#METABOLOMICS WORKBENCH araskind_20170619_181603 DATATRACK_ID:1047 STUDY_ID:ST000743 ANALYSIS_ID:AN001162 PROJECT_ID:PR000536 VERSION 1 CREATED_ON July 3, 2017, 2:03 pm #PROJECT PR:PROJECT_TITLE Callaghan Bariatric plasma baseline PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Obesity study with intervention PR:INSTITUTE University of Michigan PR:DEPARTMENT Neurology PR:LABORATORY Feldman Lab PR:LAST_NAME Feldman PR:FIRST_NAME Eva PR:ADDRESS Ann Arbor, MI PR:EMAIL efeldman@umich.edu PR:PHONE 734-763-7274 #STUDY ST:STUDY_TITLE Metabolomics of bariatric weight loss ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Human patients were enrolled in a bariatric weight loss clinic and followed. ST:STUDY_SUMMARY Patients were male and female, normoglycemic,pre-diabetic and diabetic and with ST:STUDY_SUMMARY and without neuropathy. One 500 ul aliquot will be submitted for both untargeted ST:STUDY_SUMMARY metabolomics and shotgun lipidomics. 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 7 ST:TOTAL_SUBJECTS 3 #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 SU0016133 S00025568 Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016134 S00025569 Gender:male | Glycemic status:pre-diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016135 S00025570 Gender:female | Glycemic status:normoglycemic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025571 Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016134 S00025572 Gender:male | Glycemic status:pre-diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025573 Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025574 Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025575 Gender:male | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025576 Gender:male | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025577 Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025578 Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025579 Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy SUBJECT_SAMPLE_FACTORS SU0016133 S00025580 Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy SUBJECT_SAMPLE_FACTORS SU0016135 S00025581 Gender:female | Glycemic status:normoglycemic | Neuropathy:no neuropathy #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A003 - Untargeted Metabolomics.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 S00025568 S00025569 S00025570 S00025571 S00025572 S00025573 S00025574 S00025575 S00025576 S00025577 S00025578 S00025579 S00025580 S00025581 Factors Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:male | Glycemic status:pre-diabetic | Neuropathy:no neuropathy Gender:female | Glycemic status:normoglycemic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:male | Glycemic status:pre-diabetic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:male | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:male | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy Gender:female | Glycemic status:normoglycemic | Neuropathy:no neuropathy CE(16:0); [M+NH4]+@10.91 39635.90977 54268.87415 24534.71808 294150.1334 36847.41095 51436.47031 33027.27039 40625.89151 38029.1232 38472.39372 32421.74323 66080.64909 30195.85498 43643.31551 CE(16:1); [M+NH4]+@10.62 27234.96237 22838.2303 38575.81498 84633.4394 14929.489 22302.59883 49335.28638 21330.43701 6863.845692 19702.91626 29569.47072 17624.66224 29478.83659 39966.95043 CE(17:1); [M+NH4]+@10.78 6117.276386 10522.75515 6569.903102 40062.48388 5088.2383 3723.005326 5193.882711 9202.117503 4117.715683 6091.639235 6031.130238 5619.034647 9407.657062 7293.179878 CE(18:0); [M+NH4]+@11.27 17073.7145 15353.41709 27383.60966 52411.968 12293.13002 17071.36011 14422.2686 15307.30938 9994.878725 13735.37095 10049.06389 12806.54766 9506.83074 13748.42961 CE(18:1); [M+NH4]+@10.86 487409.4339 503755.0276 632075.8893 2835304.495 661412.5523 462960.6889 513498.1084 455578.4525 304387.84 400931.1037 431638.6747 484695.7465 495100.7904 478924.9311 CE(18:2); [M+NH4]+@10.73 2894054.581 3912894.345 3990673.002 42935270.09 3533047.685 3647694.014 3420976.464 3437953.116 3368793.654 3117216.773 3226545.308 3565108.791 3088860.828 3929653.265 CE(18:3); [M+NH4]+@10.44 314768.8962 525736.4281 212875.2847 410394.0098 372666.0253 326877.4669 406899.295 230090.1949 229859.686 227784.6428 132270.9759 421312.2136 158018.1716 398039.049 CE(20:3); [M+NH4]+@10.71 335593.9404 444270.5355 986811.7826 1940079.658 351488.2604 534763.3378 430836.5529 423948.1625 251442.6673 411994.8583 444671.6843 398866.5132 461871.7296 508943.7024 CE(20:4); [M+NH4]+@10.49 882372.9217 1122120.131 4559433.289 12800242.61 1123336.282 2384849.897 1141959.78 636523.127 796764.5276 1157296.154 1762005.186 1067478.185 1287357.632 925020.3208 CE(20:5); [M+NH4]+@10.33 84614.27886 457140.2106 911428.9746 277498.0534 201864.0596 604052.4106 118758.6389 238600.9503 124724.7988 261670.0144 318604.7784 188085.4933 69824.43756 103016.135 CE(22:4); [M+NH4]+@10.80 8855.058605 14542.98575 37114.5642 23197.42742 10107.04751 22864.16956 12804.89973 10077.29239 9196.772387 12748.58815 14529.94055 8243.42145 13810.51101 10622.08724 CE(22:5); [M+NH4]+@10.64 31631.24701 33326.94423 44240.63519 130014.9032 23302.99508 61110.31254 33251.37959 39673.86554 165047.429 51528.12375 53829.42399 22103.34963 35819.62728 30779.73525 CE(22:6); [M+NH4]+@10.43 152494.3598 236705.519 473758.7128 3112080.942 130371.9177 393370.2523 224178.6581 290173.6109 129253.9642 389652.934 380531.1733 88474.84995 262940.493 120003.8447 DG 30:0; [M+NH4]+@7.34 12064.92177 8569.086213 2175.605804 505974.7308 14162.92033 419.1720648 29743.5633 4294.930664 2908.880261 4772.486717 2687.138815 6096.898422 3054.98277 19496.07422 DG 30:1; [M+NH4]+@6.87 3460.913125 3402.710807 2802.996844 283543.7669 628.3653278 615.7796971 17065.0241 1784.775198 3813.396444 2190.561224 247.942105 5419.272529 5187.649172 14177.7816 DG 30:2; [M+NH4]+@6.42 3257.900652 3587.866164 3221.361045 646479.1925 2495.074548 4479.308235 19914.74203 835.9466234 942.2375175 4272.831385 1235.543686 1135.938153 1462.862758 5767.963632 DG 31:1; [M+NH4]+@7.15 725.4750122 299.9319433 388.235001 563913.4875 3152.58396 3418.029727 5035.470278 2697.685125 342.1219754 2263.571436 488.9801811 943.1560658 285.9337894 1263.952218 DG 32:0; [M+NH4]+@7.88 16696.01803 17486.19058 9381.122574 3568490.556 17414.19517 4028.950508 36132.58997 13910.60869 18276.12499 20909.72311 9059.851524 16411.52813 19343.27059 31912.75114 DG 32:1; [M+NH4]+@7.45 56405.35455 36692.47283 10686.16941 168787.249 39158.33767 8282.545864 117538.5213 22024.31867 21069.04113 24273.18949 8883.752435 38407.05674 31001.59925 99145.96305 DG 32:2; [M+NH4]+@7.01 28733.10518 19866.75338 5098.033369 301276.9327 19944.65888 5158.103209 61078.83348 12078.8588 10632.53931 14966.93574 5376.739804 28054.80263 15762.17912 53004.98197 DG 33:0; [M+NH4]+@8.13 2885.593774 2460.597003 1369.317315 232885.545 5079.712982 2112.123509 8067.085477 1223.490584 1959.20795 2490.580478 3547.906482 4119.378263 1662.146905 3586.913422 DG 33:1; [M+NH4]+@7.67 6850.882411 2851.637938 1143.911034 492876.5499 1620.256836 1268.40957 8030.276001 4084.613699 2342.779672 3925.42579 2549.27948 4077.297036 1619.721296 6810.781831 DG 34:0; [M+NH4]+@8.38 21666.16173 21012.01641 8251.134751 4585497.309 22369.73563 14115.43048 42998.68776 19964.14924 20479.49659 17150.11168 7945.558389 18644.20295 15787.51982 21647.69947 DG 34:2; [M+NH4]+@7.52 383881.3687 148327.2556 83624.91756 562576.0648 240210.9197 64060.31492 343166.1817 164246.909 198528.7626 139039.0938 79182.25709 263731.5427 280787.2678 313116.2732 DG 34:3; [M+NH4]+@7.14 101184.8876 48241.90472 15004.88981 1110535.107 59105.59734 19424.46442 76730.31327 33453.37829 37529.89306 32631.90296 25033.14459 84013.30117 64395.86971 73171.06272 DG 34:4; [M+NH4]+@6.86 15382.83187 6473.977487 2947.461765 346884.0631 5836.107052 6275.19513 15536.12978 4193.666149 69413.85243 8497.845927 600.5296747 5884.109613 4107.402433 12854.17169 DG 34:5; [M+NH4]+@6.39 7618.272367 2743.865327 1408.770846 820167.2155 5267.958009 1088.536924 10658.41966 4412.571474 42145.16665 3509.883432 1568.075427 5239.278533 4591.516873 3453.041623 DG 35:1; [M+NH4]+@8.17 7939.645123 7965.760211 3281.29365 43090.2905 