#METABOLOMICS WORKBENCH araskind_20170619_114731 DATATRACK_ID:1005 STUDY_ID:ST000708 ANALYSIS_ID:AN001102 PROJECT_ID:PR000505 VERSION 1 CREATED_ON July 2, 2017, 11:22 am #PROJECT PR:PROJECT_TITLE Subfertility Study PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Assess the relative efficacy of a very low energy diet (VLED) using liquid meal PR:PROJECT_SUMMARY replacement vs. standard of care dietary counseling and education (DCE) on the PR:PROJECT_SUMMARY metabolic effects of weight reduction in the obese, subfertile population and PR:PROJECT_SUMMARY assess ovulation and time to conception in these women. PR:INSTITUTE University of Michigan PR:DEPARTMENT UMich Internal Medicine PR:LABORATORY Burant Lab PR:LAST_NAME Burant PR:FIRST_NAME Chuck PR:ADDRESS 1500 E. Medical Center Drive Ann Arbor, MI 48109 PR:EMAIL burantc@umich.edu PR:PHONE 734 615-3481 #STUDY ST:STUDY_TITLE Metabolic effects of weight reduction of very low energy diet vs dietary ST:STUDY_TITLE counseling ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY The goal of the study is to assess the relative efficacy of a very low energy ST:STUDY_SUMMARY diet (VLED) using liquid meal replacement vs. standard of care dietary ST:STUDY_SUMMARY counseling and education (DCE) on the metabolic effects of weight reduction in ST:STUDY_SUMMARY the obese, subfertile population and assess ovulation and time to conception in ST:STUDY_SUMMARY these women. Subfertile women were recruited for this study. They completed an ST:STUDY_SUMMARY OGTT at baseline and again after completing a very low energy diet intervention. 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 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 SU0013520 S00020310 GROUP:VLED | VISIT:visit 1 SUBJECT_SAMPLE_FACTORS SU0013520 S00020311 GROUP:VLED | VISIT:visit 2 SUBJECT_SAMPLE_FACTORS SU0013522 S00020312 GROUP:VLED | VISIT:visit 1 SUBJECT_SAMPLE_FACTORS SU0013522 S00020313 GROUP:VLED | VISIT:visit 2 SUBJECT_SAMPLE_FACTORS SU0013524 S00020314 GROUP:Standard | VISIT:visit 1 SUBJECT_SAMPLE_FACTORS SU0013524 S00020315 GROUP:Standard | VISIT:visit 2 SUBJECT_SAMPLE_FACTORS SU0013526 S00020316 GROUP:Standard | VISIT:visit 1 SUBJECT_SAMPLE_FACTORS SU0013526 S00020317 GROUP:Standard | VISIT:visit 2 SUBJECT_SAMPLE_FACTORS SU0013528 S00020318 GROUP:Standard | VISIT:visit 1 SUBJECT_SAMPLE_FACTORS SU0013528 S00020319 GROUP:Standard | VISIT:visit 2 SUBJECT_SAMPLE_FACTORS SU0013530 S00020320 GROUP:VLED | VISIT:visit 1 SUBJECT_SAMPLE_FACTORS SU0013530 S00020321 GROUP:VLED | VISIT:visit 2 SUBJECT_SAMPLE_FACTORS SU0013532 S00020322 GROUP:VLED | VISIT:visit 1 SUBJECT_SAMPLE_FACTORS SU0013532 S00020323 GROUP:VLED | VISIT:visit 2 SUBJECT_SAMPLE_FACTORS SU0013534 S00020324 GROUP:VLED | VISIT:visit 1 SUBJECT_SAMPLE_FACTORS SU0013534 S00020325 GROUP:VLED | VISIT:visit 2 SUBJECT_SAMPLE_FACTORS SU0013536 S00020326 GROUP:Standard | VISIT:visit 1 SUBJECT_SAMPLE_FACTORS SU0013537 S00020327 GROUP:VLED | VISIT:visit 1 SUBJECT_SAMPLE_FACTORS SU0013537 S00020328 GROUP:VLED | VISIT:visit 2 SUBJECT_SAMPLE_FACTORS SU0013539 S00020329 GROUP:Standard | VISIT:visit 1 SUBJECT_SAMPLE_FACTORS SU0013539 S00020330 GROUP:Standard | VISIT:visit 2 SUBJECT_SAMPLE_FACTORS SU9999996 S00020455 GROUP:POOLED | VISIT:POOLED #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 S00020310 S00020311 S00020312 S00020313 S00020314 S00020315 S00020316 S00020317 S00020318 S00020319 S00020320 S00020321 S00020322 S00020323 S00020324 S00020325 S00020326 S00020327 S00020328 S00020329 S00020330 Factors GROUP:VLED | VISIT:visit 1 GROUP:VLED | VISIT:visit 2 GROUP:VLED | VISIT:visit 1 GROUP:VLED | VISIT:visit 2 GROUP:Standard | VISIT:visit 1 GROUP:Standard | VISIT:visit 2 GROUP:Standard | VISIT:visit 1 GROUP:Standard | VISIT:visit 2 GROUP:Standard | VISIT:visit 1 GROUP:Standard | VISIT:visit 2 GROUP:VLED | VISIT:visit 1 GROUP:VLED | VISIT:visit 2 GROUP:VLED | VISIT:visit 1 GROUP:VLED | VISIT:visit 2 GROUP:VLED | VISIT:visit 1 GROUP:VLED | VISIT:visit 2 GROUP:Standard | VISIT:visit 1 GROUP:VLED | VISIT:visit 1 GROUP:VLED | VISIT:visit 2 GROUP:Standard | VISIT:visit 1 GROUP:Standard | VISIT:visit 2 CE(16:0); [M+NH4]+@10.99 26667.35597 22027.92587 20568.87006 17798.4226 15474.23166 21999.47557 29188.86669 29972.84311 25290.49627 18903.22421 23654.96792 16016.18168 15967.12586 27357.19387 32657.76482 16951.11339 28827.05743 20496.98916 18919.68874 26631.54448 18635.24761 CE(16:1); [M+NH4]+@10.71 17496.20879 11638.17292 14067.12976 11274.07309 6895.456309 7580.351515 3774.811848 14594.88227 12818.9539 11850.51504 10281.50164 11446.38699 7054.041606 7886.81889 13093.32351 7252.100511 16773.19287 3259.360139 6837.541994 12548.63928 11294.60857 CE(18:0); [M+NH4]+@11.41 9562.608542 18439.63449 13906.79515 10382.4688 6213.752327 12734.28694 11405.68895 9031.073618 7348.125177 10498.67448 14606.72511 10305.16605 12290.65301 7454.097282 9171.560002 13772.18551 11191.13631 4076.107757 16375.81849 13284.44319 10757.8332 CE(18:1); [M+NH4]+@10.95 258101.7558 411338.7889 248956.694 351589.4507 266450.9737 349767.3221 290565.5171 345292.4611 284773.2421 276940.6311 423836.4435 262626.3681 242171.0383 271104.7308 322194.4836 326856.5902 267472.1568 217851.2248 272260.5992 265497.2538 394890.0022 CE(18:2); [M+NH4]+@10.79 2614733.201 2462148.716 2581264.318 3074703.182 2116331.789 2683792.965 2464514.607 2632541.212 2893203.785 2873622.672 2922205.029 2693972.214 2393802.507 2907770.51 2695705.72 2816155.064 2179345.312 2061826.85 2242031.508 3182756.943 3541010.825 CE(18:3); [M+NH4]+@9.30 853.5316824 215.7832064 2260.367938 1972.696167 2318.094523 2757.406081 278.9834388 918.1071559 2244.48952 1272.831525 1193.08757 3028.405602 2028.475023 2523.109182 3048.229123 4314.214978 1589.479364 526.0491667 1790.427342 1613.887441 2727.046477 CE(18:3); [M+NH4]+@10.52 125375.0954 109107.4391 144550.4658 143052.3868 96059.60874 78959.93661 175857.3124 220474.3213 208136.9979 124689.1628 123442.9415 152238.8734 217350.6844 205940.6876 277765.0805 170922.8159 119479.8572 112907.1665 88747.61539 184477.856 294304.0233 CE(20:1); [M+NH4]+@11.34 3828.561402 3016.149647 3744.777927 3277.77708 1253.411674 1970.773764 2580.490338 2206.390114 4018.982884 3078.5193 1590.916383 3406.57866 1837.722704 2164.691719 3009.592179 3051.180878 2428.592742 1496.737414 2824.729643 2553.457922 3622.623213 CE(20:2); [M+NH4]+@11.10 29779.20312 26681.01024 14448.17405 20756.97498 26246.76793 23620.90458 23301.35049 24234.57529 25121.42627 16770.46414 28420.17606 29419.87836 19040.76866 30605.99512 31443.60057 30676.54788 15145.45255 15821.99316 22593.38735 23218.70645 30826.40768 CE(20:3); [M+NH4]+@10.80 194016.6938 186927.6208 173310.1135 172387.6414 90726.69094 104896.3533 188457.2308 172181.1316 212655.2565 178958.0124 102499.5398 171395.672 148632.3116 226799.2234 177426.6443 148625.9971 106449.1116 85631.82029 112092.9644 220961.8894 277275.8413 CE(20:4); [M+NH4]+@10.61 333138.8768 380814.3364 315515.3621 512985.5309 102821.0581 121907.519 766125.1862 642851.0853 592479.029 590482.1534 195640.7676 405663.9844 351356.2024 537168.7429 361474.9267 338139.2778 174141.3479 214617.739 459970.9818 905611.8025 859567.3043 CE(20:5); [M+NH4]+@10.46 31416.1427 23724.89521 23245.64701 26726.00689 18691.70831 21554.04142 60924.37935 50038.04104 48559.66501 29506.35239 21324.49615 23188.79199 48070.88129 52999.88644 66243.82308 69038.17997 18932.77919 13948.51761 21802.26267 75709.20289 126692.8585 CE(22:4); [M+NH4]+@10.91 6257.270687 13162.50875 5386.276566 4755.875601 5910.198361 4456.061233 9578.537262 9162.522711 8318.232623 9179.467118 6675.573488 11217.29428 6957.045985 5050.250097 