:4) LipidMaps Bulk ID PC 38:4; [M+H]+@8.51 8.51 PC(38:4) LipidMaps Bulk ID PC 38:5; [M+Na]+@6.46 6.46 PC(38:5) LipidMaps Bulk ID PC 40:10; [M+H]+@5.56 5.56 PC(40:10) LipidMaps Bulk ID PC 40:7; [M+H]+@6.97 6.97 PC(40:7) LipidMaps Bulk ID PC 40:8; [M+Na]+@5.82 5.82 PC(40:8) LipidMaps Bulk ID PC 40:9; [M+Na]+@5.44 5.44 PC(40:9) LipidMaps Bulk ID PC 42:11; [M+H]+@5.82 5.82 PC(42:11) LipidMaps Bulk ID PC 42:7; [M+H]+@6.71 6.71 PC(42:7) LipidMaps Bulk ID PC 48:6; [M+Na]+@8.55 8.55 PC 48:6 LipidBLAST PC 50:6; [M+Na]+@9.07 9.07 PC 50:6 LipidBLAST PE 21:4; [M+H]+@1.46 1.46 PE 21:4 LipidBLAST PE 32:1; [M+H]+@6.25 6.25 PE(32:1) LipidMaps Bulk ID PE 34:1; [M+H]+@6.85 6.85 PE(34:1) LipidMaps Bulk ID PE 34:2; [M+H]+@6.43 6.43 PE(34:2) LipidMaps Bulk ID PE 35:1; [M+H]+@7.17 7.17 PE(35:1) LipidMaps Bulk ID PE 36:0; [M+H]+@7.91 7.91 PE(36:0) LipidMaps Bulk ID PE 36:1; [M+H]+@7.46 7.46 PE(36:1) LipidMaps Bulk ID PE 36:2; [M+H]+@6.99 6.99 PE(36:2) LipidMaps Bulk ID PE 36:4; [M+H]+@6.34 6.34 PE(36:4) LipidMaps Bulk ID PE 37:6; [M+H]+@6.02 6.02 PE(37:6) LipidMaps Bulk ID PE 38:4; [M+H]+@7.03 7.03 PE(38:4) LipidMaps Bulk ID PE 38:5; [M+H]+@6.52 6.52 PE(38:5) LipidMaps Bulk ID PE 38:6; [M+H]+@6.26 6.26 PE(38:6) LipidMaps Bulk ID PE 38:7; [M+H]+@5.63 5.63 PE(38:7) LipidMaps Bulk ID PE 40:6; [M+H]+@6.87 6.87 PE(40:6) LipidMaps Bulk ID PE 40:7; [M+H]+@6.40 6.4 PE(40:7) LipidMaps Bulk ID PE 40:8; [M+H]+@5.96 5.96 PE(40:8) LipidMaps Bulk ID PE 42:6; [M+H]+@7.49 7.49 PE(42:6) LipidMaps Bulk ID PE 42:8; [M+H]+@6.55 6.55 PE(42:8) LipidMaps Bulk ID PS 40:5; [M+Na]+@6.07 6.07 PS(40:5) LipidMaps Bulk ID SM 30:1; [M]+@4.42 4.42 SM 30:1 LipidBLAST SM 33:1; [M+Na]+@5.55 5.55 52931139 SM 34:1; [M]+@5.86 5.86 SM 34:1 LipidBLAST SM 34:2; [M+Na]+@5.44 5.44 SM 34:2 LipidBLAST SM 35:2; [M]+@5.76 5.76 SM 35:2 LipidBLAST SM 36:1; [M]+@6.55 6.55 44260139 SM 36:2; [M]+@6.01 6.01 SM 36:2 LipidBLAST SM 37:1; [M]+@6.90 6.9 SM 37:1 LipidBLAST SM 37:2; [M]+@6.44 6.44 SM 37:2 LipidBLAST SM 38:1; [M]+@7.17 7.17 SM 38:1 LipidBLAST SM 40:1; [M+Na]+@7.86 7.86 SM 40:1 LipidBLAST SM 40:2; [M]+@7.27 