8053.352849 6247.74288 10773.94804 9358.654665 2421.132362 3693.669414 2415.899396 8888.516404 6454.712704 8438.168752 DG 35:2; [M+NH4]+@7.82 13040.32841 2350.310779 3129.322856 73861.31874 10839.80689 1393.130493 10465.45164 9616.520203 4686.081141 3561.263206 3532.688657 14064.67145 5909.601982 7935.983772 DG 35:3; [M+NH4]+@7.40 7704.059223 4141.822553 2350.201607 166374.0098 6223.409894 2179.9941 5432.346654 3785.287999 4355.96725 2449.405774 3466.187653 6180.392469 3203.000691 7116.597103 DG 36:0; [M+NH4]+@8.83 10365.19572 8677.634887 7023.650546 1596041.307 13777.93544 9861.455019 20432.50913 9730.74349 7201.35565 10747.18992 9431.593678 7467.327077 10727.02717 10899.38802 DG 36:1; [M+NH4]+@8.43 67274.59114 47374.9853 29715.08093 854703.1487 60841.70754 33544.79223 104802.4614 45478.03323 44058.10774 35569.59149 18625.00745 62332.85054 37691.40482 48564.50329 DG 36:2; [M+NH4]+@8.06 698428.6844 233632.0751 255277.3596 539628.4888 463379.6774 194814.9528 476866.7366 407834.9537 261295.5013 221231.1753 190444.9804 422983.6949 465823.6545 410734.5253 DG 36:3; [M+NH4]+@7.64 574658.9233 164337.8692 119350.4565 935899.6754 416012.3617 105723.0209 350818.4981 258669.448 374171.9664 146561.6129 130508.1365 377384.9303 294596.122 227611.4541 DG 36:4; [M+NH4]+@7.31 308571.9858 125471.9835 66294.04226 1152587.37 270220.3428 96669.76716 204031.9361 116959.5687 454094.6887 117673.581 79537.49981 276009.0636 178281.2249 149902.3478 DG 36:5; [M+NH4]+@6.97 54513.16026 22403.7453 19784.76017 147999.8028 36058.28051 23169.04182 51602.41778 14854.99411 40474.5466 16490.39962 13360.17368 56739.90226 30831.00508 30298.86439 DG 38:1; [M+NH4]+@8.58 3334.048513 5986.336164 4353.090844 68739.572 5192.120632 4117.750787 6939.854391 4566.612487 3437.364354 3301.731578 3062.245762 6516.531558 4736.48622 4854.926157 DG 38:2; [M+NH4]+@8.52 6248.262594 4223.983111 10583.30518 53355.60639 11371.48211 5480.806964 13837.11844 9559.862887 7161.229468 4418.117948 5862.795744 5656.719255 6757.454738 10479.33684 DG 38:4; [M+NH4]+@7.87 34855.14236 10927.37037 14290.99419 115157.3393 24495.32362 31607.28782 32140.65378 15470.40823 21837.89889 18652.19639 9701.201854 24762.73285 22256.5456 18804.23061 DG 38:5; [M+NH4]+@7.57 117327.0517 51865.07255 57128.69344 303870.0788 88859.03868 97510.44375 126002.4795 29395.98665 55913.82658 42582.56314 37090.29191 75826.65943 85419.95655 49952.28385 DG 38:6; [M+NH4]+@7.22 128228.7446 32951.78162 34383.94504 134329.4469 96928.95879 37010.90837 107186.2444 27169.84737 65457.95398 29008.5989 19403.70848 87990.73903 64460.52661 22353.53951 DG 40:0; [M+NH4]+@9.52 1536.129527 2898.473052 4308.850483 38792.14482 1259.720373 1003.790034 1678.805415 1335.753601 291.0797492 158.1938673 129.7775737 1369.173922 484.6848821 2936.902973 DG 40:5; [M+NH4]+@8.04 11532.22249 2223.80791 3095.592638 8711.767715 7250.96526 4387.670492 14810.61467 2602.697114 2502.627924 3128.073701 1228.933925 6334.082483 9346.960326 5119.02494 DG 40:6; [M+NH4]+@7.64 24384.7363 8036.462037 7277.977873 652837.2679 10000.58053 9075.12765 24155.4612 8414.208081 7296.477837 8014.597109 2431.422297 7632.293944 17673.28749 10051.932 DG 40:7; [M+NH4]+@7.49 13564.83479 7609.861087 15488.4989 128886.6989 24943.10713 10935.05323 31645.63063 20923.62748 4546.195443 18107.06721 7703.60544 9421.704796 20096.95111 5974.396699 DG 40:8; [M+NH4]+@7.12 11923.11419 4233.432244 7441.268131 95249.40927 7426.226105 10478.6794 10329.53086 5899.385102 9739.302894 12672.99665 5197.054703 9513.751459 12579.011 2419.549827 MG 17:0; [M+Li]+@3.18 56459.34047 99291.21054 195845.0471 34601.20767 74474.48414 185264.0488 55588.39623 86915.50322 101462.2225 90980.16341 231049.7545 74495.55266 84083.10226 52203.37041 MG 18:0; [M+NH4]+@3.49 4434.155861 4638.937689 4455.121236 3262764.828 8571.148318 6971.073845 4184.904705 2591.665288 4255.643566 6473.919855 6396.930957 4523.151037 5791.104437 6857.779919 MG 18:1; [M+NH4]+@2.95 2359.419584 1374.284944 1692.904884 154399.7199 2602.586704 3389.193564 1471.527928 5748.548184 3944.767754 4003.849001 2192.906044 6250.618444 1903.417285 3820.009156 PC 28:1; [M+H]+@4.65 2841.810096 6103.379793 4001.679653 14921.98428 5343.738652 2482.599881 22050.7657 4047.08358 432.0401397 2534.363461 800.1265738 5621.665542 779.0920029 16962.09891 PC 29:0; [M+H]+@5.61 8118.81048 20744.6636 3700.580499 36849.8938 7664.902052 6161.537732 27488.69538 7769.434651 3191.952691 10464.60452 3937.237046 12552.14206 4361.946684 25500.35413 PC 30:0; [M+Na]+@6.00 56695.64063 69866.85359 29940.55158 180317.9128 33123.29416 40785.74078 77815.265 45622.5438 18755.26139 78952.08622 32993.63463 42422.7596 34574.65093 71075.31308 PC 30:1; [M+H]+@5.47 83331.12504 127440.2644 18255.70953 189489.6169 63199.88167 36480.11486 210073.4982 51602.92044 21406.76545 58720.55769 33609.47034 122002.7034 49067.71746 277963.3255 PC 30:3; [M+H]+@5.27 4266.597862 14350.09229 1985.963878 29701.96449 3236.192363 1570.985877 13381.68772 3522.420934 2068.260326 3650.635151 1005.451915 5021.966403 1472.273578 12123.70157 PC 32:0; [M+H]+@6.58 1939274.324 1933066.556 2996307.15 1242951.883 1602895.438 1842697 2206864.603 1523852.777 938250.7577 1731587.216 1400717.451 1789406.302 1758639.741 2140566.508 PC 32:1; [M+H]+@6.06 3620985.103 2803799.08 1796414.633 1617879.906 1725113.177 1673241.525 4217439.05 1975074.324 784620.87 2033490.398 1815930.534 3128225.293 3075297.217 6508980.644 PC 33:3; [M+H]+@5.51 32265.57514 28373.39958 16945.07249 61817.33898 24281.16062 14042.86801 32059.5919 21468.59824 23191.01023 13915.23401 19939.40177 55275.44793 21227.97412 48678.73128 PC 34:1; [M+H]+@6.65 29420065.21 26921798.92 21592951.5 48068746.49 24495779.76 18846379.71 32666370 26408736.02 18885645.01 18475648.71 24919039.12 25602969.18 27437068.55 34123827.77 PC 34:2; [M+H]+@6.22 34646638.89 42126498.89 42143670.39 64413145.72 40103252.19 32842736.82 40185184.41 44264386.73 39914679.18 29595037.09 37094789.18 47578962.95 35647992.71 42855097.33 PC 34:5; [M+H]+@5.16 15736.65003 31303.75683 14867.9872 26757.64341 19011.6132 10067.90468 45711.26383 12872.48517 13627.4347 18597.86945 1961.405007 41642.77641 11326.56844 26176.16819 PC 35:5; [M+H]+@5.64 57347.04889 70332.5011 34613.26261 328835.8743 49758.87369 29573.21004 46494.73686 75869.08233 48652.60947 48259.46988 80565.0197 36705.98416 56645.35325 40848.54015 PC 36:1; [M+H]+@7.29 6528195.164 6280134.081 3012249.653 1537533.555 5347415.024 5110951.179 8883477.248 5126454.153 2800912.314 3632899.063 2125568.847 5113511.429 2990839.638 6148267.077 PC 36:2; [M+H]+@6.84 33149929.52 33406869.59 26005633.78 11273733.36 29972963.12 29464471.36 31233521.86 31960819.8 27065671.99 22166781.01 18165657.38 36762975.25 19871910.29 34493455.58 PC 36:3; [M+H]+@6.41 29654574.68 26164181.66 23726559.39 10532517.32 25927534.41 23312284.21 28689711.2 23998197.69 16717235.09 18001840.1 14134658.23 28316584.76 20963476.52 28595798.54 PC 36:4; [M+H]+@6.10 14536030.75 17285383.77 22729453.08 165073879.1 14627992.15 18261854.52 28002533.34 12463144.97 19604386.04 19640365.74 20643903.91 22547160.43 22991432.95 14416616.86 PC 36:6; [M+H]+@5.58 105248.902 123767.6089 45877.73768 281696.4968 109864.4158 99172.5914 214686.3473 79295.69042 175706.3968 117774.7758 57293.10435 115438.5419 80209.57259 100629.7944 PC 37:1; [M+H]+@7.62 32034.93455 26822.75988 17806.92591 96673.57565 45457.7865 31224.84568 48419.65743 53316.53427 136105.9701 20908.19416 24255.33457 28430.04726 22586.43384 72250.04126 PC 38:3; [M+H]+@7.07 8912351.566 9952427.24 6361576.566 6088770.508 8267691.601 6141936.012 11677850.72 6956180.179 3485830.809 6591064.783 3697087.064 9771381.078 6140124.149 8952220.505 PC 38:4; [M+H]+@6.85 13970446.01 16029468.75 20442557.83 70735348.7 15246911.14 16486626.14 19040796 8733623.067 10483280.09 16277452.16 13846482.44 12043528.59 16652712.79 12285542.71 PC 38:5; [M+H]+@6.33 8081158.457 9198020.488 8524600.431 22029449.21 8156295.733 7985055.098 10150487.75 5951347.832 4048346.082 6466679.073 6077264.227 7124847.879 6704612.986 6696864.837 PC 38:6; [M+H]+@6.13 14221909.63 10870069.62 20725879.5 6619559.624 10246560.06 10339436.57 14944181.56 13202187.88 6025716.096 15460316.9 9388931.665 8006879.67 