6675.269528 14125.0411 5320.032448 3764.56843 10580.34047 8476.216595 5938.502013 CE(22:6); [M+NH4]+@10.53 85770.80614 117784.7739 95758.77821 207783.7036 57196.81346 95983.30341 227124.1185 160255.6394 136431.5966 154288.5584 79782.47572 146733.0615 123785.2928 248287.8018 91784.30218 140422.2996 50230.08912 75879.16099 142659.8986 214176.1695 230992.6219 DG 30:0; [M+NH4]+@7.38 6149.815342 4960.965226 5350.519928 2228.621741 18628.49224 33015.72816 1051.368078 4187.778251 3407.140592 3855.859489 13502.67852 2028.289739 1598.309314 2452.724249 8278.465129 10403.88848 25099.16152 5258.491565 3259.555389 1770.87049 1363.254684 DG 31:0; [M+NH4]+@7.61 690.3645635 585.1991305 479.6038473 1818.376466 819.3966875 2681.646884 104.3195784 897.8290683 596.9364031 856.7439567 956.5365336 992.8460271 354.3457304 534.5249325 1682.414851 1825.160331 5810.07121 670.5773138 673.3544989 576.8204337 405.2915178 DG 32:0; [M+NH4]+@7.93 18158.1978 8480.692841 12322.68367 13598.35938 78104.54119 75647.71487 6012.440298 5131.184295 4181.612713 8005.58918 37150.94249 6952.338585 8670.935136 5738.341967 19279.40208 19880.02768 87419.71279 14118.78426 11597.64182 5765.54784 8065.542784 DG 32:1; [M+NH4]+@7.51 22814.23512 9405.371788 20387.8472 8696.876965 64591.90492 69708.82024 4508.130828 14164.02979 7400.930728 13979.72937 59067.73392 11178.7111 11883.10017 6942.65466 33643.38418 33393.93168 79938.39246 14304.3209 10164.48828 6676.854328 7902.795204 DG 32:2; [M+NH4]+@7.07 7470.365329 6629.980049 10534.8147 6397.760026 27481.47747 22975.00986 2577.247418 4746.98299 4447.76504 4916.740616 26821.16673 6291.850161 9320.569828 6996.222151 12908.64907 13938.0478 41042.33849 8514.90759 3892.268484 4014.966469 2208.435065 DG 34:0; [M+NH4]+@8.41 14117.14887 8687.239268 13023.72615 10682.39481 49201.20548 71009.79602 6403.777672 10037.21347 4727.991503 8010.316393 35005.46149 10380.8326 8821.363297 6569.384075 14393.99479 13683.39616 54078.76512 11554.94303 11281.11182 9092.917462 10628.54519 DG 34:2; [M+NH4]+@7.56 110089.1938 72157.85338 90418.16755 82963.73156 454031.4117 351567.394 32569.90847 65190.87477 35969.43478 83969.02739 250535.7919 86227.84057 63937.24971 62740.58659 135069.2283 153905.3413 345896.077 137693.742 85235.41617 22592.977 24603.03743 DG 34:3; [M+NH4]+@7.18 19528.14438 14969.68106 20772.47092 17159.49224 56934.80595 55954.65884 4910.22993 14935.05718 14069.26075 13764.40918 48884.09715 16550.9923 13268.88294 14549.1189 31404.59222 31513.93794 47363.52699 33603.45042 13292.87794 5675.148443 4642.19332 DG 35:1; [M+NH4]+@8.28 3372.406488 5287.113255 4942.471413 3192.947968 4978.994476 7989.400123 2503.635267 2134.295078 2355.454754 2276.285002 9496.756228 4108.698141 2821.828354 1106.9337 7871.176996 5221.7399 12199.39023 3914.971664 3777.421791 3189.093057 1124.843974 DG 35:2; [M+NH4]+@7.87 3034.025277 3967.745663 6319.527558 4023.57601 5914.053224 8881.653392 471.5346619 2639.871209 2274.484138 5126.196123 8641.784456 2412.961845 2614.636341 1995.476906 6347.609239 3754.698626 11416.42928 3305.018929 3498.847132 1054.266242 1871.786533 DG 36:0; [M+NH4]+@8.87 4132.889572 5746.262824 4380.156962 5382.710456 9831.639417 15670.55021 4126.064488 4891.73335 5704.244386 7339.412405 8987.529772 4068.167018 6793.116507 2787.371112 7155.648441 9169.046408 11492.60545 7531.391037 6839.094575 6550.077734 6733.622515 DG 36:1; [M+NH4]+@8.40 30036.06427 24897.89368 34950.39956 26527.86007 127728.1949 198332.8095 16108.08124 17688.24402 15075.6958 22510.74103 103951.6611 26538.31618 37515.24539 17962.31304 38771.65932 54638.2792 131635.1314 27637.94081 27217.69587 13614.97744 22469.61396 DG 36:2; [M+NH4]+@7.98 379850.2266 283303.8623 382582.6753 440651.3989 730167.9385 1134361.696 163214.4921 235907.7439 188115.3261 344667.2577 670604.0223 408362.3299 285114.1106 242652.4396 451358.8874 656563.5167 800512.0742 253124.9317 382041.2022 74303.51885 84786.21262 DG 36:3; [M+NH4]+@7.66 126875.7011 103315.0234 153283.0189 146081.4888 439145.6093 383381.7271 56013.52172 104863.2615 56410.62861 116021.7674 261780.0169 142789.5473 99299.20925 141068.9914 178968.1116 253605.1315 310258.2526 193846.0726 137079.7772 25988.55674 19905.88784 DG 36:4; [M+NH4]+@7.40 107486.4546 68743.53787 114148.5918 125708.3966 476058.4487 321661.6551 37880.88518 67936.89664 81341.31626 95275.50999 193623.9881 126374.8044 82503.1764 189792.2598 171837.62 181505.1312 250586.7813 265659.256 101809.3679 19361.57001 27982.01321 DG 36:5; [M+NH4]+@6.96 9516.435234 11627.28577 17390.23338 18947.0984 55338.4411 46948.36781 3435.240281 10436.75738 9684.383917 14538.01888 31516.97468 7351.589025 15977.29286 12080.65313 31997.66407 27592.8319 48055.45837 31927.80368 9626.120877 5275.693803 1231.021816 DG 38:2; [M+NH4]+@8.55 2928.941079 4853.600842 6855.914783 8502.644688 11099.16541 12176.91137 3463.307522 4736.024037 2990.443681 3818.40511 10112.66789 5478.881065 3727.123316 3351.952026 5354.365956 5799.7496 13383.19138 2400.130497 4728.46639 2801.473469 1965.403439 DG 38:3; [M+NH4]+@8.21 7456.626951 4877.512744 8179.168017 10008.61527 10443.7912 15293.83055 2513.038612 6158.896647 3786.874629 5521.837936 9556.157476 12863.34017 4726.066314 5216.303804 14016.55582 11164.14397 15305.0641 5995.711014 6009.139116 3940.219376 3157.243272 DG 38:4; [M+NH4]+@7.84 10832.89167 5253.568642 6844.965558 15808.63185 26268.69351 31177.88627 7107.484583 6118.024615 8189.98925 7322.292257 14844.63253 8687.112188 12438.97982 6750.783997 21173.00688 23889.86551 29760.93007 11480.16655 8539.861992 5992.534515 6098.709591 DG 38:5; [M+NH4]+@7.61 13477.15744 10047.14421 22000.57816 31862.4299 70483.47127 48506.46806 9298.164088 14327.8069 9359.680642 9145.870522 38989.01344 13186.38155 15866.89767 18990.35903 28786.52592 33293.16007 75791.44045 18338.18557 18164.0762 4585.438702 6079.987751 DG 38:6; [M+NH4]+@7.24 10256.79304 5291.669291 10302.30469 19244.60552 57154.69665 51063.65702 7991.182029 8428.542679 7341.416113 9342.037253 18702.42111 10165.77358 8641.087602 16689.4138 20756.97145 20992.65304 39300.98383 20083.19361 12977.6404 5121.432 5886.148744 DG 40:5; [M+NH4]+@8.07 1691.102926 1993.407233 4820.740891 5743.976164 10650.43962 6781.117554 1602.363945 2066.243627 1253.682273 3876.875427 13252.46186 2730.017994 1877.209555 4346.913631 4295.561876 2975.62845 8511.491434 1681.86391 5242.627941 1208.656129 880.3050464 DG 40:6; [M+NH4]+@7.77 3200.806018 1349.400039 2363.052157 5344.795102 9249.735489 14095.0847 1834.795113 2126.281857 1246.349688 4859.049489 7591.030614 3307.569407 2335.27022 3605.786126 9007.727013 12122.58906 9358.265142 3453.035626 5199.927157 1512.066199 1105.761776 DG 40:7; [M+NH4]+@7.55 5545.055244 7262.011331 4216.378958 14519.88756 26447.24177 30878.67128 2938.075123 3419.697787 5517.945757 6181.988469 14415.80088 7421.287043 7944.566124 9316.594918 10655.44875 18232.25024 13307.18984 3987.121961 3662.989713 1267.37252 692.7741187 MG 17:0; [M+Li]+@3.14 23924.15282 24950.44131 19836.91453 37909.62992 43227.2716 28454.00212 22922.83034 29962.39967 23213.51378 22480.71313 31031.76979 24113.76722 22871.48041 32751.45712 22285.16026 34872.26907 21667.327 17596.59206 31572.87327 17975.30401 28295.49391 PC 28:0; [M+Na]+@5.22 1156.157452 2207.770582 1236.362667 664.3824135 1804.543088 2778.930646 2268.974248 1748.853808 1426.498571 837.8132632 2993.570533 2175.809399 2470.880097 1277.435078 2713.547305 1772.726834 6560.115644 1640.972693 854.4394082 3903.541536 4050.866663 PC 30:0; [M+Na]+@5.96 7590.92474 12830.82439 6711.76035 10892.17749 6170.376359 12423.14096 5530.619079 12832.02773 3838.728837 7277.186332 10540.2941 6557.984958 9518.484673 6227.627477 