7.27 SM 40:2 LipidBLAST SM 41:1; [M]+@8.08 8.08 SM 41:1 LipidBLAST SM 41:2; [M]+@7.72 7.72 SM 41:2 LipidBLAST SM 42:1; [M+Na]+@8.33 8.33 44260133 SM 42:2; [M+Na]+@7.85 7.85 SM 42:2 LipidBLAST SM 42:4; [M]+@6.95 6.95 SM 42:4 LipidBLAST SM 44:2; [M+Na]+@8.32 8.32 SM 44:2 LipidBLAST TG 40:0; [M+NH4]+@9.47 9.47 TG(40:0) LipidMaps Bulk ID TG 46:0; [M+NH4]+@10.35 10.35 TG(46:0) LipidMaps Bulk ID TG 46:1; [M+NH4]+@10.12 10.12 TG(46:1) LipidMaps Bulk ID TG 48:0; [M+NH4]+@10.57 10.57 TG(48:0) LipidMaps Bulk ID TG 48:1; [M+NH4]+@10.36 10.36 TG(48:1) LipidMaps Bulk ID TG 48:2; [M+NH4]+@10.14 10.14 TG(48:2) LipidMaps Bulk ID TG 48:3; [M+NH4]+@9.89 9.89 TG(48:3) LipidMaps Bulk ID TG 49:1; [M+NH4]+@10.45 10.45 TG(49:1) LipidMaps Bulk ID TG 50:0; [M+NH4]+@10.79 10.79 TG(50:0) LipidMaps Bulk ID TG 50:1; [M+NH4]+@10.57 10.57 TG(50:1) LipidMaps Bulk ID TG 50:2; [M+NH4]+@10.37 10.37 TG(50:2) LipidMaps Bulk ID TG 50:3; [M+NH4]+@10.16 10.16 TG(50:3) LipidMaps Bulk ID TG 50:4; [M+NH4]+@9.95 9.95 TG(50:4) LipidMaps Bulk ID TG 52:0; [M+NH4]+@11.01 11.01 TG(52:0) LipidMaps Bulk ID TG 52:1; [M+NH4]+@10.79 10.79 TG(52:1) LipidMaps Bulk ID TG 52:2; [M+NH4]+@10.60 10.6 TG(52:2) LipidMaps Bulk ID TG 52:3; [M+NH4]+@10.40 10.4 TG(52:3) LipidMaps Bulk ID TG 52:4; [M+NH4]+@10.21 10.21 TG(52:4) LipidMaps Bulk ID TG 52:6; [M+Na]+@9.83 9.83 TG(52:6) LipidMaps Bulk ID TG 53:0; [M+NH4]+@11.15 11.15 TG(53:0) LipidMaps Bulk ID TG 54:1; [M+NH4]+@11.05 11.05 TG(54:1) LipidMaps Bulk ID TG 54:3; [M+NH4]+@10.66 10.66 TG(54:3) LipidMaps Bulk ID TG 54:4; [M+NH4]+@10.45 10.45 TG(54:4) LipidMaps Bulk ID TG 54:5; [M+NH4]+@10.36 10.36 TG(54:5) LipidMaps Bulk ID TG 54:6; [M+NH4]+@10.22 10.22 TG(54:6) LipidMaps Bulk ID TG 54:7; [M+NH4]+@10.04 10.04 TG(54:7) LipidMaps Bulk ID TG 56:4; [M+NH4]+@10.82 10.82 TG(56:4) LipidMaps Bulk ID TG 56:6; [M+NH4]+@10.54 10.54 TG(56:6) LipidMaps Bulk ID TG 56:7; [M+NH4]+@10.27 10.27 TG(56:7) LipidMaps Bulk ID TG 56:8; [M+NH4]+@10.09 10.09 TG(56:8) LipidMaps Bulk ID TG 58:10; [M+NH4]+@10.10 10.1 TG(58:10) LipidMaps Bulk ID TG 58:6; [M+NH4]+@10.77 10.77 