9800640.827 6396641.01 PC 38:7; [M+H]+@5.53 291296.2129 288968.3945 324238.5708 2958528.306 290445.7251 184831.8702 416505.0265 208972.3868 139745.1387 228323.0935 185265.8323 334476.2036 227778.9441 265044.3204 PC 38:9; [M+H]+@5.48 17084.17174 13623.49834 9297.252675 4874.55314 23698.94756 9981.782674 40936.84139 7875.576502 5585.558169 17001.00473 10214.66121 15272.28476 11291.36934 15943.6863 PC 39:0; [M+Na]+@8.23 8801.336431 9336.283617 18964.94017 38365.5178 8432.024985 11117.17903 11899.96717 10474.74672 11578.83332 6434.650988 12285.78842 11316.68483 7413.461639 8762.322736 PC 39:3; [M+H]+@7.32 26502.56942 39034.46074 21512.13477 555160.354 38870.68821 34894.59619 39750.72724 32412.73061 24993.47219 28525.49036 17679.9909 40196.22825 15640.02363 40474.84689 PC 39:4; [M+H]+@6.87 88100.4555 76527.06649 126396.8836 60710.38661 96383.4968 71319.27874 96222.90781 66137.3296 49047.61724 60348.81518 73825.20212 92991.1501 64521.94605 72162.43301 PC 39:7; [M+H]+@5.96 20264.70015 13518.17043 21058.48966 91922.63478 15196.46495 7693.221795 16290.15655 15811.88405 11685.50863 20796.61569 16684.96403 17703.09877 15628.26176 6162.362096 PC 39:8; [M+H]+@6.04 14157.22875 14462.81656 3461.669864 169522.4161 17416.21152 6915.654891 6758.182096 11489.78081 105324.8551 10619.72167 14101.86985 10917.52218 8392.381622 8327.668008 PC 40:1; [M+H]+@8.47 7129.86819 6292.676091 7243.988053 87252.00429 5057.280425 511.3788452 8173.329517 7672.314327 9130.2151 4961.60437 5996.69473 9156.145551 4316.50351 7084.771652 PC 40:10; [M+H]+@5.63 27489.22137 39001.91445 19069.40131 73548.12136 22166.20809 13448.72851 38462.06822 18867.07083 13433.77886 24441.5583 11656.24679 32969.83943 17952.21872 17117.70567 PC 40:2; [M+H]+@8.03 16614.89205 12656.78527 17078.18221 133635.017 31535.23045 9510.185776 29710.34359 13928.35898 18438.49696 7500.211981 9740.604777 24440.03536 13136.47564 18222.326 PC 40:7; [M+H]+@6.87 75344.01615 35305.86207 67870.70872 424730.1714 65343.0384 26480.06402 18079.13486 39741.57914 54334.74049 37576.90955 48492.60414 69346.16606 64079.33374 38311.5246 PC 41:5; [M+H]+@7.28 17766.68949 10985.02312 23896.73556 147823.2897 13580.62763 8884.736844 16738.33986 13850.10118 8016.181915 9601.114696 14848.93681 12427.91615 14651.38564 13390.43415 PC 41:6; [M+H]+@6.96 6764.496198 13154.09472 23993.84833 39701.34995 14434.52272 13018.47217 13943.08543 17243.32619 7693.210065 15140.27774 10931.30589 9945.771189 5289.515559 3597.290878 PC 42:1; [M+H]+@9.00 7871.02463 6572.557513 7349.10726 142811.193 5744.780006 4936.555245 11041.84912 4598.521639 5711.851776 2958.575795 3802.839622 9364.493832 3623.027682 6079.326241 PC 42:11; [M+H]+@5.78 9232.370116 5168.389428 8006.707887 19610.06987 13360.50354 3543.547389 20245.42928 6131.927312 5286.101456 5182.470643 1794.58662 4900.705419 4933.263121 5190.08093 PC 42:2; [M+H]+@8.61 10481.57828 9040.395526 7190.860713 23162.3805 11595.71146 10056.66425 17249.77426 6991.347203 68963.64762 7152.539572 7213.118959 13355.46886 7083.740005 13492.7055 PC 42:3; [M+H]+@8.06 6480.695265 7607.601361 5899.555386 128279.2132 6701.825068 6689.123614 14032.60985 6859.258231 6939.832155 5012.263889 9838.819348 12417.32236 6160.534836 11479.60096 PC 42:4; [M+H]+@7.99 17109.29336 16969.82633 8227.924775 58041.39942 13719.00729 18251.0544 19811.212 13353.02126 7960.129071 19381.86009 4665.283728 20279.27752 10572.62682 16645.78329 PC 42:5; [M+H]+@7.57 40553.06238 25834.65528 31266.92095 72298.16076 37604.17614 32696.80855 53624.54104 54888.58025 13696.50849 36050.22518 19128.2698 31700.23948 28754.09779 46055.57234 PC 42:6; [M+H]+@7.15 32414.92593 48397.05976 34940.45279 27404.05507 38569.62324 28827.97768 47248.76227 34155.26741 12540.2926 43479.67288 18310.67642 25714.95234 41152.56072 62924.9281 PC 42:7; [M+H]+@7.50 16363.7111 7335.995139 6139.214326 10810.54544 9913.301372 8571.987854 14141.11456 6386.789274 81089.28961 12937.428 1951.424388 7347.202055 11967.92477 19408.04035 PC 42:8; [M+H]+@6.32 15835.62683 15787.22269 37761.13918 86008.7979 30727.6393 26897.56772 20691.75367 20985.80724 17720.74563 24853.23307 17926.15785 23390.30738 25940.41217 20093.58489 PC 42:9; [M+H]+@5.98 39889.39228 26808.54506 37440.08544 70257.51585 45268.30807 25320.87888 55625.8092 23602.04744 10928.65345 18003.99139 18077.66287 23022.63124 29546.27656 42162.10972 PC 44:4; [M+H]+@8.56 5803.277521 7462.543541 4539.328587 4197.376135 10447.65519 6469.130753 8962.584036 2645.460585 18833.73719 6657.430975 1126.541395 6968.86191 5470.234279 10065.17798 PC 44:5; [M+H]+@8.08 4916.089273 2884.346066 6398.880528 36896.0781 8211.150979 4628.089424 6294.805231 2611.447859 23810.12782 3820.265493 4005.236962 3924.898494 4836.529659 7686.666011 PE 33:0; [M+H]+@7.00 4587.451458 5045.228724 6424.427712 4114.774468 7282.899495 3824.062992 18881.76291 1904.657873 2646.849899 3620.839686 3317.128725 8320.326332 5943.155383 3189.707194 PE 38:4; [M+H]+@7.01 1116061.719 183606.3309 919002.5075 507487.0001 1167373.863 202214.9184 1334741.372 339017.8016 535690.622 538130.627 375109.495 929725.5209 597307.2191 588326.2783 SM 29:1; [M]+@3.96 1042.37079 4067.62448 2156.241978 311824.9533 1619.074481 2843.935078 2343.713046 2054.468086 2468.715002 1115.118731 1298.721132 1866.446881 943.5925275 2688.479899 SM 30:0; [M]+@4.65 6225.552034 4924.223919 3705.611886 133097.4098 7520.715895 1473.724027 19434.21797 4623.176085 2482.670652 4395.744033 3356.660205 6749.860602 1699.90928 13715.84053 SM 30:1; [M+Na]+@4.37 6687.828787 7782.401506 9249.355097 14212.91095 7750.493162 4452.33698 9219.352129 6176.857804 5317.484011 7451.2095 5012.450568 8125.039959 3540.702054 11864.14453 SM 31:1; [M]+@4.75 39073.18681 67687.36592 71048.96401 113983.8909 40925.26088 27668.67452 58162.43598 56693.27056 28493.71945 38486.67343 61792.89605 66366.17502 39908.74002 63013.72902 SM 32:0; [M]+@5.44 40777.37234 77238.65901 256589.1556 11540.58081 89703.53212 130535.552 71276.39487 48790.83647 39512.25511 72057.68333 166511.0289 105075.0782 82547.71035 65576.44008 SM 32:1; [M]+@5.09 1372830.032 1630261.089 2663160.465 2061112.638 1628867.694 1218930.177 1567464.922 1294498.356 889891.493 1531295.671 1717520.444 1848739.043 1352007.245 1958247.862 SM 32:2; [M]+@4.63 132288.0954 156570.4966 324997.6967 26842.63385 115600.026 91173.20666 147358.5675 111414.9032 52678.47396 69196.95158 144975.1797 167852.4371 114183.5862 235764.5785 SM 33:0; [M]+@5.78 49715.2218 53506.36074 76294.71524 595685.6812 31518.27766 34344.37948 40662.77894 52639.31986 34676.54729 47025.50217 52083.51742 58633.75958 41448.8537 54294.36666 SM 33:1; [M]+@5.48 720837.6636 792541.5886 2264125.484 312879.257 833379.3665 622703.8944 915214.1812 682681.7076 434147.6358 667725.0937 1008525.863 915874.0569 778373.6785 746398.4046 SM 33:2; [M]+@4.98 36367.58732 27967.65966 72488.95238 38618.53461 25820.62669 27903.08679 30492.43162 26170.13443 13575.15613 28332.30617 53516.3813 42284.82842 26266.76172 24635.0999 SM 34:0; [M+Na]+@6.02 14709.66233 11544.80421 25592.14684 52330.36581 29293.87432 11974.61277 24903.99663 17495.09125 23731.92574 21182.01044 21141.50986 18060.88347 22037.67371 9216.800684 SM 34:1; [M]+@5.75 9846107.416 10892020.46 17206947.83 15473982.66 10427950.59 11099039.24 11323114.45 10020051.04 8457115.42 10694713.42 10338178.74 11099192.25 10814817.69 11509537.74 SM 34:2; [M]+@5.24 3190677.218 2252685.107 7133914.651 890110.2627 2269342.131 2754013.685 2392124.742 1920740.922 1428529.961 1694736.257 3134000.735 3008534.893 2334511.448 2536178.495 SM 35:0; [M]+@6.46 131006.6813 181589.7163 60237.38769 708569.2117 93536.13848 120292.4408 99538.01147 136225.6151 135006.8138 128009.4528 179672.4344 123968.1951 111261.435 107307.5962 SM 35:2; [M]+@5.55 89949.60244 76146.83722 316604.9645 135313.8395 76923.16731 81785.4924 95370.06114 70745.64203 45211.537 56550.7719 146818.6747 101314.4254 95882.35486 71944.50072 SM 36:1; [M]+@6.43 2686339.883 4400975.015 24934194.6 530916.7542 3822368.742 12259369.61 3030924.866 4007971.394 3654848.48 4503465.053 14596889.05 2699624.707 5588256.883 2935456.438 SM 36:2; [M]+@6.02 3526758.778 2115789.639 11823670.24 540133.4615 2271336.374 4563376.883 2706430.175 2959120.222 1650352.817 2382426.588 4408083.301 