8603.185901 5378.443523 16424.93263 9577.011196 8826.530964 13170.03514 15557.71641 PC 31:0; [M+Na]+@5.48 5607.49637 4323.265427 5210.617749 7185.198879 3003.856331 8914.33838 4344.216477 6972.518186 7013.538452 4735.140873 11139.07214 3651.40739 9115.826298 5307.775095 10419.15513 6642.616337 12125.10872 7548.402918 4236.233284 9662.58186 11259.4902 PC 31:1; [M+Na]+@5.29 3586.611488 1694.183258 4094.544059 2507.281082 2852.627658 2121.024812 2237.161679 2638.649568 3288.612825 3466.688431 2786.707218 2653.998286 4473.737184 4050.077519 3008.404276 5502.175499 2808.869274 1378.699555 2092.435102 5512.003306 4375.536746 PC 33:2; [M+Na]+@5.96 14607.31359 13195.1855 13814.45535 13962.81856 4069.343745 11868.15573 11592.18905 12939.50174 7335.532879 14933.83657 12489.0583 16040.18837 11381.03614 8529.035596 16090.40306 14223.51466 8173.135346 8917.480471 16048.05624 18189.63229 14495.22071 PC 33:3; [M+H]+@5.61 6325.494895 4348.915507 3869.672604 5799.166963 3254.735936 10131.20837 4699.55249 4750.65649 9996.799489 3796.118419 10940.4371 5429.877858 8797.420974 3196.412818 8509.247062 6688.875096 10475.8174 7379.555874 4612.100171 7974.475658 10106.69184 PC 34:1; [M+H]+@6.64 14592428.48 15514950.84 15839832.99 23289547.45 17684745.09 22197840.99 13070581.43 14110057.62 13353616.75 16508941.05 22940789.23 16907786.8 15427978.41 15778723.31 20480469.14 21310724.12 21068511.64 9205957.924 13508008.09 16444712.99 19238860.19 PC 34:4; [M+H]+@6.06 82847.99042 56033.76219 53000.69411 48815.66079 54407.92962 62530.7269 45340.35363 93786.64707 42742.06914 48390.44191 71638.00802 54296.11854 60683.7253 54385.26021 75837.99861 53813.91523 58032.1471 32243.36369 48150.28021 85873.10368 93291.93454 PC 35:5; [M+H]+@5.48 4331.231539 5297.963812 5265.034666 464.6189555 4889.413544 6826.114627 4257.937938 2466.465236 4551.321947 4803.635893 9248.701988 7811.013116 5875.16286 5761.504176 17773.05323 14277.13911 8259.627181 3849.324072 2196.851578 4396.061826 6542.374876 PC 36:2; [M+H]+@6.84 16963254.25 14914998.76 16300448.63 15075434.84 21952776.8 24436262.86 13271276.29 14795926.54 17656745.69 15483405.07 23255249.16 17686761.09 18143592.74 17310283.46 20534951.04 16059142.57 19392996.02 13293799.53 10742702.1 17487213.64 19608069.17 PC 36:3; [M+H]+@6.45 17369244.06 14394443.48 18342346.14 14370930.6 17284419.81 19930988.98 9278490.171 9352955.829 12777380.53 12670278.42 23913610.12 17283218.94 15080951.85 13360610.8 17605659.04 15033776.43 20249246.45 9451038.506 7623196.344 13038580.29 15109292.86 PC 36:7; [M+H]+@5.49 13361.75317 10942.78264 10099.57653 8591.312559 12457.6011 14872.08882 7519.933992 7896.701046 16482.91008 10409.26443 20703.53512 15815.0819 12084.84803 11564.63056 24122.75519 14116.96522 21466.23295 7700.136118 9475.656591 9794.962555 14715.73353 PC 37:4; [M+H]+@7.41 17568.06189 20360.01244 18891.46045 13492.5763 21733.03479 20798.05128 24356.89286 40339.13387 16214.17277 18905.38069 29825.19876 19546.82745 10779.50784 13092.09376 16433.35574 33870.14851 29544.32758 22877.82833 15965.70854 13619.40891 15570.62599 PC 38:4; [M+H]+@6.81 5919996.819 6572834.398 6144082.55 8596564.648 3408650.006 7236957.879 9004800.004 7956277.065 7806089.357 9679040.438 8594530.601 6481520.004 6181097.033 9120758.277 7653901.224 7918847.268 6504077.238 4342802.599 7748343.763 5939968.256 5487253.797 PC 38:6; [M+H]+@6.08 3553325.441 4058542.406 4176667.574 6697244.043 5463451.772 7812226.613 4712584.084 4234090.595 3619227.59 4824318.264 5246786.021 5697006.803 5211179 7418057.915 4575211.97 6777475.521 3901989.322 3328437.105 5695359.971 4105289.799 4346097.281 PC 38:7; [M+H]+@5.80 87196.90213 75777.05692 68765.93601 101139.4665 161693.0387 215363.0014 67288.30017 138474.8706 143240.6691 89325.95791 199288.7993 89722.18738 99803.72262 128502.0102 234180.0965 126779.862 95823.49737 114823.627 128373.7702 125684.0117 96961.40122 PC 38:9; [M+H]+@5.39 4281.787268 3397.223991 3535.11532 4223.570111 5045.811993 5667.181016 2846.983117 5906.805885 5557.723855 4513.981805 6993.643263 5581.510646 6959.380522 7327.716401 9299.211741 8113.788126 4662.436286 6011.082684 2812.648635 5047.947889 7033.912506 PC 40:8; [M+H]+@5.64 45712.46868 33118.01849 47770.66229 77568.12602 82186.37335 112877.671 51840.75754 47654.71379 53513.53363 41371.85399 69077.35125 61059.47153 83706.05032 78815.51643 62270.36804 75963.652 67146.43894 50568.04305 54883.22033 38314.56968 38573.20653 PC 42:10; [M+H]+@5.72 9177.776062 9528.545859 9461.887775 8955.494247 16693.9283 22522.39372 11140.90151 7949.055298 6871.643308 7315.81646 12376.13604 10833.29176 13961.00038 19073.64245 14535.46346 22388.82652 12147.65357 10004.27909 10427.15699 6495.287918 13164.96741 PC 42:9; [M+H]+@6.10 5321.637133 4553.54868 6274.762838 10892.30994 8922.053331 16199.60163 9232.623378 10349.94436 8136.130951 6321.905263 12847.95247 10400.86766 15755.06784 17937.31212 12525.14952 8475.372555 7366.419389 8188.505025 5109.479472 6479.830278 5204.178477 PC 44:4; [M+H]+@8.54 2538.404461 1305.788929 1257.726163 1960.378068 2256.563871 1102.695873 2943.421716 3058.324625 3065.635249 1527.589185 1391.961689 1545.71504 3508.876911 1697.360615 1525.699109 2612.994574 804.0419574 700.1457152 1626.053838 917.0012083 3881.541978 PE 34:1; [M+H]+@6.83 14095.75021 20482.13248 49962.54956 27294.35787 35694.9395 29844.77656 13085.39761 20777.26027 9143.23752 24342.55399 27563.10826 15142.19644 17332.70724 9322.652873 27958.59338 20531.38732 51431.81898 19913.53191 31227.82229 17341.39904 13940.87738 PE 34:2; [M+H]+@6.37 81885.09342 72138.09952 161730.7683 109321.6192 228876.5212 171201.8794 31686.56913 44278.74764 21640.53847 46885.54575 143079.4507 58481.27776 35734.05845 32764.21095 79391.59261 41275.60988 187357.0813 123145.9799 83805.61209 28897.36684 40671.82384 PE 34:3; [M+H]+@6.03 3688.412816 3458.459714 8317.000922 4507.829333 4324.479625 5621.645098 2891.587303 1789.948818 1436.366924 797.440892 5125.95836 1557.046614 2266.963769 1652.035815 3651.560162 2718.556438 7056.015545 6196.17929 4736.876664 3397.504505 1556.961777 PE 36:1; [M+H]+@7.42 33907.94942 30231.65796 57317.97317 24344.4918 131063.8257 122972.8012 19730.121 33905.71336 30723.58246 28082.83598 75739.40412 16169.04065 38874.20114 28631.07888 62177.92001 43220.14073 103444.4338 36926.49358 29405.02064 29390.23573 45016.52677 PE 36:2; [M+H]+@7.03 155360.069 140230.9202 318441.2451 127730.9384 509708.4766 485592.7366 51806.0149 66103.50717 78739.65455 90180.7375 320227.8066 114674.6256 128636.2955 77767.55516 225659.8831 126706.2072 441559.9164 185530.8195 96320.69566 78665.25963 82510.65826 PE 36:3; [M+H]+@6.53 48412.85719 44593.47475 105408.4793 69090.17225 89449.88258 98030.41533 24334.64959 41047.41966 30491.97787 29943.99809 97453.87429 48261.07323 46037.83327 34247.87128 72344.03254 57030.64316 138431.0659 83608.5513 45964.73828 35837.75073 30001.80005 PE 36:4; [M+H]+@6.36 72683.46992 90234.27701 213688.9507 186325.7743 156393.4289 217208.0096 50607.06715 64505.84959 44342.37041 86269.26609 157680.9464 85038.55829 45684.46219 54874.34283 79971.08077 104678.1255 191736.1833 105647.7316 144189.6619 49669.58501 38301.08228 PE 38:3; [M+H]+@7.20 32261.72774 30597.64365 47095.84763 31747.43231 57507.94389 85993.23692 10829.89462 26466.99622 32521.21562 28751.51842 58904.42898 19207.17331 14718.25423 21605.53928 51136.54016 45696.93672 58768.49589 33094.82688 24893.27449 16546.33797 7913.270295 PE 38:4; [M+H]+@6.96 268912.7919 309579.1186 512517.2366 415986.5011 415926.4472 678271.8671 251429.0651 317906.9664 225779.225 252611.847 531439.0191 256586.9501 164805.7165 179486.5417 324498.8817 350372.883 