TG(58:6) LipidMaps Bulk ID TG 58:7; [M+NH4]+@10.52 10.52 TG(58:7) LipidMaps Bulk ID TG 58:8; [M+NH4]+@10.37 10.37 TG(58:8) LipidMaps Bulk ID TG 58:9; [M+NH4]+@10.18 10.18 TG(58:9) LipidMaps Bulk ID TG 60:10; [M+NH4]+@10.30 10.3 TG(60:10) LipidMaps Bulk ID TG 60:12; [M+NH4]+@9.99 9.99 TG(60:12) LipidMaps Bulk ID TG 62:12; [M+NH4]+@10.21 10.21 TG(62:12) LipidMaps Bulk ID TG 62:14; [M+NH4]+@9.83 9.83 TG(62:14) LipidMaps Bulk ID TG 66:18; [M+NH4]+@9.69 9.69 9546569 LMGL03012611 LipidMaps lysoPC 16:0; [M+H]+@1.80 1.8 LPC(16:0) LipidMaps Bulk ID lysoPC 19:0; [M+H]+@2.95 2.95 24779472 LMGP01050041 LipidMaps lysoPC 20:3; [M+Na]+@1.47 1.47 LPC(20:3) LipidMaps Bulk ID lysoPC 22:6; [M+H]+@1.42 1.42 10415542 LMGP01050056 LipidMaps lysoPE 16:0; [M+H]+@1.69 1.69 LPE(16:0) LipidMaps Bulk ID lysoPE 18:0; [M+H]+@2.48 2.48 LPE(18:0) LipidMaps Bulk ID lysoPE 18:1; [M+H]+@1.84 1.84 LPE(18:1) LipidMaps Bulk ID lysoPE 20:4; [M+H]+@1.37 1.37 LPE(20:4) LipidMaps Bulk ID lysoPE 22:6; [M+H]+@1.29 1.29 LPE(22:6) LipidMaps Bulk ID plasmenyl-PC 18:0; [M+Na]+@1.66 1.66 PC(P-18:0) LipidMaps Bulk ID plasmenyl-PC 32:0; [M+Na]+@7.03 7.03 PC(P-32:0) LipidMaps Bulk ID plasmenyl-PC 34:1; [M+Na]+@7.17 7.17 PC(P-34:1) LipidMaps Bulk ID plasmenyl-PE 32:1; [M+H]+@6.62 6.62 PE(P-32:1) LipidMaps Bulk ID plasmenyl-PE 36:0; [M+H]+@8.22 8.22 PE(P-36:0) LipidMaps Bulk ID plasmenyl-PE 36:1; [M+H]+@7.75 7.75 PE(P-36:1) LipidMaps Bulk ID plasmenyl-PE 36:3; [M+H]+@6.94 6.94 PE(P-36:3) LipidMaps Bulk ID plasmenyl-PE 36:4; [M+H]+@6.69 6.69 PE(P-36:4) LipidMaps Bulk ID plasmenyl-PE 36:5; [M+H]+@6.32 6.32 PE(P-36:5) LipidMaps Bulk ID plasmenyl-PE 38:1; [M+H]+@8.25 8.25 PE(P-38:1) LipidMaps Bulk ID plasmenyl-PE 38:4; [M+H]+@7.24 7.24 PE(P-38:4) LipidMaps Bulk ID plasmenyl-PE 38:5; [M+H]+@7.02 7.02 PE(P-38:5) LipidMaps Bulk ID plasmenyl-PE 38:6; [M+H]+@6.58 6.58 PE(P-38:6) LipidMaps Bulk ID plasmenyl-PE 40:5; [M+H]+@7.34 7.34 PE(P-40:5) LipidMaps Bulk ID plasmenyl-PE 40:6; [M+H]+@7.20 7.2 PE(P-40:6) LipidMaps Bulk ID plasmenyl-PE 42:6; [M+H]+@7.79 7.79 PE(P-42:6) LipidMaps Bulk ID METABOLITES_END #END