2535995.025 3880589.273 2584384.977 SM 37:1; [M]+@6.77 100573.1622 153139.4637 352717.1922 159494.9709 150289.3904 160365.2184 159482.6455 178535.7938 159835.7016 140360.8409 258850.5013 141233.9793 230024.0444 137291.5041 SM 37:2; [M]+@6.39 58920.84698 74177.47026 248548.888 102288.267 55365.10255 97086.69358 53426.95744 86825.40035 52952.53575 39450.06752 105338.4062 43331.72742 80438.26901 46479.06138 SM 38:0; [M]+@5.82 5319.621702 4277.022428 4661.077021 234500.0045 2613.247546 3909.690183 6291.970229 4325.864378 3653.411829 5013.35384 2577.972196 2095.949876 10050.47959 5351.508956 SM 38:1; [M]+@7.13 1938943.897 2087449.532 4392025.306 1596220.719 2262308.948 1929652.265 2304663.007 1891147.947 1433807.207 1795942.145 1693124.119 2319093.062 1466237.016 2406092.238 SM 38:2; [M]+@6.41 549557.3144 593706.5876 1726401.035 404858.9779 581942.1026 831078.2747 601094.2553 543994.2566 426614.3725 368971.8262 799922.5066 563641.6615 574465.4182 521432.1043 SM 38:4; [M]+@5.75 23585.11571 25807.56334 57348.3485 105719.7468 18684.20008 25675.026 25568.61458 29674.35461 12879.03295 19154.7265 24067.08959 14022.06315 33742.75296 11465.34338 SM 39:1; [M]+@7.34 628313.4978 652482.7103 1376265.854 324971.0589 718703.9362 536363.4213 826671.5777 659066.4854 407916.7884 485395.4293 506480.6371 884597.818 472093.7941 645886.5048 SM 39:2; [M]+@6.99 121943.1767 123996.4862 525275.2535 145322.2649 133711.1989 156598.6714 162139.5207 152330.3911 69487.59509 103650.0362 209395.4373 176286.9156 164237.5791 135348.7218 SM 40:1; [M]+@7.68 1930325.802 2005722.783 3246767.156 4085430.669 1815862.703 1500510.227 1929772.161 1631408.185 1380726.622 1321355.816 1195671.263 2121918.074 1005300.963 1901215.838 SM 40:2; [M]+@7.20 3666706.056 3093263.462 6798629.114 870573.5986 3045741.059 3919582.44 2566164.867 3021453.858 2026623.127 2590371.393 3032615.394 3685153.309 2538886.844 2987767.652 SM 40:5; [M]+@5.96 15480.38461 4815.946504 28507.58286 26280.64339 14032.2767 7250.113865 14576.20739 11181.36793 8386.034894 12263.45401 22091.65116 16302.29142 20489.4665 11377.12304 SM 41:1; [M+Na]+@8.03 224739.6761 263137.5954 310073.281 143094.4515 228406.9989 165547.1285 280662.0332 234564.3639 208674.4763 182348.1783 195481.3183 287247.0298 218491.8408 248298.4123 SM 41:2; [M+Na]+@7.62 129406.5693 117296.6767 176042.4227 241585.2942 103502.2665 108843.5463 115650.773 137242.6729 95713.62127 92027.23533 132192.0847 138806.5798 142734.6882 103236.3331 SM 42:1; [M]+@8.21 1965466.692 1751959.959 2986954.658 793308.9452 1748454.872 1967566.736 1614197.1 1505756.633 1164150.022 1429633.99 1251226.388 1798852.671 1077700.317 1798732.617 SM 42:2; [M]+@7.64 3257906.976 2572591.324 5987310.723 1544119.2 2441478.043 4030467.291 2838527.525 2483627.564 1644708.525 2654853.584 3253015.764 2841514.777 3439007.026 2908914.725 SM 42:5; [M]+@6.54 39721.93671 32607.68086 84619.63085 24542.39084 34445.59494 58844.13812 29706.05844 50042.60182 25000.2327 60689.38416 88778.14081 35500.05208 103986.9613 61666.40006 SM 43:1; [M]+@8.46 60495.29091 89519.28005 226460.6758 58132.38753 115373.5324 69362.44502 92130.43798 128152.4135 65331.19819 60033.77598 81692.24427 109833.5926 91519.27771 74290.76279 SM 43:2; [M]+@7.97 109549.1978 148823.9572 359030.9812 219752.1063 170295.1718 140236.9912 178153.7377 135721.5167 94603.43957 131364.9771 198285.7611 148887.2875 301412.2553 113993.2182 SM 44:1; [M]+@8.76 12960.56904 9913.955377 14023.5216 30398.46719 19749.52391 10823.95799 21836.37911 11422.87229 82381.36695 7121.1798 14557.8781 9199.993132 9477.554745 10903.39294 SM 44:2; [M]+@8.26 27934.05645 21875.74195 55955.17001 233549.6856 25864.08659 36254.85374 31984.70042 19741.87093 19807.66675 29738.92167 36968.59801 25900.22282 41272.10256 23357.36887 TG 40:0; [M+NH4]+@9.41 10422.85747 33226.58928 6231.397942 1830584.242 11540.93952 10237.46676 469470.1735 17939.85234 10365.06822 13912.6984 7062.282765 26188.30584 6509.214531 93639.95001 TG 40:1; [M+NH4]+@9.11 13972.46224 31350.585 3089.068018 139005.1998 19368.49981 4403.810561 179946.0273 13215.68119 13207.25355 11587.44788 3045.808069 56188.89645 1623.689765 80691.36252 TG 42:0; [M+NH4]+@9.73 19922.78491 86745.23511 4809.489198 2086397.127 29049.30919 6621.620971 731764.0097 28685.44761 16701.2248 39800.5231 6170.570578 45902.18714 9770.908352 262560.9245 TG 42:1; [M+NH4]+@9.47 42327.34112 83721.28902 5174.494023 81711.05274 33698.93197 10471.9383 798793.7432 24758.31657 22679.65399 32334.9438 4709.706528 77606.23608 11040.23406 293191.5665 TG 42:2; [M+NH4]+@9.21 26315.68083 44629.31474 3591.74325 93046.06802 32307.29047 9089.711418 366073.594 21699.66249 26183.07943 20300.04466 4053.925198 61808.09465 5134.011275 124444.6466 TG 44:1; [M+NH4]+@9.76 118504.6215 280168.6609 19036.89738 944806.0374 127625.6423 25607.58746 1826100.972 111556.1938 60316.57833 127004.8503 10208.99563 221621.1126 39427.93817 959560.8893 TG 44:2; [M+NH4]+@9.50 101546.4677 158930.6602 18619.99838 83986.43407 97532.90581 21061.64668 906813.8584 63566.64648 56679.94812 47598.1318 9375.459565 148491.3494 26129.6111 454514.2652 TG 46:0; [M+NH4]+@10.27 134983.2808 445400.0521 42764.04284 1155350.584 119528.0861 65772.59197 927203.6634 195590.351 71629.9816 278741.7791 41050.03095 339122.0078 91260.75946 894522.9304 TG 46:1; [M+NH4]+@10.03 518184.1033 1457278.153 262921.0653 384237.804 604480.5207 401200.6284 3085010.705 636698.2434 343462.2206 818463.5911 283900.1543 796929.3977 289583.7269 2181595.208 TG 46:2; [M+NH4]+@9.79 436867.935 608127.602 80465.6389 1374686.902 381307.5392 81134.13362 2825011 276029.9432 205477.9108 316985.465 55430.71058 571689.729 177694.5502 1642459.124 TG 46:3; [M+NH4]+@9.56 199628.6173 200309.837 76278.43842 52483.47751 175530.1595 35500.41109 962690.521 96232.44786 102447.326 87330.18948 20757.09658 251400.1958 65706.54445 463781.5762 TG 48:0; [M+NH4]+@10.51 728553.715 538304.4369 124068.1959 1551109.706 576158.9602 99999.639 1121193.459 406509.7708 441901.2144 495930.5664 112525.605 810763.1826 343018.9641 1229949.412 TG 48:1; [M+NH4]+@10.28 1751589.062 2305843.712 413324.4082 20528983.5 1648955.883 560152.5994 4157663.561 1527553.188 1029782.827 1927877.057 512578.4935 2285346.793 1207603.803 5020083.883 TG 48:2; [M+NH4]+@10.06 1732076.261 2032342.637 400302.7729 10882661.6 1515431.576 464926.0661 3972932.729 1307018.708 876897.557 1367596.076 523081.66 2418872.6 1224363.15 4936756.982 TG 48:3; [M+NH4]+@9.83 1060513.651 1029807.013 210606.0486 2156315.817 881193.3939 250979.7074 2583230.114 600772.7024 495635.9404 671362.2122 197467.9752 1411098.012 563054.1971 2234668.002 TG 49:0; [M+NH4]+@10.65 32413.34498 68063.8588 24032.31259 1366662.713 30973.0442 21231.98911 72729.5225 50682.58036 13318.02749 44459.39255 23073.43983 72855.121 34054.10123 85002.74039 TG 49:1; [M+NH4]+@10.47 223127.2284 179083.3073 72705.94617 504682.0266 193248.9545 36614.34817 521209.2313 158861.7821 90626.85091 134953.1949 70015.23114 289697.3304 122999.1338 419174.0794 TG 49:2; [M+NH4]+@10.23 238183.462 283297.9606 118341.4856 306823.4037 147345.484 86063.33554 398487.6697 206024.1099 86663.88909 195309.2449 103996.0783 290638.9201 205424.9121 408157.351 TG 49:3; [M+NH4]+@10.03 121062.1293 113661.6717 32520.3691 370219.8736 110409.0939 42177.22936 204796.4535 111530.2468 46654.44313 91213.73379 54743.19451 191601.1569 110465.5565 210614.4883 TG 50:0; [M+NH4]+@10.77 472172.9537 911778.9731 345836.9595 2784549.913 562616.2638 370283.1189 1134478.414 721010.3094 544116.2299 786294.164 249130.3467 967456.1841 549559.2257 1137985.978 TG 50:1; [M+NH4]+@10.53 4096754.011 4355734.239 2016112.453 59539894.55 2987390.941 1715059.026 5784886 3625047.429 3261817.983 4134456.254 2157909.739 4909740.878 3473521.706 5989632.174 TG 50:2; [M+NH4]+@10.30 6599884.186 5688034.531 3244343.679 72489956.8 5061954.633 2335076.233 8554261.332 5142450.95 4473138.966 5919490.353 3868562.014 6880807.251 6987892.24 9762392.04 TG 50:3; [M+NH4]+@10.10 6602329.764 3582746.883 2594614.313 5928521.765 4182933.755 1765163.969 6215864.532 3647427.479 2486958.675 3233525.453 2154012.171 5683236.065 4659011.374 7275210.679 TG 50:4; [M+NH4]+@9.93 2518482.087 1528798.346 668176.2737 2635845.647 2090868.304 