555494.8754 267369.7293 324017.0141 189449.3263 143957.2643 PE 38:5; [M+H]+@6.45 50128.50828 69127.03221 153682.5051 131677.7464 119908.8459 162121.3782 60504.88259 69500.88529 63288.74625 87610.41253 131238.3079 73380.17028 49963.75944 59996.71287 98984.95657 92203.29445 177269.4422 129514.9547 112023.2509 58432.1787 39964.46903 PE 38:6; [M+H]+@6.19 31089.44209 43638.00153 86945.30069 66287.37832 69601.78055 79176.19223 27221.08734 30939.99625 25730.29529 34921.24691 63871.13962 45757.5443 19322.5932 32346.73924 40749.50673 42766.93629 74935.88119 63341.79454 73724.36728 12150.37928 22195.47454 PE 40:5; [M+H]+@7.05 16725.8527 18401.96527 43419.15025 23965.96427 51422.87659 41310.67596 10472.93621 20612.6114 13161.42847 13148.05849 55995.25352 14032.44427 16499.19706 18839.54589 32752.93621 23742.30733 48664.50111 29342.52353 31088.14741 8936.314331 11194.50509 PE 40:6; [M+H]+@6.90 27920.21635 39677.32856 52834.75089 57338.77315 51742.59679 93393.62845 17807.15757 20804.35012 12310.69807 24407.03146 61944.56269 36286.41741 20233.81386 27095.45981 41406.11366 35328.13659 44522.43695 33424.01789 39303.92761 10133.4839 16129.56168 PE 40:7; [M+H]+@6.40 9653.860289 14286.58799 29183.09565 32635.13935 21147.40372 19254.0034 14578.61513 14675.68029 11130.09145 21684.37054 19845.13702 12700.2327 23297.36467 23540.10435 12909.16632 12596.40422 26455.38094 16546.65189 29699.4663 16401.61751 7916.626559 SM 30:1; [M+Na]+@4.31 1344.697828 633.474808 1566.594852 995.0298351 1332.695749 2566.645845 920.8747607 2179.85253 1870.86004 1347.434468 2521.481878 1626.056987 2284.133367 1564.272852 3252.805833 1548.181762 3281.302423 1348.859763 1266.535624 2037.973973 3638.263154 SM 32:0; [M+Na]+@5.34 3827.309285 4456.985343 3946.336983 4641.605205 5116.647236 231.9276334 3237.058261 4008.005442 3946.594223 3622.731478 8813.015418 2295.057659 3862.321841 9196.940279 4190.935451 6128.508396 169.6168227 2466.052811 3606.003385 5085.396349 4711.731418 SM 32:1; [M]+@5.35 550532.6145 583383.0072 579717.637 641074.0768 479985.8551 836801.4927 554783.0042 385719.7188 661773.926 602538.1245 762064.4711 660416.5786 665452.0325 569746.4692 827418.4234 631432.6099 790478.9145 387852.0973 435695.3144 613860.1633 844135.4602 SM 32:2; [M+Na]+@4.51 5401.938202 3648.425664 4963.649379 1961.271121 3424.608436 5744.427598 3363.598098 3075.144615 3684.803185 2647.804389 3628.394438 1928.058169 4549.437805 3611.484383 3138.534795 3086.13753 5151.771378 1814.130469 2360.255255 4281.248723 6560.653407 SM 33:1; [M+Na]+@5.46 39651.29341 56915.02769 42112.96615 64735.06199 25729.30975 43345.82032 44038.13652 42555.86541 55430.37849 60267.82469 50848.49692 55461.86817 48420.73 47015.09076 48519.11056 57585.81121 43689.5345 32178.7726 53711.7283 61680.66379 56220.35439 SM 33:2; [M]+@4.95 5875.13457 10741.23907 10304.45707 8798.578016 6055.579392 9759.91095 7943.484533 5584.720787 9909.286481 13340.24696 11432.25117 7692.079896 9766.511825 8179.413718 9859.562873 7760.62119 13206.55873 6787.662507 8930.311172 6543.690764 9820.362409 SM 34:0; [M+Na]+@6.07 15380.75585 12131.55935 12686.85418 20865.34131 4554.396426 6659.680129 14968.92504 28172.78224 28904.90981 26882.30926 14768.48167 15882.57062 13948.99554 14453.68563 13292.31341 15670.74172 4824.324336 8968.942062 22918.39815 25469.2542 30144.91621 SM 34:1; [M+Na]+@5.78 98979.61593 84417.12182 53097.10125 85203.43798 58680.4479 76897.72604 82554.25998 108901.5745 90242.40374 97216.15387 53136.83821 83810.61946 81920.20573 82623.53519 63023.34864 72920.62035 60184.90338 67154.77641 101169.859 100252.8069 105763.4953 SM 34:2; [M+Na]+@5.24 149432.3724 146070.8097 119742.8143 145562.7904 103238.4272 135163.0174 128059.4668 134671.4919 125355.4534 151514.3256 133935.0842 131738.8338 140324.6962 126205.3064 119405.6275 144085.7486 141244.7134 88439.93625 148155.9258 135296.5716 141420.9001 SM 35:0; [M]+@6.17 26612.61571 42093.53012 19647.02286 45790.58882 11163.83966 27301.23472 35704.03454 67476.37127 19604.38682 35277.86327 29715.96898 36555.32651 34491.76721 21108.97895 26636.81155 37361.33162 15814.74389 19434.2485 25900.54203 48233.40899 39305.24163 SM 35:2; [M+Na]+@5.67 2860.212611 7299.588832 1239.826165 9398.473023 2455.717064 6039.005299 4399.472806 3253.434568 6888.206674 9344.368674 2773.859793 3026.432724 4377.036154 5023.513827 4997.694739 3301.274354 5008.525086 3022.381579 4327.728329 4983.224021 5016.002739 SM 36:1; [M+Na]+@6.53 3418.816976 7141.092078 9261.72598 18614.74614 8374.806891 13287.92234 6615.239329 8184.59455 7918.836738 8838.511819 3001.624583 7660.734221 12077.76153 7080.257448 12329.1167 7504.97129 8112.481463 10460.46067 14805.66384 15108.68564 9906.990197 SM 36:2; [M+Na]+@6.02 69584.63477 131797.2943 56371.99975 164224.6625 58716.49596 86655.35059 105919.114 114050.8552 99001.62904 152166.6683 49254.7286 95908.68324 80448.72876 91004.37309 75624.58314 60147.38584 62061.45061 46932.32645 174802.0513 82234.34866 92285.63826 SM 37:2; [M]+@6.38 7506.095449 25637.27305 18409.32727 28932.81095 10680.48159 20396.07159 19694.10685 11291.74622 17872.48277 26797.26184 16381.16402 21914.7974 14320.2619 15570.0456 18976.78532 14759.87993 18132.90712 14645.12521 24221.27893 14766.56047 15169.60795 SM 38:1; [M+Na]+@7.17 8763.194627 12813.68872 20593.78963 21410.34307 10214.51067 14631.67022 16283.17966 14231.70885 13967.9081 15011.88007 16991.39347 12890.99123 14874.25236 20814.75796 18575.83591 24153.3453 15620.84244 10949.58268 16653.94306 20280.66185 19664.76359 SM 38:4; [M]+@5.74 6120.677354 7283.547008 5295.735726 9378.373927 4078.356889 10184.2277 7378.328181 5810.417862 3749.870297 6591.794759 3651.482378 3704.816211 1755.517539 4973.23101 5087.92105 2916.986458 6423.993813 6668.435182 6679.604284 3568.298317 4555.630156 SM 39:1; [M+Na]+@7.55 26789.03418 16034.65298 31601.29939 31842.17236 24634.09635 31790.56652 18840.26939 22817.27966 22409.30473 31302.9988 28365.87294 21422.99025 30848.02407 36426.8797 39904.36789 35250.16694 33936.06877 24375.07006 27025.66513 24065.45886 24796.03305 SM 40:1; [M+Na]+@7.69 69438.65991 46867.13485 63382.72033 44293.13023 82266.45365 97574.02615 50142.69711 72972.70822 54140.9592 50919.16994 78871.10273 58730.81321 86800.25682 63212.61076 94723.9317 73030.85781 93135.26168 65246.3009 58587.65437 54387.68433 61582.89947 SM 40:2; [M+Na]+@7.22 24667.20217 22451.5179 30868.83108 25804.13641 15930.32702 22113.40455 26050.98465 23148.85775 23882.25828 23422.56018 10811.58415 23202.90272 19685.53222 22417.63056 21053.50023 25671.23369 22358.8783 20107.23976 31250.71717 27565.2776 24040.60305 SM 41:1; [M+Na]+@8.01 112014.4458 93861.35901 102691.8559 112867.1178 97944.70053 126071.2911 87396.73744 85033.94616 80699.77914 101416.2167 116233.0628 82414.02617 110888.8734 98372.9758 127365.0993 115085.4625 120730.2938 89703.56793 93788.74921 84757.56779 97840.87544 SM 41:2; [M+Na]+@7.57 55495.7237 56387.53638 72408.08899 76720.16471 46206.10321 63584.47584 61266.47664 65242.06764 49315.43028 66817.12898 65578.70856 55524.83254 57562.95575 71281.43676 58736.18047 64759.68482 67422.98658 60504.69494 71492.56975 52666.72079 64701.08226 SM 42:0; [M+Na]+@7.87 11153.35356 11960.70543 9049.977886 10373.93478 6147.429264 8412.608895 24003.25698 4902.359944 14800.46852 11662.65702 8332.080167 16781.88834 6164.658617 7610.864765 5843.799984 6095.189842 5653.766349 4054.34579 10711.67478 8366.182155 9001.085337 SM 42:1; [M+Na]+@8.24 131886.7781 118185.0989 128042.8488 136757.8232 135019.8008 157233.2642 137722.1076 167641.8383 113206.7458 153451.01 157675.4734 113193.9777 135272.0783 157067.5817 160836.1599 164893.3636 119091.1294 90880.13073 116096.9386 133930.5844 161105.3046 SM 42:2; [M+Na]+@7.75 103619.7631 117519.4227 109520.7946 157728.5717 109478.3259 136744.0134 130990.0756 132375.8909 105525.0494 147361.2298 147446.8947 149532.5317 131641.6816 130555.6875 135011.9315 143619.7718 121621.0246 99097.927 173847.4646 115152.1731 111162.4158 SM 42:4; [M]+@6.84 71561.08006 125770.3383 91614.36064 133519.0604 26233.98395 61595.28261 104375.1695 90329.8435 81450.81652 131054.3579 68506.18325 67256.93172 57090.04713 76134.91054 55351.69764 62278.96966 48890.76977 45505.27867 121230.8088 96559.56806 90858.51998 SM 42:5; [M]+@6.53 13988.78164 18360.74056 25272.16908 29172.57951 7362.195573 12255.59108 20372.92044 17072.33271 16497.25935 37701.23195 17012.9001 8698.574348 6109.044769 11830.17674 7734.586766 10614.80086 12905.89817 15760.05509 17608.50806 23689.75624 24200.6037 SM 43:1; [M+Na]+@8.45 9388.837302 12854.92076 11528.08609 9324.034938 9946.764108 9485.851029 9886.958767 5836.753421 14789.07652 11005.06499 10614.54429 8775.740626 8952.707961 10352.26636 8919.19486 9045.194697 10403.92354 8439.778621 4818.297603 8323.764104 12397.12033 SM 44:1; [M]+@8.74 3449.03187 2499.25196 3855.425533 4403.667253 5065.978058 7131.386883 4462.5323 4698.47717 5438.707924 5972.034891 5678.256455 3640.632827 3992.351517 3749.909876 4604.502648 7003.489058 4368.064213 1473.69202 4835.011466 6613.373967 9216.871953 SM 44:2; [M]+@8.24 6869.518686 12917.18963 6980.321772 18018.63199 5687.760712 12934.86274 8711.811647 10512.0869 10750.98497 18541.1636 10441.03885 11063.5917 9005.007536 13897.41536 6068.298984 12497.74792 7438.995087 5127.959234 13458.69506 11974.59735 10460.49597 TG 40:0; [M+NH4]+@9.52 4130.817731 7039.268872 6287.741037 6844.271011 36584.3238 70308.96458 5676.358308 4937.631309 4140.982922 5207.150819 24811.834 8916.412581 40519.32591 5243.842623 18937.23503 11276.65828 61360.84369 7819.981138 5248.658108 20048.72518 30973.95521 TG 40:1; [M+NH4]+@9.21 9034.095572 2080.034763 8267.90671 1535.657539 139401.2425 76227.72812 1810.684346 1570.784031 2887.240039 5414.692 32526.4663 2768.015296 17295.29015 2231.123584 23974.98389 4398.552961 99836.94285 17278.40964 3169.60569 8798.904327 24824.70817 TG 42:0; [M+NH4]+@9.80 16504.72515 6203.737706 10402.12968 7562.836026 84067.60416 212766.4066 6926.827721 7058.46694 4168.841326 6837.635443 53126.40011 11394.92903 66736.41619 4378.015535 47967.54254 28244.66284 156211.7733 9486.480521 8567.861029 27282.98504 57938.94068 TG 42:1; [M+NH4]+@9.57 12510.68704 4380.4874 11556.46845 5588.917818 100129.2534 167917.6947 3301.168174 5374.252785 2467.989959 5710.261645 60907.76008 11227.88515 68207.41112 2122.382906 49619.38202 21145.74375 186056.9353 18769.82629 6453.650461 24784.1901 44517.80888 TG 44:1; [M+NH4]+@9.82 66850.17887 19342.65683 49292.16949 16162.4496 243983.2739 493773.1751 15981.46542 31375.02102 12071.32711 18350.31244 260486.0634 39656.4762 202024.68 18309.15919 172801.5943 117329.5 619125.8871 59365.52484 17549.20248 81305.00176 131015.8543 TG 44:2; [M+NH4]+@9.59 30130.01213 12534.45204 35568.0489 12032.56298 217912.5765 311871.1223 8552.609875 17033.56204 12582.68608 15572.62186 147352.8438 21133.53284 130455.5816 18239.10551 98354.25581 47502.57604 365821.6304 64724.02071 10582.76894 33779.81808 75701.6346 TG 46:0; [M+NH4]+@10.30 116746.7183 41354.85074 72024.55127 27713.98832 285988.6808 361878.4427 36868.68413 42896.05795 26947.6541 16857.46902 234185.8037 24095.92327 112215.3661 25637.80189 207607.5406 103215.3224 466653.4187 91208.05402 23157.41291 90653.19724 156322.2861 TG 46:1; [M+NH4]+@10.09 280718.1156 86193.3842 159174.3246 74006.02147 544358.5978 1164019.101 63487.77312 135516.1236 63738.80732 68532.30157 808222.2402 152141.3554 435821.4721 65541.20763 415149.1642 291115.4513 960598.4791 156268.6077 63904.67262 232911.8835 276660.333 TG 46:2; [M+NH4]+@9.84 261521.9233 81539.07302 189789.8735 73776.9139 661269.4798 967631.2637 53341.02827 114669.5661 69182.51035 79641.67618 743699.997 179543.9709 607190.1967 97816.20277 463569.0755 303342.3852 1132072.477 206070.502 64070.75314 142160.7095 217448.0139 TG 46:3; [M+NH4]+@9.63 60434.41109 26858.80259 63382.30144 27937.90433 251668.6629 300703.4261 23412.70913 33932.0975 25169.15685 24970.69238 200639.767 46779.31086 171331.0931 33130.11035 147099.7576 63215.66085 312446.6142 123048.5708 20479.53497 39383.01704 63817.88197 TG 48:0; [M+NH4]+@10.57 296811.3118 111003.506 183081.713 121357.1244 627216.8448 421386.1714 84179.47095 130549.7731 81494.05875 100315.5077 385225.4988 118347.8378 137587.3314 79220.02804 369527.3276 224780.9592 760745.0206 292944.9009 89530.19761 193709.8793 307737.5374 TG 48:1; [M+NH4]+@10.33 1317249.108 488978.0513 948797.0692 493452.8396 2881580.777 2627126.677 356075.0766 619653.8833 490477.2814 476967.4149 2261348.616 634940.9057 979246.8477 357933.1177 1462668.965 1033271.443 3111376.198 1051520.63 461921.9619 639281.5338 928385.3941 TG 48:2; [M+NH4]+@10.12 1330423.816 545597.3777 963029.2464 457898.089 2176815.36 3183479.382 327750.0885 656034.8332 443741.8165 591350.5703 2903970.342 719375.9992 1339586.403 491044.7081 1601989.226 1281932.664 3088871.391 1145275.348 406429.2289 680377.0919 754847.4855 TG 48:3; [M+NH4]+@9.89 734364.2935 293035.4588 528396.7273 315076.1024 1169899.322 1347395.031 135358.8669 368085.1199 256616.4323 326962.8489 1340930.886 596272.7752 1109306.775 328677.6093 778163.142 771592.9378 1537621.732 769429.6217 229306.3886 233115.2955 311078.0793 TG 49:0; [M+NH4]+@10.70 19960.91766 8141.321234 9346.301752 10754.75344 14374.46728 20947.78247 9127.622695 13872.16693 5187.121765 9123.525647 32653.44064 11078.90388 14143.96053 7109.756825 23044.74096 21363.23721 64105.31049 13783.12377 7967.58889 7354.314785 17522.72569 TG 49:1; [M+NH4]+@10.50 60287.69481 60757.61199 82817.42485 45910.15811 49219.59086 112423.2703 36287.70662 52033.19653 31814.43177 51089.52765 169554.7698 34313.81584 53426.26871 25849.28375 99599.21483 88047.66054 160502.6674 53065.28904 55564.98926 53180.49897 75432.82943 TG 49:2; [M+NH4]+@10.31 80290.71703 73949.55052 82488.10177 55401.28549 45840.87058 117366.1609 38058.6688 60834.10982 45784.94106 61490.15696 133032.8318 46227.66357 74010.37442 34568.70186 103715.1634 117072.8683 174770.5247 50540.55397 57540.48018 58498.90042 61798.68339 TG 49:3; [M+NH4]+@10.08 49630.19478 48407.28522 48162.68337 34401.66008 32203.47799 79765.50761 19610.38228 25312.27357 22087.51885 29355.65971 85756.92944 31360.82382 35603.99899 24946.87894 56877.18836 53449.65038 76069.8057 49089.77411 32897.1418 21262.65447 31100.26901 TG 50:0; [M+NH4]+@10.84 350571.1319 140791.4164 276092.834 103749.2077 453399.1775 601773.3796 146991.3789 209252.9689 105481.6037 132765.7781 1430914.359 95142.12846 305574.7724 53203.4782 694655.017 224733.4212 1551360.054 147901.2451 143467.5818 85075.50677 133507.2636 TG 50:1; [M+NH4]+@10.56 3187346.67 1654027.461 2206823.747 1476122.259 4635857.603 5171618.155 1491465.506 2243755.888 989306.4373 1391931.465 5766262.436 1541626.635 2139045.712 1053404.51 3476517.914 3201976.805 5310509.664 2553545.363 1450707.477 1446414.823 1754400.81 TG 50:2; [M+NH4]+@10.35 4513203.265 3108355.16 4238239.036 3176053.486 5561620.331 4851200.444 2075343.315 3047102.023 2611908.416 3043724.71 6242429.997 3031043.291 3106248.846 2240737.431 4558694.198 4585236.213 6686173.388 3470482.364 2871122.6 2104768.882 2195817.355 TG 50:2; [M+Na]+@10.23 84047.26336 58540.1025 60771.4913 66726.79329 53013.61485 49384.49351 57694.97003 94105.10931 82925.66202 79329.12593 86261.65652 61849.37121 71318.25974 65857.36405 83692.74279 99290.56161 85740.40451 67816.97972 72470.38307 