600694.3701 2770037.815 1059397.043 1371680.535 1044020.496 558321.1344 2611863.966 1471056.411 2338677.256 TG 50:5; [M+NH4]+@9.71 566843.7729 377619.3023 138288.2052 818367.2123 496290.5663 178675.5094 753279.9394 192973.5621 441354.4286 308097.588 76450.38279 729800.6553 224549.0396 522495.3425 TG 51:1; [M+NH4]+@10.71 251565.2142 295138.8568 131102.2517 975506.8185 231997.3165 97357.01671 398715.2776 259111.3722 152820.1893 187019.6441 150263.7494 295459.5626 237134.1454 339151.5307 TG 51:2; [M+NH4]+@10.50 661944.1678 616734.4766 385467.0893 1189474.15 534375.8514 228709.1728 797519.5053 657495.4682 281028.9947 384493.5047 483519.0193 868627.9377 751634.4354 761346.91 TG 51:3; [M+NH4]+@10.30 712554.6964 447163.4779 402410.4843 610459.3493 560052.2327 232045.7064 602244.7697 519607.1819 318086.1556 328579.3913 329456.5923 701296.651 548335.3513 563849.3978 TG 51:4; [M+NH4]+@10.10 219832.8798 170891.828 114763.9597 122037.5687 247107.5319 128306.7503 238963.85 169949.9355 218317.3234 133075.3799 124342.4078 300710.1349 155843.6766 232661.2501 TG 51:5; [M+NH4]+@9.87 62422.10013 75053.06431 20629.60446 74169.81539 134331.3496 38817.0132 60561.82351 64494.8474 54838.62051 45161.07858 14362.39804 100466.7307 68897.61173 63807.85108 TG 52:0; [M+NH4]+@11.03 402044.1416 417836.9968 131383.0088 3336238.885 413915.4164 247166.3655 555286.1951 371607.1839 349625.1832 349098.4075 117432.0537 572687.903 234731.1595 468807.7146 TG 52:1; [M+NH4]+@10.78 3906180.887 3027512.335 1453526.87 21814100.81 3629768.347 1684981.286 4389763.564 3092120.941 3072768.634 2714242.551 1536681.724 3725421.635 2450443.773 3568155.259 TG 52:2; [M+NH4]+@10.55 12093047.59 9626750.454 8085845.651 165813924.2 12650164.23 6442508.775 11477258.22 11950099.22 10540374.46 9900573.436 8886794.952 13407462.2 13316140.1 12733301.71 TG 52:3; [M+NH4]+@10.36 17641914.88 11061251.18 15132405.79 27716969.74 15222252.7 8907234.67 12686744.86 12399135.03 13175259.72 10022599.01 10184997 16202711.77 14586950 14122902.78 TG 52:4; [M+NH4]+@10.16 14006567.99 7644328.24 6590628.088 57887483.87 12880566.64 4654544.909 9837138.173 7296147.667 14654178.19 6896671.846 5853136.756 12567400.76 9653284.762 8683721.853 TG 52:5; [M+NH4]+@9.99 4191957.499 2102315.147 1465204.246 9814808.224 3681990.663 1520510.264 2943842.418 1890673.291 4155115.031 2202723.877 1305756.101 4474815.81 2397798.905 2514980.163 TG 52:6; [M+NH4]+@9.80 1005581.912 564997.7827 238051.8508 1723080.228 841181.557 381515.6347 861171.5235 338554.1791 1001000.778 516576.7715 169424.4153 1130096.378 452931.8311 583145.6693 TG 52:7; [M+NH4]+@9.61 206086.2821 121831.9535 87870.29079 47140.25674 164438.4515 88393.15261 228314.7746 66711.85662 151771.7423 104612.6273 20531.75298 204551.7807 63365.12659 101030.9709 TG 53:0; [M+NH4]+@11.13 76267.08078 95221.65929 73737.97936 265287.6326 40298.93378 66389.12323 92298.66473 45747.87564 61226.27943 72938.93711 47177.4509 121263.3845 57190.62416 74774.67043 TG 53:1; [M+NH4]+@10.92 120378.6813 109404.4544 81886.90742 152031.5353 68549.6621 82067.15417 151665.7964 120625.7551 83624.3761 91218.56416 50740.48699 179068.991 84647.35729 99161.23779 TG 53:2; [M+NH4]+@10.73 580385.8346 195308.3057 220377.1825 663679.6171 685982.5959 86243.06278 651546.1943 313651.2356 359199.3017 205137.4624 213936.3026 760390.6669 336392.1608 349832.2588 TG 53:3; [M+NH4]+@10.53 566597.6281 397195.5363 220362.415 3471324.308 502472.2588 204457.0756 425452.7935 581529.4103 501829.5086 249942.8589 311212.6742 776256.3598 524075.6754 384648.8163 TG 53:4; [M+NH4]+@10.33 213326.7413 185532.5658 180880.7936 684520.1855 342948.8596 127024.4129 233741.5855 232879.6786 301864.4536 165263.8856 199908.8804 442879.1341 279546.1782 242020.4431 TG 53:5; [M+NH4]+@10.14 134407.4361 139998.2201 56561.36686 386291.6705 138678.0267 85470.8484 137862.4435 78990.60431 313278.4668 66274.21874 59507.29999 152788.6523 92838.90475 99536.24325 TG 53:6; [M+NH4]+@9.96 58255.28487 59388.93452 61741.95762 158615.3026 60937.99076 53692.09392 77766.76442 29261.41667 65459.34534 39578.66512 30545.83925 94907.00007 60322.68111 46413.66219 TG 53:7; [M+NH4]+@9.74 44548.88365 30682.29611 46505.99849 378584.6756 53675.44145 36372.70051 46691.86738 37361.32636 29901.52489 33363.31979 19773.7432 52152.89893 32196.6537 47333.6502 TG 54:0; [M+NH4]+@11.25 87128.0423 92389.1515 24928.27027 917782.6794 104689.3221 46344.24617 126986.9636 78003.3325 71279.62419 62055.67655 23577.36014 164162.775 46689.00905 87880.71128 TG 54:1; [M+NH4]+@11.04 637010.1573 507747.0552 284867.6737 564939.529 877726.1956 287109.2992 839385.845 539246.7058 502772.504 372220.4132 198801.2577 994776.7322 378447.7227 434373.0668 TG 54:2; [M+NH4]+@10.83 2342201.764 1543584.492 1700110.598 4053156.648 2962663.352 1144475.215 2753195.895 2050494.755 2073585.497 1327080.518 1242041.021 3099577.437 1840444.862 1764079.183 TG 54:3; [M+NH4]+@10.62 3458332.977 2248793.375 2118679.646 12941178.91 4309659.496 1659943.646 3528950.679 3045321.51 3894231.047 1847861.261 2439744.294 3939004.574 3264067.81 2278743.18 TG 54:4; [M+NH4]+@10.42 5540542.79 2890927.91 3456768.456 6471129.797 5983983.785 2866364.289 3916634.476 3674547.283 5984916.189 2333325.644 2754539.441 5087657.042 3676233.996 3153218.406 TG 54:5; [M+NH4]+@10.20 5122112.958 2881488.589 3964008.606 6032954.652 5288523.76 3037228.653 3689476.371 2895963.605 6449610.898 2271809.621 2315789.388 4761959.567 3164814.615 2500863.628 TG 54:6; [M+NH4]+@10.07 3487963.245 1800483.369 2471325.576 1673687.802 3335052.676 2057542.021 2291564.39 1530361.464 5174651.675 1632911.348 1249693.886 3064906.545 1831715.565 1375782.622 TG 54:7; [M+NH4]+@9.88 1229289.589 773828.2946 526696.5194 6917431.781 1425322.3 562411.4814 1036257.999 516753.2094 2938761.922 839668.7825 361461.2473 1448243.676 683553.6754 514730.7466 TG 54:8; [M+NH4]+@9.69 243886.2434 169975.7848 90569.05553 894191.2746 268889.2179 163111.4633 239848.7688 84665.63917 452730.8416 193124.5143 50438.16475 302459.1965 96797.71493 112269.7012 TG 55:1; [M+NH4]+@11.15 681.3224744 366.1087697 10650.43673 10239.48478 855.4574056 6909.025638 82170.21998 11864.70841 7599.918141 9223.50754 10719.39867 39557.42374 11029.02316 31552.96742 TG 55:3; [M+NH4]+@10.75 47853.14699 32417.94814 43262.88758 659937.9316 62824.49334 33464.59479 67483.88201 56153.00921 54119.75199 31062.14973 47022.80704 80710.00436 69988.05454 52365.09585 TG 55:6; [M+NH4]+@10.24 35445.03789 49757.40104 51780.31633 29226.17774 39915.51354 51707.39152 70504.44584 33489.99572 37213.73475 54141.42937 26801.45567 60996.33973 52248.11232 33237.60222 TG 55:7; [M+NH4]+@10.07 35208.17033 33174.99054 32951.38699 408253.0856 22680.07387 27797.66707 41877.34315 29502.96517 14286.62398 36351.56241 17600.6309 42549.87209 29355.93137 26917.99388 TG 56:0; [M+NH4]+@11.50 4396.322507 6348.369583 991.8390838 91256.64972 26339.41696 1379.480188 33053.91689 8749.781404 10050.61676 6920.432537 2444.058726 7432.415237 2176.577561 3136.399188 TG 56:1; [M+NH4]+@11.27 43961.42699 56799.28044 12576.46591 45307.99854 98666.89847 18093.57515 90220.56131 42991.05767 71737.94484 26475.21551 17866.81476 98846.42345 34226.88783 43885.95688 TG 56:10; [M+NH4]+@9.66 53313.78842 54081.42293 37656.30457 13237.86124 63328.19809 57636.15217 73188.6247 15693.1919 38347.03898 52743.12227 8102.250522 67551.16776 22911.15287 17342.20742 TG 56:2; [M+NH4]+@11.06 149448.2351 62121.9032 53139.55546 61204.25177 348475.1858 37445.89015 219760.1479 165182.8041 179699.993 50946.74388 37097.47041 234191.3908 74873.60429 118075.1957 TG 56:3; [M+NH4]+@10.86 162031.5792 93819.90089 139413.3299 444292.8768 266709.0196 145923.6923 256275.4458 167825.5533 243381.011 98368.58089 115700.6201 221298.9241 172009.1374 150472.9583 TG 56:4; [M+NH4]+@10.71 320396.0066 224775.7508 260542.1957 71816.49006 408268.8961 227377.7096 452655.3107 270680.5314 329015.7843 208184.6355 192746.1349 280956.2773 370065.3625 234028.6573 TG 56:5; [M+NH4]+@10.53 889893.2875 539214.6923 975982.7833 1039372.703 836463.5168 857132.3142 900864.7154 565771.6207 572589.5401 687999.4465 465668.8541 626960.3679 922260.9715 635811.6189 TG 56:6; [M+NH4]+@10.34 1045090.077 774717.1961 1916961.989 6041052.302 1181541.96 1175824.903 