83964.71629 90729.03784 TG 50:3; [M+NH4]+@10.14 3988741.397 2093067.56 2885462.051 2287086.32 3986130.904 4826385.612 1250092.171 2051706.265 2065603.482 2581272.438 5486923.523 2775137.31 2327266.928 2337892.459 3228826.182 3800316.753 5247918.127 3063473.202 2060507.085 1640933.651 1209124.503 TG 50:4; [M+NH4]+@9.94 1167113.76 762067.8493 1303925.616 905938.0387 2304975.826 2228337.876 364466.9061 881302.5457 767592.1105 919595.4822 2249510.125 897926.4261 1109434.275 1110742.725 1584126.526 1590069.006 1937544.478 2254592.315 725016.1108 311313.0309 490395.1357 TG 50:5; [M+NH4]+@9.76 192550.0256 96736.0929 204129.5122 107587.3943 533678.7344 501836.3302 57324.67791 130976.84 116380.6467 124971.6065 384719.3143 141588.3511 309517.2848 200415.2477 389059.0582 269740.1562 515292.9809 621035.6222 94778.02522 52751.00914 81641.38123 TG 51:1; [M+NH4]+@10.73 86390.66464 88111.49898 84855.49124 65153.21161 60197.2203 203250.8468 46675.67553 61783.54617 36490.70844 63705.36963 202980.8444 71152.80988 77839.62874 27474.78237 111388.1277 104646.0466 257382.3193 79178.76266 67305.03588 34188.43776 54903.80012 TG 51:2; [M+NH4]+@10.55 294520.4664 306442.2973 367871.3155 293249.0349 198280.0943 488541.4996 174475.5914 197647.3599 190680.7812 268188.6661 571706.4129 225777.4886 232375.2149 149789.2619 335158.0272 420137.5764 564880.3773 279096.7325 273229.4189 128181.1186 160565.1821 TG 51:3; [M+NH4]+@10.35 227944.037 244692.1303 302345.0389 266697.4755 140351.3721 278531.2326 130691.2334 155207.2026 146261.6833 273292.3317 370321.1017 257848.5891 186755.7286 179527.9071 261653.4852 343412.3583 246570.0195 267991.1354 244498.5223 82116.86045 91749.16049 TG 51:4; [M+NH4]+@10.16 104599.4436 88622.3402 113361.8014 98131.23026 59886.45414 125691.6963 40959.12855 71670.1334 51920.29423 96364.73063 141189.6131 93190.51961 77846.15152 80672.43263 135390.8323 100145.7833 104514.6978 120234.5688 95345.83706 37334.36283 39652.71131 TG 51:5; [M+NH4]+@9.94 19813.47614 14481.92516 30939.6197 24578.70672 32500.90828 44277.90423 9185.754978 16850.38822 17604.8919 22139.13796 45860.55078 18416.1383 28640.79488 25343.03429 35790.98792 36251.84193 32249.51402 56184.71695 22021.67534 14585.63673 12977.45639 TG 52:0; [M+NH4]+@11.07 131337.8405 92126.40333 113852.7323 87621.03198 261152.9468 398607.7926 36072.90968 71780.48843 50035.78458 75586.3609 353129.0829 77435.78473 196825.7941 56150.91688 161310.3442 193356.8298 346113.1328 87920.36522 72253.20479 45933.5895 98114.36089 TG 52:1; [M+NH4]+@10.84 1612018.503 757248.2131 1399479.391 1414456.186 3774062.698 5229882.055 773935.3778 1053407.355 690552.1662 1041596.322 3401202.631 1177018.699 1637763.295 886236.2467 1705740.709 3187187.86 3498902.003 1380970.119 1277139.761 794837.6119 983474.7214 TG 52:2; [M+NH4]+@10.59 8091965.751 7194594.714 7462182.798 8030172.777 8754017.519 9264486.718 5297098.835 6211547.781 5927786.383 7606794.446 10675730.03 8931484.328 7142242.158 6770402.375 7157953.348 9464776.318 9120546.976 6919024.979 8125247.99 4248662.78 3404974.848 TG 52:3; [M+NH4]+@10.41 9384240.2 7941944.662 11044195.7 9946709.682 10998660.7 11535182.32 6971962.213 8942563.558 7468274.473 9771418.335 12510715.88 10450933.78 10100493.59 9594425.126 10546039 12801137.5 11604312.02 10613724.88 10683747.35 4214847.195 4068999.111 TG 52:4; [M+NH4]+@10.22 8177750.468 6104027.288 7640738.93 7626879.257 10235701.65 11338978.51 4331167.004 5779792.181 5415701.443 7966509.097 9924856.425 7924512.831 6407402.328 8732829.264 8377686.762 8526513.978 9218152.129 9010894.961 7831011.309 2585532.438 2319088.822 TG 52:5; [M+NH4]+@10.04 2060820.31 1759900.096 2051632.851 2213676.063 3584186.637 3578500.749 1014730.41 1688713.038 1659252.73 1762582.698 3303798.006 1964065.327 1743991.285 2568578.815 2531822.168 2555152.2 2626638.679 4195760.985 1537799.869 554562.3491 643925.5698 TG 52:6; [M+NH4]+@9.83 348778.1047 182739.8891 340718.7196 273499.4863 682260.787 577505.2174 106146.9326 211372.1668 244967.0005 273089.3131 561238.229 314814.0444 346642.3948 447969.424 540912.1313 527406.5379 607703.0924 925572.536 189471.5709 78179.90025 113731.7352 TG 52:7; [M+NH4]+@9.67 31112.91456 19516.12612 41181.54056 39010.75986 133282.4898 101062.1423 14525.1404 24771.96779 25964.12634 25599.90234 61019.1645 26671.05518 68219.14666 42976.14271 87742.3943 56813.6175 77199.32034 121038.5792 17988.2171 11883.97955 18053.34289 TG 53:0; [M+NH4]+@11.20 23825.30868 24524.73876 14800.79782 24377.47336 9093.525402 12124.64784 25151.07658 32356.10425 17100.40286 35517.45611 17861.37777 20626.86375 49918.18912 32517.72737 25022.28299 26848.85727 24132.73863 12363.84098 8380.711428 22717.26399 20026.32084 TG 53:1; [M+NH4]+@10.96 31530.80209 28832.93985 28718.00612 22761.04392 30286.84412 130818.6527 12504.49977 15432.54068 16177.55286 22265.43481 92609.03598 21666.36103 37565.44537 17177.99824 40451.51441 35345.58314 94162.58736 27934.29157 25144.35219 13122.60074 23239.6708 TG 53:2; [M+NH4]+@10.77 78525.97734 152119.3643 152622.6098 139531.1858 108546.8031 246156.2075 51457.75023 83521.28273 77503.52303 99695.1549 270372.1539 104920.4781 128071.517 80108.70015 140616.8578 173691.7842 218088.8373 95011.13043 102486.6707 58089.03788 60022.28275 TG 53:3; [M+NH4]+@10.57 174171.3419 255591.7277 288226.6415 246530.9029 134300.5008 260163.394 108293.3254 157521.9274 177743.6194 260019.3177 314601.6312 272153.3795 188900.5921 200525.1003 238051.3032 290340.7407 227733.4404 205189.0009 260899.5786 75425.61805 92590.84911 TG 53:4; [M+NH4]+@10.37 85160.73507 118831.0137 136185.5143 109328.5569 61737.79949 95723.67164 51766.94897 83994.78524 93245.97359 109574.8311 151898.1805 127355.8726 106910.6966 133469.5772 117415.2353 128313.7975 98506.54718 146719.1354 127950.3687 46240.78796 54724.28105 TG 53:5; [M+NH4]+@10.20 39990.75595 44943.71495 51028.97978 42366.19908 39412.62439 43569.00445 26024.84126 34567.39871 38975.63246 43732.24413 58489.18318 42850.82035 35425.67713 49885.63744 52876.60061 53931.77497 53328.61047 61886.54642 31880.05815 20028.83783 23706.12317 TG 54:0; [M+NH4]+@11.32 10988.91236 17010.98074 23361.40113 4818.663044 27516.57627 102289.4056 10053.93598 25681.92059 9208.581473 4705.569076 33203.38884 15074.72881 53078.31197 15068.06687 17658.66188 43972.44004 46752.5628 3632.629883 1652.229639 7959.675105 24515.84085 TG 54:1; [M+NH4]+@11.09 204505.0857 109297.3258 117827.6596 181328.4406 448150.7158 875633.5241 43326.6938 119398.1417 100609.9098 86129.6588 440852.3084 177548.789 371455.1952 105103.4515 227256.3331 287962.0338 459018.4865 152522.4728 140140.5993 97043.02809 145297.1483 TG 54:2; [M+NH4]+@10.88 949364.4264 1181717.572 1141197.674 1251036.493 1894557.125 2671594.723 424989.2321 675542.8465 802882.481 952153.9671 2252991.481 1176239.607 1679325.143 785215.6736 1188354.987 1448821.018 1866150.603 759683.6527 836466.3558 568233.4626 697857.1014 TG 54:3; [M+NH4]+@10.67 2177391.943 2223406.723 1965970.005 2479558.37 2432742.991 2295223.563 1014192.084 1320849.673 1590130.671 1636334.104 2444207.535 2464839.27 2607434.755 1917099.67 2161331.505 2462879.259 2373921.613 1606919.911 2340381.433 907366.6528 955242.6749 TG 54:4; [M+NH4]+@10.47 2312957.71 2290980.647 2471566.457 3234998.04 3882433.135 3539400.285 1233616.38 1725206.48 2055555.743 2406092.086 3128425.674 3362445.989 3424006.725 3249799.821 2767250.693 3052729.374 2621834.421 3012257.894 2404032.488 1153617.13 1266737.929 TG 54:5; [M+NH4]+@10.26 1864309.723 1728576.799 2145882.152 2549917.398 3225712.493 2521786.658 930569.0689 1379869.174 1652309.952 1976180.494 2543893.737 2675927.95 2649830.601 3138555.566 2390788.479 2333089.093 2197595.515 2908886.39 2138363.544 885488.779 1007467.878 TG 54:6; [M+NH4]+@10.10 1019901.445 776551.6543 1189558.555 1198417.234 2391084.548 1889872.706 614454.0117 867063.0021 856033.2441 939916.9844 1429385.505 1362260.778 1455656.343 1918710.937 1516233.285 1407809.426 1429486.442 2607473.092 1015829.657 457568.8911 515043.1764 TG 54:7; [M+NH4]+@9.91 387723.2429 245826.4466 399589.04 392424.7262 911420.2683 747251.8779 173723.3342 280294.2016 325363.4593 297982.6251 557609.2098 388136.892 516131.7491 709415.8595 740312.1095 593964.6964 534416.4885 1213933.407 291986.8537 121288.4024 175340.497 TG 54:8; [M+NH4]+@9.76 56041.81965 29473.27579 58155.96977 46517.14213 182884.9204 138339.466 26903.47055 33979.75135 47517.45572 43066.28238 90526.53168 51345.05112 108752.6131 91720.90564 134307.3089 101745.4095 100963.9645 231929.7896 29963.99713 21305.5734 31910.26703 TG 55:0; [M+NH4]+@11.42 780.458031 797.3644821 936.0687188 724.9997551 1750.251804 1803.114259 1058.676108 2588.045278 1217.959514 895.0984447 3372.886672 968.4842224 2563.77604 1790.999997 2528.053127 1104.077035 4286.309188 1075.650641 866.8249668 1260.889683 1445.659202 TG 55:1; [M+NH4]+@11.20 6708.592548 2559.618377 3712.14507 6343.587446 10228.36744 21668.38766 1742.61664 2222.202685 1734.287961 1174.179632 3861.336524 1461.770318 5069.515476 2442.873516 8049.116113 3084.367719 12520.75824 2990.713479 1113.282653 4682.948011 2404.389189 TG 55:3; [M+NH4]+@10.80 11224.18807 20836.50388 13553.62671 20191.93828 11517.16215 30881.21496 6798.007927 9978.905712 9490.609626 1032.693095 34805.0688 15209.66386 19354.08143 12952.52551 21619.03766 12390.62892 27945.4142 13449.1314 24206.83307 11597.62114 12126.62869 TG 55:6; [M+NH4]+@10.32 8312.376852 13439.85395 14789.42471 19963.64243 11410.37176 22263.62762 9382.465426 9552.949769 10180.58078 20797.77367 12379.80631 11998.55248 25470.19164 15807.01875 13121.90155 20302.12089 16966.10787 12841.24848 19377.40012 9312.319534 11613.07004 TG 55:8; [M+NH4]+@9.98 4953.518074 4380.562004 4731.044549 9387.634473 6463.396461 11673.51066 2626.031237 4223.497697 1542.973888 4556.59584 7249.220919 3308.701118 11186.76046 6038.619393 8221.736917 7231.465942 6118.981341 3332.828618 3305.064727 4185.272182 2243.755329 TG 56:0; [M+NH4]+@11.60 83.02988022 87.42303714 720.8196604 2034.111441 6795.180227 5759.055969 667.531952 121.2271438 1180.356801 741.4656807 1387.963384 1340.891915 5105.583954 1274.724415 2578.524922 712.8182414 7111.357356 1798.05669 937.098628 1273.442957 2527.943887 TG 56:1; [M+NH4]+@11.36 7776.153503 4780.444849 7271.821922 8627.845686 57259.77436 49017.90524 1940.815051 9726.342353 7148.121955 6121.025713 25925.29786 4868.183801 54447.01679 6187.273495 28920.63961 12156.82852 36808.55127 11133.81707 9673.519067 12027.90775 9481.267097 TG 56:10; [M+NH4]+@9.71 7418.189074 3305.536401 7631.713268 8537.770885 38952.50802 28593.04609 5139.40431 5081.127886 7499.735508 8832.091682 9631.295037 4300.457298 18779.6594 14916.81786 25461.94104 19062.09018 15723.25681 12288.1367 3924.647071 3538.28488 4972.07156 TG 56:2; [M+NH4]+@11.12 35158.47621 42540.87274 46502.92755 46237.34804 135368.1329 121690.5387 19628.9473 29122.61897 34674.7478 17662.97908 61737.24431 31432.628 108560.2355 39140.62794 69116.45198 51710.02636 100615.1453 25195.75824 35762.59419 29267.10424 36716.2117 TG 56:3; [M+NH4]+@10.92 58699.29603 69580.5706 80844.07154 77041.27229 144171.684 251872.9804 35886.83962 29863.19234 100749.6458 65436.3369 102720.3144 75867.68343 86911.67268 122054.7518 86991.64198 71594.48129 88046.12025 102222.3644 60712.35105 54826.43062 34261.36505 TG 56:4; [M+NH4]+@10.74 102315.0225 90877.65121 101387.1343 147077.1576 121806.7905 152407.0709 54058.07289 57765.51605 77247.73152 121995.8074 117674.6473 96058.28869 124653.9816 104502.6016 112075.5079 123507.7517 126067.4051 68966.6104 102031.8474 58735.31337 76471.64113 TG 56:5; [M+NH4]+@10.58 235105.6139 256975.3795 283700.0344 403721.4247 277536.1512 305582.3187 175758.4594 188881.9758 250408.3361 273578.1144 264796.6868 282171.3273 289107.6257 292268.3947 298519.8121 334554.7859 295801.0604 213955.2398 310434.9954 162596.8738 175383.2843 TG 56:5; [M+Na]+@10.60 23467.77009 25318.57061 15493.95898 36366.49635 16055.52349 12867.65297 35442.01856 20671.58323 31400.52016 34652.68215 11808.77342 30832.81099 26975.52069 34278.98818 33794.08799 26309.78635 21366.32872 15743.4928 39920.66473 18212.4366 27774.39178 TG 56:6; [M+NH4]+@10.40 253314.0252 266893.8992 338512.0477 490044.565 365619.4276 447240.6914 268384.827 281334.8608 337228.6871 335614.9311 347147.0864 348799.8951 445466.8986 460452.2273 444222.47 515463.6033 369546.8954 302703.6576 464117.0471 251109.2456 264333.6831 TG 56:7; [M+NH4]+@10.22 291214.0578 288171.0569 344288.0597 490151.1929 537110.6708 779579.1021 309272.1961 294302.7328 287808.1623 402244.9183 389431.5714 390363.1321 551670.8308 563459.3485 500794.1168 673082.0873 462393.892 306649.668 439736.8787 241745.3303 263753.5426 TG 56:8; [M+NH4]+@10.04 185421.5871 183092.9924 230684.2322 330924.7525 530042.7168 597216.8303 169836.5654 153093.0023 188771.344 258191.6031 291148.9432 192977.2892 385775.5105 443056.9197 375089.4246 432059.0011 307989.0971 258265.4789 232217.1644 117443.3724 169770.8942 TG 56:9; [M+NH4]+@9.86 52561.50894 38071.50623 57850.13676 69035.99888 146330.7395 144998.3755 40724.28549 40024.02287 57249.84757 62941.74215 71540.3359 41663.50813 103874.669 119354.3442 120990.6032 109224.2183 92149.13611 88336.96484 48313.18833 29772.0971 39952.96919 TG 57:2; [M+NH4]+@11.25 1472.943703 2613.982402 4025.470862 2908.137753 11027.98525 13698.48386 1462.409256 5564.798398 929.9381561 3862.519714 7983.511851 3241.312545 5775.216722 1445.767832 3015.288866 4764.09512 6626.678553 2041.030108 3695.829948 1761.935725 3123.476231 TG 57:7; [M+NH4]+@10.32 4450.429593 4607.498996 6052.372889 3325.971077 7008.902781 8622.758201 3017.500349 312.2711866 3799.486975 5194.32463 4655.021629 2975.281016 11537.41392 9398.822915 6144.969315 8042.054146 8483.817722 3153.59203 7024.582486 2539.641807 4335.301358 TG 58:1; [M+NH4]+@11.63 3110.080238 892.5363903 3390.36837 947.5368501 20505.99202 18843.82629 1061.172206 3449.622127 1737.542529 1095.56384 10210.37793 1320.646218 15516.34716 4778.191262 4579.588189 6782.83977 11721.11569 2773.269341 3270.608543 5762.182132 1524.66824 TG 58:10; [M+NH4]+@9.99 27057.67575 20294.07919 35889.22406 52809.91572 71153.7643 87273.59664 33725.1398 27794.63135 35181.1288 40745.68275 42995.18458 22651.97971 61388.65674 71610.01615 64397.42362 62013.79436 57417.70964 34732.37499 31916.19122 22895.83902 29210.455 TG 58:11; [M+NH4]+@9.81 6763.500593 6151.771331 6779.85011 8876.172384 36429.99482 35421.30347 7707.165668 7103.894996 10198.12154 8724.484523 10441.63715 4484.40212 25626.49779 18886.89586 20540.27776 20195.91781 16189.46378 9745.188922 5306.473172 4914.773805 10822.93876 TG 58:12; [M+NH4]+@9.62 1035.49199 1847.203169 576.5391633 391.0434508 13910.66006 8306.982284 822.4169419 532.2368648 2275.611429 477.537788 1978.831949 541.2714785 4786.33711 3709.937449 3388.381443 3561.269196 3385.849332 1253.13778 102.6384145 1362.896441 2158.061198 TG 58:2; [M+NH4]+@11.38 3248.506219 4933.852093 8294.753842 7071.362873 75335.14569 51287.30935 2425.560106 6929.625239 5424.702692 4099.255127 22228.14643 6461.650358 40538.5925 12595.851 15965.89363 11453.15284 21478.48698 6213.361626 3010.325656 9810.219161 6800.014607 TG 58:4; [M+NH4]+@10.96 3180.21166 5460.578766 11160.93921 9697.842832 45920.35755 25849.46787 2980.191055 779.760927 10659.93909 8055.831915 18237.17364 4730.050368 12194.49052 10344.72022 