1249547.492 707558.3216 892804.1204 1007750.881 897890.6966 989971.9166 1203677.862 729120.1933 TG 56:7; [M+NH4]+@10.21 1318372.506 973927.3533 2065660.889 1999071.011 1248801.162 1407271.755 1463797.079 974498.7138 848603.0299 1295138.698 863113.4576 1058763.729 1274169.421 716026.1847 TG 56:8; [M+NH4]+@9.96 799201.9022 624166.414 1194479.891 1047663.952 904850.2049 790340.497 853034.4546 545207.0003 669941.0955 821740.6678 493353.1195 727752.9952 721266.014 320159.2768 TG 56:9; [M+NH4]+@9.82 246127.8434 243795.0118 311546.7517 211031.6002 303083.9119 274386.9877 290315.8321 120468.1947 233643.021 253190.65 104074.4808 316033.5942 168549.5344 92900.50318 TG 57:3; [M+NH4]+@11.01 12788.76485 6703.665816 19345.48164 121735.5063 19580.82366 10978.44841 23975.603 13659.42417 7346.190905 7767.987693 23524.6573 16558.21379 12640.3396 12275.28059 TG 57:6; [M+NH4]+@10.52 18361.67688 8658.649116 18355.02717 1637.942288 25325.06005 16033.39704 36937.59286 6668.443316 9688.658524 11213.14726 10367.89685 21265.41805 22516.18427 12963.11902 TG 57:8; [M+NH4]+@10.19 7285.370477 8259.679901 7485.403399 165274.4971 10204.27383 16609.3265 12270.21029 15886.59579 47872.9462 19282.7481 6814.209017 8031.203572 9132.87144 15374.64051 TG 58:1; [M+NH4]+@11.52 9630.101951 11752.36103 5032.581203 132014.1134 45732.39953 5256.376156 29706.24323 6835.226863 29232.05081 6010.325975 2880.562495 25688.90471 4591.215231 14763.02002 TG 58:10; [M+NH4]+@9.89 145370.2756 182915.2368 356239.1311 205478.2385 178182.1851 368255.4924 197598.5531 79906.20966 154506.0283 259252.5676 117895.0658 194059.8096 142801.3928 64179.45505 TG 58:11; [M+NH4]+@9.75 47415.59155 65718.42429 94870.70214 106686.5638 67606.58621 85821.41351 80603.43699 20687.05055 50630.83187 91954.33811 17061.88899 85377.33628 30147.904 21674.10952 TG 58:12; [M+NH4]+@9.60 11442.68982 13379.06101 5823.905116 1869.445998 9224.111471 11371.27235 17904.34999 2899.500532 66861.43992 18193.70392 1799.865036 12099.50818 2034.700924 4287.454354 TG 58:2; [M+NH4]+@11.29 22328.00574 24517.32816 5810.135667 74552.96662 64871.88167 12536.77387 55227.555 21872.7943 68316.96668 16995.25075 7733.338444 53218.42603 12367.67657 22205.15897 TG 58:3; [M+NH4]+@11.09 28542.74967 19666.46414 19368.56404 14769.12316 64832.99316 14615.53663 55255.81087 23316.63514 73159.95244 15649.4615 17051.31744 48463.93201 29713.70256 29690.43935 TG 58:4; [M+NH4]+@10.91 24349.38491 15779.03006 29909.31173 57603.83892 43464.57608 17205.91999 54495.11828 23299.063 54467.00224 22305.43007 21706.70099 39446.63553 26590.26348 19851.35278 TG 58:5; [M+NH4]+@10.77 39309.79478 27213.02494 37634.30005 593498.943 56463.24938 59400.79449 82735.27342 44149.40484 45357.7553 60478.28854 26503.27457 38441.90641 60273.63404 41223.20504 TG 58:6; [M+NH4]+@10.57 98677.8983 76707.28288 73022.00422 475807.7291 118901.0417 107041.5618 144513.8717 86572.27516 102859.7322 109308.5444 69351.89117 83255.89486 112539.0929 100706.4901 TG 58:7; [M+NH4]+@10.40 126253.0003 138113.9559 186925.7863 3425518.271 188208.0792 223804.1161 220617.9789 153444.4895 148921.3379 230657.9614 157734.7641 123270.5521 200085.1488 157408.7695 TG 58:8; [M+NH4]+@10.26 171954.5242 193848.327 309939.2243 2231816.988 270182.6343 335196.4541 295452.5165 216410.7486 178020.0343 316151.243 204492.309 168301.1807 279701.2557 124072.0352 TG 58:9; [M+NH4]+@10.11 168847.5954 208832.9103 457120.4418 389959.4244 247941.0902 439035.5481 301783.1333 155803.3503 167347.3649 266146.2756 183340.2287 199554.3702 222197.6753 79735.0007 TG 60:10; [M+NH4]+@10.18 37273.22877 36954.50606 116380.7765 58655.92555 33126.1383 116889.3907 55649.99347 29367.15671 22329.24295 71886.5986 28943.87551 23238.11512 48313.73272 14007.3333 TG 60:11; [M+NH4]+@10.07 52297.06725 25513.37059 91942.5018 29856.70194 58133.92688 62607.82475 94592.05482 22807.29185 23544.99508 78719.35037 25880.28716 36114.82011 50064.90216 12450.04169 TG 60:12; [M+NH4]+@9.85 26133.12928 28220.05876 67981.23928 105632.6216 25521.78411 61461.58287 47153.53696 21226.98743 12697.62211 82579.3519 22053.03964 19441.70624 30287.82634 7496.741369 TG 60:13; [M+NH4]+@9.69 4193.527276 7748.514466 13168.16121 53040.81134 8895.493462 12315.77236 12555.37715 4744.013583 4787.377015 19990.89177 2648.171246 5195.394069 5719.34378 929.979451 TG 60:5; [M+NH4]+@10.98 9843.847761 3149.462151 8024.458648 92978.96103 11673.94666 6916.035895 17775.13442 2232.472751 14336.16478 4894.342118 8516.738081 5894.330907 7878.725861 10986.52015 TG 60:7; [M+NH4]+@10.67 14045.26805 2662.29782 5510.187634 63127.03136 27043.51594 24366.65289 19036.9644 11096.20181 64121.89143 17194.50388 10898.60966 11328.92926 6203.944742 13136.09219 TG 60:8; [M+NH4]+@10.52 20598.18441 12037.54509 12940.29191 12549.72161 22993.36091 56851.77879 31609.07336 23289.005 150003.214 28369.90688 19740.63776 11390.68389 22496.18239 27297.27015 TG 60:9; [M+NH4]+@10.34 30289.38572 19499.19377 64069.73887 306287.1054 29926.81312 57501.68995 44845.89952 23577.37227 18549.35973 46676.18303 21533.16567 18772.26727 31033.44645 36338.97061 TG 62:13; [M+NH4]+@9.89 3066.796298 6618.375427 14758.53751 19810.04511 3989.911232 16258.17299 10617.68827 5014.560936 1517.525753 21141.42131 5606.402623 3732.383979 5569.147802 154.184407 lysoPC 14:0; [M+H]+@1.07 42694.49824 74911.46936 20724.75742 82259.93757 53119.46579 30273.23881 91038.02928 41337.09837 26004.55544 42491.75745 18701.26289 62104.61077 40111.74824 84719.24222 lysoPC 15:0; [M+H]+@1.25 45416.80449 55772.08999 28360.34104 42235.43307 39753.81093 25833.84772 62583.01868 43121.05421 25336.60295 24814.78139 36081.64698 55502.94173 36361.50209 43127.48607 lysoPC 16:0; [M+H]+@1.62 8985130.487 6406234.095 8422780.029 2472914.205 6175103.691 4520331.469 9027220.145 5848837.806 3988718.888 3437597.42 4478897.781 5950942.012 6130842.373 7306076.75 lysoPC 16:1; [M+H]+@1.22 291241.0389 167952.9927 165183.1734 13426.66033 136784.2742 139502.1671 240481.7119 122171.3394 65548.9528 85576.56938 104601.5558 185440.7959 204611.765 261137.0638 lysoPC 17:1; [M+H]+@1.41 16683.06126 23330.13 19095.65631 39903.43484 15555.29084 23675.77358 26440.02776 23019.92204 15871.04518 8791.416229 11997.23779 28737.72411 23562.37763 21257.07855 lysoPC 18:0; [M+H]+@2.41 1161331.577 967262.7688 1197645.33 10273.07045 969943.9916 938698.4219 1150947.898 938978.0118 779887.7676 1710.976637 710449.8351 1074235.508 895511.4682 1052460.865 lysoPC 18:1; [M+H]+@1.78 2462094.915 1644369.285 1980420.429 220935.9133 1550940 1592611.37 2431122.516 1344166.314 924517.4531 694330.7483 1105345.55 1882804.217 1426859.967 1702027.366 lysoPC 18:2; [M+H]+@1.37 3925041.094 2851303.796 3108907.523 263990.8373 2709925.759 2822393.684 2901640.708 2276094.463 3094237.993 1078335.154 1271704.157 4916523.272 1510076.649 2617817.049 lysoPC 18:3; [M+H]+@1.10 79307.50976 57643.21794 34236.20014 103358.2103 46790.50141 52023.35734 64959.26708 22691.72116 50584.75003 21576.19112 13723.96879 99319.1644 26679.68581 55869.91569 lysoPC 19:0; [M+H]+@2.87 24478.1792 26847.41933 27121.322 37449.38672 26761.73375 22234.37711 33451.9849 23445.09797 16635.54013 19873.93037 21614.44036 22279.35794 26708.40659 28451.14934 lysoPC 20:0; [M+H]+@3.30 21161.48614 23119.4301 9920.835072 34864.07859 24678.30537 9991.097977 24811.13899 13585.74049 9788.790835 9641.532107 6543.407269 19097.43366 7340.273358 20287.52508 lysoPC 20:1; [M+H]+@2.56 38538.30696 22437.18983 36135.10201 11862.5549 33184.01214 20315.69017 28532.9073 25873.63521 13602.24746 15806.63992 19588.17354 22368.92876 23285.84427 24176.28043 lysoPC 20:2; [M+H]+@1.93 49627.32675 25361.56327 17434.82959 9271.96687 29115.39085 38971.76222 27054.21717 18893.90091 148851.3753 16240.82977 23329.04976 25770.30716 21234.61999 60946.17792 lysoPC 20:3; [M+H]+@1.53 411962.9981 340364.3073 271822.8531 82344.19335 232801.7159 219213.1016 458255.0165 219372.894 130504.7284 143648.2103 123795.893 347688.5307 245681.7892 320350.3884 lysoPC 20:4; [M+H]+@1.37 1024377.741 645779.0504 1525376.558 340086.6621 653625.2502 822350.2606 1064073.184 395007.25 443218.5509 380344.1193 501136.8397 835200.764 708004.685 440368.9333 lysoPC 20:5; [M+H]+@1.03 416580.6712 294974.6674 388061.8588 14704.53908 349205.5387 200468.9882 314663.5897 234977.488 424203.3671 143563.591 154604.8084 542284.8013 173518.8354 249195.5235 lysoPC 22:0; [M+H]+@4.26 11038.02713 7378.691924 4947.080278 8934.098378 13655.4423 7206.926932 10689.23064 3612.690008 6898.524107 1153.21374 1882.006178 7759.693822 2011.582795 5382.152088 lysoPC 22:4; [M+H]+@1.77 33471.0933 14436.31207 40192.00668 34241.44762 14300.00527 28866.67829 34367.6793 11570.84341 10288.6885 9806.021458 13751.05638 17805.77899 16741.64916 27031.34537 lysoPC 22:5; [M+H]+@1.50 91696.31113 60727.93709 93618.61076 18707.1867 52139.71436 59910.63131 107481.9299 46379.59145 29875.04532 29545.77676 36160.83364 63706.1964 49630.79222 56866.37532 lysoPC 22:6; [M+H]+@1.27 477870.1302 93780.45322 181686.1526 27437.59966 173377.8195 88238.52959 253326.9649 123023.4498 94860.18684 113810.7343 69759.88257 151883.9931 125077.7701 61626.89651 lysoPC 24:0; [M+H]+@5.14 14412.35898 10627.53648 18923.47403 28114.68402 9520.468541 8304.883819 14919.40121 10424.78251 9087.675907 11417.58764 4114.505283 14239.67924 6807.207923 18051.29859 lysoPC 24:1; [M+H]+@4.31 10179.45858 2210.043257 3385.531845 13021.40303 5283.929665 1785.47144 7703.842894 3278.537261 1736.300032 3218.991856 3487.986357 3448.669947 3703.60406 3535.835464 lysoPC 26:0; [M+H]+@5.96 6162.777653 2958.968608 6645.953513 96039.07816 5012.194313 4834.154532 2808.580083 1657.124132 5611.554205 2174.058842 2300.893391 3344.833645 1602.655206 6321.409751 plasmenyl-PC 18:0; [M+Na]+@1.81 491014.0632 302396.3564 483391.1213 80820.45171 298401.5488 287152.693 496092.2654 264582.7747 197796.6575 121741.9046 224638.966 383086.1804 339959.4533 326346.4828 plasmenyl-PC 36:4; [M+Na]+@6.57 7207.213884 27034.15528 16081.36657 252533.9583 16268.95705 23318.80291 27925.32907 21504.57007 14836.74138 15098.04787 24507.04417 21115.89341 11863.73914 42338.31167 plasmenyl-PC 38:3; [M+Na]+@7.08 41667.44432 62180.93396 137521.3107 1146549.891 63076.1291 122726.349 63045.90575 94683.22287 51890.60161 147398.9882 73156.30887 105538.9225 43878.47637 44938.61051 plasmenyl-PC 44:4; [M+Na]+@8.40 37291.56846 25276.45031 67864.46424 204748.6232 58396.32101 62752.53905 61101.44769 43113.87057 24768.70883 47794.97549 64581.80191 34889.24936 55072.55613 42108.8133 plasmenyl-PE 32:0; [M+H]+@7.09 2640.038589 3211.690293 4282.697891 27012.4149 6396.610439 2920.792628 5131.824497 2302.975504 1451.231059 2196.214281 1343.280744 1209.424009 1530.868491 2042.162495 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 CE(16:0); [M+NH4]+@10.91 10.91 246520 LMST01020005 LipidMaps CE(16:1); [M+NH4]+@10.62 10.62 CE(16:1) LipidMaps Bulk ID CE(17:1); [M+NH4]+@10.78 10.78 24779603 LMST01020023 LipidMaps CE(18:0); [M+NH4]+@11.27 11.27 118246 LMST01020007 LipidMaps CE(18:1); [M+NH4]+@10.86 10.86 5283632 LMST01020003 LipidMaps CE(18:2); [M+NH4]+@10.73 10.73 5287939 LMST01020008 LipidMaps CE(18:3); [M+NH4]+@10.44 10.44 6436907 LMST01020009 LipidMaps CE(20:3); [M+NH4]+@10.71 10.71 14274976 LMST01020013 LipidMaps CE(20:4); [M+NH4]+@10.49 10.49 6479222 LMST01020014 LipidMaps CE(20:5); [M+NH4]+@10.33 10.33 10372299 LMST01020015 LipidMaps CE(22:4); [M+NH4]+@10.80 10.8 16061341 LMST01020018 LipidMaps CE(22:5); [M+NH4]+@10.64 10.64 42608400 LMST01020031 LipidMaps CE(22:6); [M+NH4]+@10.43 10.43 14274978 LMST01020019 LipidMaps DG 30:0; [M+NH4]+@7.34 7.34 DG(30:0) LipidMaps Bulk ID DG 30:1; [M+NH4]+@6.87 6.87 DG(30:1) LipidMaps Bulk ID DG 30:2; [M+NH4]+@6.42 6.42 DG(30:2) LipidMaps Bulk ID DG 31:1; [M+NH4]+@7.15 7.15 DG(31:1) LipidMaps Bulk ID DG 32:0; [M+NH4]+@7.88 7.88 DG(32:0) LipidMaps Bulk ID DG 32:1; [M+NH4]+@7.45 7.45 DG(32:1) LipidMaps Bulk ID DG 32:2; [M+NH4]+@7.01 7.01 DG(32:2) LipidMaps Bulk ID DG 33:0; [M+NH4]+@8.13 8.13 DG(33:0) LipidMaps Bulk ID DG 33:1; [M+NH4]+@7.67 7.67 DG(33:1) LipidMaps Bulk ID DG 34:0; [M+NH4]+@8.38 8.38 DG(34:0) LipidMaps Bulk ID DG 34:2; [M+NH4]+@7.52 7.52 DG(34:2) LipidMaps Bulk ID DG 34:3; [M+NH4]+@7.14 7.14 DG(34:3) LipidMaps Bulk ID DG 34:4; [M+NH4]+@6.86 6.86 DG(34:4) LipidMaps Bulk ID DG 34:5; [M+NH4]+@6.39 6.39 DG(34:5) LipidMaps Bulk ID DG 35:1; [M+NH4]+@8.17 8.17 DG(35:1) LipidMaps Bulk ID DG 35:2; [M+NH4]+@7.82 7.82 DG(35:2) LipidMaps Bulk ID DG 35:3; [M+NH4]+@7.40 7.4 DG(35:3) LipidMaps Bulk ID DG 36:0; [M+NH4]+@8.83 8.83 DG(36:0) LipidMaps Bulk ID DG 36:1; [M+NH4]+@8.43 8.43 DG(36:1) LipidMaps Bulk ID DG 36:2; [M+NH4]+@8.06 8.06 DG(36:2) LipidMaps Bulk ID DG 36:3; [M+NH4]+@7.64 7.64 DG(36:3) LipidMaps Bulk ID DG 36:4; [M+NH4]+@7.31 7.31 DG(36:4) LipidMaps Bulk ID DG 36:5; [M+NH4]+@6.97 6.97 DG(36:5) LipidMaps Bulk ID DG 38:1; [M+NH4]+@8.58 8.58 DG(38:1) LipidMaps Bulk ID DG 38:2; [M+NH4]+@8.52 8.52 DG(38:2) LipidMaps Bulk ID DG 38:4; [M+NH4]+@7.87 7.87 DG(38:4) LipidMaps Bulk ID DG 38:5; [M+NH4]+@7.57 7.57 DG(38:5) LipidMaps Bulk ID DG 38:6; [M+NH4]+@7.22 7.22 DG(38:6) LipidMaps Bulk ID DG 40:0; [M+NH4]+@9.52 9.52 DG(40:0) LipidMaps Bulk ID DG 40:5; [M+NH4]+@8.04 8.04 DG(40:5) LipidMaps Bulk ID DG 40:6; [M+NH4]+@7.64 7.64 DG(40:6) LipidMaps Bulk ID DG 40:7; [M+NH4]+@7.49 7.49 DG(40:7) LipidMaps Bulk ID DG 40:8; [M+NH4]+@7.12 7.12 DG(40:8) LipidMaps Bulk ID MG 17:0; [M+Li]+@3.18 3.18 107036 LMGL01010002 LipidMaps MG 18:0; [M+NH4]+@3.49 3.49 24699 LMGL01010003 LipidMaps MG 18:1; [M+NH4]+@2.95 2.95 MG(18:1) LipidMaps Bulk ID PC 28:1; [M+H]+@4.65 4.65 PC(28:1) LipidMaps Bulk ID PC 29:0; [M+H]+@5.61 5.61 PC(29:0) LipidMaps Bulk ID PC 30:0; [M+Na]+@6.00 6 PC(30:0) LipidMaps Bulk ID PC 30:1; [M+H]+@5.47 5.47 PC(30:1) LipidMaps Bulk ID PC 30:3; [M+H]+@5.27 5.27 PC(30:3) LipidMaps Bulk ID PC 32:0; [M+H]+@6.58 6.58 PC(32:0) LipidMaps Bulk ID PC 32:1; [M+H]+@6.06 6.06 PC(32:1) LipidMaps Bulk ID PC 33:3; [M+H]+@5.51 5.51 PC(33:3) LipidMaps Bulk ID PC 34:1; [M+H]+@6.65 6.65 PC(34:1) LipidMaps Bulk ID PC 34:2; [M+H]+@6.22 6.22 PC(34:2) LipidMaps Bulk ID PC 34:5; [M+H]+@5.16 5.16 PC(34:5) LipidMaps Bulk ID PC 35:5; [M+H]+@5.64 5.64 PC(35:5) LipidMaps Bulk ID PC 36:1; [M+H]+@7.29 7.29 PC(36:1) LipidMaps Bulk ID PC 36:2; [M+H]+@6.84 6.84 PC(36:2) LipidMaps Bulk ID PC 36:3; [M+H]+@6.41 6.41 PC(36:3) LipidMaps Bulk ID PC 36:4; [M+H]+@6.10 6.1 PC(36:4) LipidMaps Bulk ID PC 36:6; [M+H]+@5.58 5.58 PC(36:6) LipidMaps Bulk ID PC 37:1; [M+H]+@7.62 7.62 PC(37:1) LipidMaps Bulk ID PC 38:3; [M+H]+@7.07 7.07 PC(38:3) LipidMaps Bulk ID PC 38:4; [M+H]+@6.85 6.85 PC(38:4) LipidMaps Bulk ID PC 38:5; [M+H]+@6.33 6.33 PC(38:5) LipidMaps Bulk ID PC 38:6; [M+H]+@6.13 6.13 PC(38:6) LipidMaps Bulk ID PC 38:7; [M+H]+@5.53 5.53 PC(38:7) LipidMaps Bulk ID PC 38:9; [M+H]+@5.48 5.48 PC(38:9) LipidMaps Bulk ID PC 39:0; [M+Na]+@8.23 8.23 PC(39:0) LipidMaps Bulk ID PC 39:3; [M+H]+@7.32 7.32 PC(39:3) LipidMaps Bulk ID PC 39:4; [M+H]+@6.87 6.87 PC(39:4) LipidMaps Bulk ID PC 39:7; [M+H]+@5.96 5.96 PC(39:7) LipidMaps Bulk ID PC 39:8; [M+H]+@6.04 6.04 PC(39:8) LipidMaps Bulk ID PC 40:1; [M+H]+@8.47 8.47 PC(40:1) LipidMaps Bulk ID PC 40:10; [M+H]+@5.63 5.63 PC(40:10) LipidMaps Bulk ID PC 40:2; [M+H]+@8.03 8.03 PC(40:2) LipidMaps Bulk ID PC 40:7; [M+H]+@6.87 6.87 PC(40:7) LipidMaps Bulk ID PC 41:5; [M+H]+@7.28 7.28 PC(41:5) LipidMaps Bulk ID PC 41:6; [M+H]+@6.96 6.96 PC(41:6) LipidMaps Bulk ID PC 42:1; [M+H]+@9.00 9 PC(42:1) LipidMaps Bulk ID PC 42:11; [M+H]+@5.78 5.78 PC(42:11) LipidMaps Bulk ID PC 42:2; [M+H]+@8.61 8.61 PC(42:2) LipidMaps Bulk ID PC 42:3; [M+H]+@8.06 8.06 PC(42:3) LipidMaps Bulk ID PC 42:4; [M+H]+@7.99 7.99 PC(42:4) LipidMaps Bulk ID PC 42:5; [M+H]+@7.57 7.57 PC(42:5) LipidMaps Bulk ID PC 42:6; [M+H]+@7.15 7.15 PC(42:6) LipidMaps Bulk ID PC 42:7; [M+H]+@7.50 7.5 PC(42:7) LipidMaps Bulk ID PC 42:8; [M+H]+@6.32 6.32 PC(42:8) LipidMaps Bulk ID PC 42:9; [M+H]+@5.98 5.98 PC(42:9) LipidMaps Bulk ID PC 44:4; [M+H]+@8.56 8.56 PC(44:4) LipidMaps Bulk ID PC 44:5; [M+H]+@8.08 8.08 PC(44:5) LipidMaps Bulk ID PE 33:0; [M+H]+@7.00 7 PE(33:0) LipidMaps Bulk ID PE 38:4; [M+H]+@7.01 7.01 PE(38:4) LipidMaps Bulk ID SM 29:1; [M]+@3.96 3.96 SM 29:1 LipidBLAST SM 30:0; [M]+@4.65 4.65 46891775 SM 30:1; [M+Na]+@4.37 4.37 SM 30:1 LipidBLAST SM 31:1; [M]+@4.75 4.75 SM 31:1 LipidBLAST SM 32:0; [M]+@5.44 5.44 44260138 SM 32:1; [M]+@5.09 5.09 11433862 SM 32:2; [M]+@4.63 4.63 SM 32:2 LipidBLAST SM 33:0; [M]+@5.78 5.78 SM 33:0 LipidBLAST SM 33:1; [M]+@5.48 5.48 52931139 SM 33:2; [M]+@4.98 4.98 SM 33:2 LipidBLAST SM 34:0; [M+Na]+@6.02 6.02 9939965 SM 34:1; [M]+@5.75 5.75 SM 34:1 LipidBLAST SM 34:2; [M]+@5.24 5.24 SM 34:2 LipidBLAST SM 35:0; [M]+@6.46 6.46 SM 35:0 LipidBLAST SM 35:2; [M]+@5.55 5.55 SM 35:2 LipidBLAST SM 36:1; [M]+@6.43 6.43 44260139 SM 36:2; [M]+@6.02 6.02 SM 36:2 LipidBLAST SM 37:1; [M]+@6.77 6.77 SM 37:1 LipidBLAST SM 37:2; [M]+@6.39 6.39 SM 37:2 LipidBLAST SM 38:0; [M]+@5.82 5.82 44260131 SM 38:1; [M]+@7.13 7.13 SM 38:1 LipidBLAST SM 38:2; [M]+@6.41 6.41 SM 38:2 LipidBLAST SM 38:4; [M]+@5.75 5.75 SM 38:4 LipidBLAST SM 39:1; [M]+@7.34 7.34 SM 39:1 LipidBLAST SM 39:2; [M]+@6.99 6.99 SM 39:2 LipidBLAST SM 40:1; [M]+@7.68 7.68 SM 40:1 LipidBLAST SM 40:2; [M]+@7.20 7.2 SM 40:2 LipidBLAST SM 40:5; [M]+@5.96 5.96 SM 40:5 LipidBLAST SM 41:1; [M+Na]+@8.03 8.03 SM 41:1 LipidBLAST SM 41:2; [M+Na]+@7.62 7.62 SM 41:2 LipidBLAST SM 42:1; [M]+@8.21 8.21 44260133 SM 42:2; [M]+@7.64 7.64 SM 42:2 LipidBLAST SM 42:5; [M]+@6.54 6.54 SM 42:5 LipidBLAST SM 43:1; [M]+@8.46 8.46 SM 43:1 LipidBLAST SM 43:2; [M]+@7.97 7.97 SM 43:2 LipidBLAST SM 44:1; [M]+@8.76 8.76 SM 44:1 LipidBLAST SM 44:2; [M]+@8.26 8.26 SM 44:2 LipidBLAST TG 40:0; [M+NH4]+@9.41 9.41 TG(40:0) LipidMaps Bulk ID TG 40:1; [M+NH4]+@9.11 9.11 TG(40:1) LipidMaps Bulk ID TG 42:0; [M+NH4]+@9.73 9.73 TG(42:0) LipidMaps Bulk ID TG 42:1; [M+NH4]+@9.47 9.47 TG(42:1) LipidMaps Bulk ID TG 42:2; [M+NH4]+@9.21 9.21 TG(42:2) LipidMaps Bulk ID TG 44:1; [M+NH4]+@9.76 9.76 TG(44:1) LipidMaps Bulk ID TG 44:2; [M+NH4]+@9.50 9.5 TG(44:2) LipidMaps Bulk ID TG 46:0; [M+NH4]+@10.27 10.27 TG(46:0) LipidMaps Bulk ID TG 46:1; [M+NH4]+@10.03 10.03 TG(46:1) LipidMaps Bulk ID TG 46:2; [M+NH4]+@9.79 9.79 TG(46:2) LipidMaps Bulk ID TG 46:3; [M+NH4]+@9.56 9.56 TG(46:3) LipidMaps Bulk ID TG 48:0; [M+NH4]+@10.51 10.51 TG(48:0) LipidMaps Bulk ID TG 48:1; [M+NH4]+@10.28 10.28 TG(48:1) LipidMaps Bulk ID TG 48:2; [M+NH4]+@10.06 10.06 TG(48:2) LipidMaps Bulk ID TG 48:3; [M+NH4]+@9.83 9.83 TG(48:3) LipidMaps Bulk ID TG 49:0; [M+NH4]+@10.65 10.65 TG(49:0) LipidMaps Bulk ID TG 49:1; [M+NH4]+@10.47 10.47 TG(49:1) LipidMaps Bulk ID TG 49:2; [M+NH4]+@10.23 10.23 TG(49:2) LipidMaps Bulk ID TG 49:3; [M+NH4]+@10.03 10.03 TG(49:3) LipidMaps Bulk ID TG 50:0; [M+NH4]+@10.77 10.77 TG(50:0) LipidMaps Bulk ID TG 50:1; [M+NH4]+@10.53 10.53 TG(50:1) LipidMaps Bulk ID TG 50:2; [M+NH4]+@10.30 10.3 TG(50:2) LipidMaps Bulk ID TG 50:3; [M+NH4]+@10.10 10.1 TG(50:3) LipidMaps Bulk ID TG 50:4; [M+NH4]+@9.93 9.93 TG(50:4) LipidMaps Bulk ID TG 50:5; [M+NH4]+@9.71 9.71 TG(50:5) LipidMaps Bulk ID TG 51:1; [M+NH4]+@10.71 10.71 TG(51:1) LipidMaps Bulk ID TG 51:2; [M+NH4]+@10.50 10.5 TG(51:2) LipidMaps Bulk ID TG 51:3; [M+NH4]+@10.30 10.3 TG(51:3) LipidMaps Bulk ID TG 51:4; [M+NH4]+@10.10 10.1 TG(51:4) LipidMaps Bulk ID TG 51:5; [M+NH4]+@9.87 9.87 TG(51:5) LipidMaps Bulk ID TG 52:0; [M+NH4]+@11.03 11.03 TG(52:0) LipidMaps Bulk ID TG 52:1; [M+NH4]+@10.78 10.78 TG(52:1) LipidMaps Bulk ID TG 52:2; [M+NH4]+@10.55 10.55 TG(52:2) LipidMaps Bulk ID TG 52:3; [M+NH4]+@10.36 10.36 TG(52:3) LipidMaps Bulk ID TG 52:4; [M+NH4]+@10.16 10.16 TG(52:4) LipidMaps Bulk ID TG 52:5; [M+NH4]+@9.99 9.99 TG(52:5) LipidMaps Bulk ID TG 52:6; [M+NH4]+@9.80 9.8 TG(52:6) LipidMaps Bulk ID TG 52:7; [M+NH4]+@9.61 9.61 TG(52:7) LipidMaps Bulk ID TG 53:0; [M+NH4]+@11.13 11.13 TG(53:0) LipidMaps Bulk ID TG 53:1; [M+NH4]+@10.92 10.92 TG(53:1) LipidMaps Bulk ID TG 53:2; [M+NH4]+@10.73 10.73 TG(53:2) LipidMaps Bulk ID TG 53:3; [M+NH4]+@10.53 10.53 TG(53:3) LipidMaps Bulk ID TG 53:4; [M+NH4]+@10.33 10.33 TG(53:4) LipidMaps Bulk ID TG 53:5; [M+NH4]+@10.14 10.14 TG(53:5) LipidMaps Bulk ID TG 53:6; [M+NH4]+@9.96 9.96 TG(53:6) LipidMaps Bulk ID TG 53:7; [M+NH4]+@9.74 9.74 TG(53:7) LipidMaps Bulk ID TG 54:0; [M+NH4]+@11.25 11.25 TG(54:0) LipidMaps Bulk ID TG 54:1; [M+NH4]+@11.04 11.04 TG(54:1) LipidMaps Bulk ID TG 54:2; [M+NH4]+@10.83 10.83 TG(54:2) LipidMaps Bulk ID TG 54:3; [M+NH4]+@10.62 10.62 TG(54:3) LipidMaps Bulk ID TG 54:4; [M+NH4]+@10.42 10.42 TG(54:4) LipidMaps Bulk ID TG 54:5; [M+NH4]+@10.20 10.2 TG(54:5) LipidMaps Bulk ID TG 54:6; [M+NH4]+@10.07 10.07 TG(54:6) LipidMaps Bulk ID TG 54:7; [M+NH4]+@9.88 9.88 TG(54:7) LipidMaps Bulk ID TG 54:8; [M+NH4]+@9.69 9.69 TG(54:8) LipidMaps Bulk ID TG 55:1; [M+NH4]+@11.15 11.15 TG(55:1) LipidMaps Bulk ID TG 55:3; [M+NH4]+@10.75 10.75 TG(55:3) LipidMaps Bulk ID TG 55:6; [M+NH4]+@10.24 10.24 TG(55:6) LipidMaps Bulk ID TG 55:7; [M+NH4]+@10.07 10.07 TG(55:7) LipidMaps Bulk ID TG 56:0; [M+NH4]+@11.50 11.5 TG(56:0) LipidMaps Bulk ID TG 56:1; [M+NH4]+@11.27 11.27 TG(56:1) LipidMaps Bulk ID TG 56:10; [M+NH4]+@9.66 9.66 TG(56:10) LipidMaps Bulk ID TG 56:2; [M+NH4]+@11.06 11.06 TG(56:2) LipidMaps Bulk ID TG 56:3; [M+NH4]+@10.86 10.86 TG(56:3) LipidMaps Bulk ID TG 56:4; [M+NH4]+@10.71 10.71 TG(56:4) LipidMaps Bulk ID TG 56:5; [M+NH4]+@10.53 10.53 TG(56:5) LipidMaps Bulk ID TG 56:6; [M+NH4]+@10.34 10.34 TG(56:6) LipidMaps Bulk ID TG 56:7; [M+NH4]+@10.21 10.21 TG(56:7) LipidMaps Bulk ID TG 56:8; [M+NH4]+@9.96 9.96 TG(56:8) LipidMaps Bulk ID TG 56:9; [M+NH4]+@9.82 9.82 TG(56:9) LipidMaps Bulk ID TG 57:3; [M+NH4]+@11.01 11.01 TG(57:3) LipidMaps Bulk ID TG 57:6; [M+NH4]+@10.52 10.52 TG(57:6) LipidMaps Bulk ID TG 57:8; [M+NH4]+@10.19 10.19 TG(57:8) LipidMaps Bulk ID TG 58:1; [M+NH4]+@11.52 11.52 TG(58:1) LipidMaps Bulk ID TG 58:10; [M+NH4]+@9.89 9.89 TG(58:10) LipidMaps Bulk ID TG 58:11; [M+NH4]+@9.75 9.75 TG(58:11) LipidMaps Bulk ID TG 58:12; [M+NH4]+@9.60 9.6 TG(58:12) LipidMaps Bulk ID TG 58:2; [M+NH4]+@11.29 11.29 TG(58:2) LipidMaps Bulk ID TG 58:3; [M+NH4]+@11.09 11.09 TG(58:3) LipidMaps Bulk ID TG 58:4; [M+NH4]+@10.91 10.91 TG(58:4) LipidMaps Bulk ID TG 58:5; [M+NH4]+@10.77 10.77 TG(58:5) LipidMaps Bulk ID TG 58:6; [M+NH4]+@10.57 10.57 TG(58:6) LipidMaps Bulk ID TG 58:7; [M+NH4]+@10.40 10.4 TG(58:7) LipidMaps Bulk ID TG 58:8; [M+NH4]+@10.26 10.26 TG(58:8) LipidMaps Bulk ID TG 58:9; [M+NH4]+@10.11 10.11 TG(58:9) LipidMaps Bulk ID TG 60:10; [M+NH4]+@10.18 10.18 TG(60:10) LipidMaps Bulk ID TG 60:11; [M+NH4]+@10.07 10.07 TG(60:11) LipidMaps Bulk ID TG 60:12; [M+NH4]+@9.85 9.85 TG(60:12) LipidMaps Bulk ID TG 60:13; [M+NH4]+@9.69 9.69 TG(60:13) LipidMaps Bulk ID TG 60:5; [M+NH4]+@10.98 10.98 TG(60:5) LipidMaps Bulk ID TG 60:7; [M+NH4]+@10.67 10.67 TG(60:7) LipidMaps Bulk ID TG 60:8; [M+NH4]+@10.52 10.52 TG(60:8) LipidMaps Bulk ID TG 60:9; [M+NH4]+@10.34 10.34 TG(60:9) LipidMaps Bulk ID TG 62:13; [M+NH4]+@9.89 9.89 TG(62:13) LipidMaps Bulk ID lysoPC 14:0; [M+H]+@1.07 1.07 LPC(14:0) LipidMaps Bulk ID lysoPC 15:0; [M+H]+@1.25 1.25 24779458 LMGP01050016 LipidMaps lysoPC 16:0; [M+H]+@1.62 1.62 LPC(16:0) LipidMaps Bulk ID lysoPC 16:1; [M+H]+@1.22 1.22 LPC(16:1) LipidMaps Bulk ID lysoPC 17:1; [M+H]+@1.41 1.41 LPC(17:1) LipidMaps Bulk ID lysoPC 18:0; [M+H]+@2.41 2.41 LPC(18:0) LipidMaps Bulk ID lysoPC 18:1; [M+H]+@1.78 1.78 LPC(18:1) LipidMaps Bulk ID lysoPC 18:2; [M+H]+@1.37 1.37 LPC(18:2) LipidMaps Bulk ID lysoPC 18:3; [M+H]+@1.10 1.1 LPC(18:3) LipidMaps Bulk ID lysoPC 19:0; [M+H]+@2.87 2.87 24779472 LMGP01050041 LipidMaps lysoPC 20:0; [M+H]+@3.30 3.3 24779473 LMGP01050045 LipidMaps lysoPC 20:1; [M+H]+@2.56 2.56 LPC(20:1) LipidMaps Bulk ID lysoPC 20:2; [M+H]+@1.93 1.93 52924053 LMGP01050132 LipidMaps lysoPC 20:3; [M+H]+@1.53 1.53 LPC(20:3) LipidMaps Bulk ID lysoPC 20:4; [M+H]+@1.37 1.37 LPC(20:4) LipidMaps Bulk ID lysoPC 20:5; [M+H]+@1.03 1.03 11757087 LMGP01050050 LipidMaps lysoPC 22:0; [M+H]+@4.26 4.26 24779479 LMGP01050053 LipidMaps lysoPC 22:4; [M+H]+@1.77 1.77 52924039 LMGP01050124 LipidMaps lysoPC 22:5; [M+H]+@1.50 1.5 LPC(22:5) LipidMaps Bulk ID lysoPC 22:6; [M+H]+@1.27 1.27 10415542 LMGP01050056 LipidMaps lysoPC 24:0; [M+H]+@5.14 5.14 24779481 LMGP01050057 LipidMaps lysoPC 24:1; [M+H]+@4.31 4.31 53480477 LMGP01050144 LipidMaps lysoPC 26:0; [M+H]+@5.96 5.96 lysoPC 26:0 LipidBLAST plasmenyl-PC 18:0; [M+Na]+@1.81 1.81 PC(P-18:0) LipidMaps Bulk ID plasmenyl-PC 36:4; [M+Na]+@6.57 6.57 PC(P-36:4) LipidMaps Bulk ID plasmenyl-PC 38:3; [M+Na]+@7.08 7.08 PC(P-38:3) LipidMaps Bulk ID plasmenyl-PC 44:4; [M+Na]+@8.40 8.4 plasmenyl-PC 44:4 LipidBLAST plasmenyl-PE 32:0; [M+H]+@7.09 7.09 PE(P-32:0) LipidMaps Bulk ID METABOLITES_END #END