9195.607366 9566.1524 23147.60424 7978.091351 6693.523791 5410.631716 7900.567188 TG 58:5; [M+NH4]+@10.85 18781.65752 17042.06235 14540.055 23331.92491 27144.55537 26034.53849 9018.523336 14743.41967 9053.073986 10773.28615 20965.36809 13920.31472 14789.5492 17074.95697 10579.74141 24159.95347 20959.93917 7265.190899 21273.07099 9632.967142 12172.04592 TG 58:6; [M+NH4]+@10.63 21429.57785 25962.74838 33700.73886 25767.17493 28891.07611 36834.32524 25054.70106 18233.57942 32051.64198 43192.89414 28895.63992 24681.35913 31845.17272 34373.69698 30496.96056 39076.69924 31602.20764 19709.06556 30258.85783 22868.37492 30808.94054 TG 58:7; [M+NH4]+@10.54 30950.89077 33476.41688 56092.81924 55515.5118 35968.09411 88693.81586 39666.53738 28331.66537 39104.33044 46891.61811 45503.07924 36209.19554 80894.5275 65386.2101 49740.68827 58965.75578 54662.26206 30637.9436 34923.81173 32930.37827 48365.90447 TG 58:8; [M+NH4]+@10.35 40559.56752 40123.59806 51804.44985 83155.69224 58186.13091 100376.2063 55721.06011 42582.31292 60839.09454 69561.91316 43782.92226 60345.29735 102506.801 94318.61725 77214.59401 89396.7716 58936.07626 38527.02301 57571.53808 45804.59956 46280.72416 TG 58:9; [M+NH4]+@10.18 37822.94658 43280.44049 52696.1779 74960.55356 71747.04159 109796.087 38842.02957 44345.4129 58005.10749 57962.16071 50804.39557 45080.89976 89696.61103 99327.75584 72443.71356 93161.304 53215.25919 39480.74537 56997.64003 36727.55961 46903.12176 TG 60:1; [M+NH4]+@11.87 654.7966944 412.4334998 1413.526809 456.7465517 4791.33362 4232.212356 322.8212709 845.0613336 289.4108162 131.019451 1059.916598 251.3573524 3711.649278 1097.7339 2964.18172 1125.402677 3455.632066 803.643509 739.630299 1183.412093 1129.362248 TG 60:10; [M+NH4]+@10.25 5338.577441 6432.900886 6962.435959 10640.54465 13619.59616 18989.95852 11217.08636 6124.254677 11838.06365 7422.76976 7168.062704 6969.853512 13956.91064 13363.56972 16782.25095 16567.81975 9294.913781 5476.245349 7550.844836 8992.068046 6433.120571 TG 60:12; [M+NH4]+@9.96 3025.741125 4110.666062 3494.406579 6757.114425 19051.36043 21801.46586 7276.358335 3764.188529 5482.875216 8720.985071 2407.944254 1581.701398 15417.01108 11960.13744 8872.039214 9023.516289 7206.467831 668.8574653 4576.531581 4857.87606 5008.742229 TG 60:13; [M+NH4]+@9.75 867.7044384 493.3658119 1375.03396 1801.328944 5835.626564 4577.47481 927.8354531 753.7668469 1282.759487 1285.253545 1062.826948 461.6304716 3204.71838 2791.491434 893.1870015 2133.268156 584.9035396 462.7448748 1146.21022 410.9937382 740.4977538 TG 60:9; [M+NH4]+@10.37 5664.34831 6209.279212 10028.15583 11515.86354 5279.533166 8568.734055 5352.501188 7573.388789 9334.540906 8210.391325 6046.362055 4909.406875 8302.35601 12022.17513 3561.360356 10659.17607 4991.160484 5442.365086 5506.632979 5790.880399 11344.04362 lysoPC 14:0; [M+H]+@1.01 17216.3769 15644.90125 23863.2938 22144.28291 23124.87355 26643.07849 12404.45551 15644.62316 18486.14757 18448.70905 40282.78659 22009.52393 29834.48171 17928.17733 36718.92843 32583.94261 32735.43581 22429.33419 16213.3809 28376.63413 32431.9678 lysoPC 15:0; [M+H]+@1.23 11554.02185 20629.92072 18673.04299 30801.10066 10367.13605 12481.18231 9359.05037 12643.61084 15954.00916 19828.66136 21524.86122 21894.90566 17336.14291 16629.96827 30887.5976 39147.7322 23078.19232 15529.61271 20178.89812 17096.95226 20072.87864 lysoPC 16:0; [M+H]+@1.54 2556258.86 2940806.202 3098650.434 6855639.984 4309623.665 4957526.925 1810685.76 2511822.96 3187855.564 3727233.65 6419125.068 4725630.955 4562893.599 4718056.38 5049046.915 6327285.803 3808036.983 4399455.431 4357975.881 3251507.326 4321597.866 lysoPC 16:1; [M+H]+@1.25 49518.32385 61872.44405 48682.14747 101570.5194 56018.85577 55127.55645 27758.24679 39881.65438 58983.67731 73951.14158 129923.3359 79303.04135 74865.41419 70409.26883 82478.82004 118936.6468 81761.95131 58054.03073 55615.06604 72289.68039 69535.38942 lysoPC 17:1; [M+H]+@1.43 3911.724085 9353.13483 5271.707106 15698.19102 7980.805075 9641.085418 4660.431283 3412.144074 5662.958194 7754.370596 11060.525 9191.428164 7874.226907 8647.708774 8679.906379 13742.39891 9689.864503 10279.78835 8324.876999 8073.18098 10748.15915 lysoPC 18:0; [M+Na]+@2.15 455350.6097 827346.4903 461515.6898 761681.3506 600942.7532 646449.5916 314058.2645 400212.1283 658490.3917 464862.0323 1259478.251 656458.5535 447242.257 762291.4012 599726.8078 1019060.67 689181.6421 621632.3911 865511.674 464901.4627 444548.2124 lysoPC 18:2; [M+H]+@1.47 845351.3579 983605.753 780710.999 2405318.264 1982534.67 1430316.99 475451.332 662524.419 1105744.657 841215.5363 2102120.412 1410317.53 1990162.519 1949515.8 2160273.794 1821075.064 1805326.338 1237129.236 1103528.798 1811767.652 1375155.345 lysoPC 18:3; [M+H]+@1.06 7250.180364 12417.91323 5812.527796 15256.00589 23875.42465 16677.262 6497.129159 7223.880224 9979.676115 15878.30507 27273.59832 10969.65401 27729.82664 18018.35008 33338.5351 28000.63651 25543.86043 19162.86739 11193.18023 11348.74302 20387.3783 lysoPC 19:0; [M+H]+@2.85 7246.941098 10928.30089 6811.392877 11972.76879 7533.198327 7673.362177 12092.97964 12214.50222 9460.560321 7288.490413 14151.53508 10029.54859 13514.25076 9448.146089 14508.94958 11521.49515 8134.131032 9901.758404 12276.15077 8993.715267 11925.44112 lysoPC 20:0; [M+H]+@3.29 3188.006892 3812.602438 3651.714771 9018.10364 8853.664238 6220.533037 4530.280206 11232.3322 8841.207852 5500.600043 8182.806033 6165.713584 9498.588858 8315.589933 8164.295876 11554.24778 3898.390725 5196.7665 5153.197325 4989.599268 5019.040328 lysoPC 20:1; [M+H]+@2.51 5806.479127 13930.80519 5487.532149 19052.2186 10716.58857 12642.0002 6260.086887 13478.82654 12997.94031 13962.76417 15161.3212 12816.48549 11222.7453 10926.26884 12517.87616 18176.62652 6929.086849 11466.00308 10171.01874 10682.18947 9680.606866 lysoPC 20:3; [M+H]+@1.50 94226.78182 92062.42783 62176.03987 154014.8443 126878.0569 105088.5467 43194.4932 54920.96766 83399.75197 62202.61397 149521.3916 68018.96994 129652.9094 108793.2597 137037.8765 158780.3401 163450.4119 79654.40531 55240.50494 113264.859 89088.00997 lysoPC 20:4; [M+H]+@1.39 173046.9766 246698.3161 166242.3558 685257.7475 231673.1814 265480.7861 177396.6149 186816.8143 289138.4879 300445.8234 406749.5397 327085.4336 313642.5533 374612.9684 370746.6097 599370.2988 277291.3857 229062.9588 417091.3117 327048.2119 237147.8449 lysoPC 20:5; [M+H]+@1.04 76462.98783 98405.92329 75029.95914 189994.9745 147646.3629 142204.944 55134.3734 79246.37656 105190.2784 96902.30341 214619.6105 151002.5177 193125.4859 180552.5648 178467.2783 171983.4597 173759.6907 125681.3602 130405.5266 139661.4796 154675.9624 lysoPC 22:0; [M+H]+@4.21 1541.988546 971.3798881 3089.158296 2831.275066 3197.178559 3696.06335 1907.642465 2477.83593 4305.970884 1381.006734 1175.636908 1493.582345 1504.836133 1730.766947 3229.672209 2487.947105 2489.975931 1959.986919 1390.061655 1496.610754 2217.542359 lysoPC 22:1; [M+H]+@3.38 1076.313208 1293.804324 712.0517181 1186.646919 2014.497392 384.0486924 289.3204483 1902.116085 1621.563628 1051.886579 788.9374156 2130.490736 1799.330661 1871.686366 1823.870074 2062.402186 3480.834572 1502.318979 985.040181 440.032407 1146.322018 lysoPC 22:4; [M+H]+@1.77 6113.556118 3020.408127 3670.320584 8047.040445 7009.019738 11984.86242 6117.812249 8517.617644 5933.932572 7070.876985 11061.07616 5166.726476 6099.646969 9190.444099 13005.1463 12569.69599 10769.4276 9375.9003 10023.72137 5845.55245 7205.975848 lysoPC 22:5; [M+H]+@1.35 16066.88084 19614.37333 10225.48996 33793.30926 28591.88925 25774.75481 12771.73429 13666.15777 20196.9688 15752.83032 27520.52316 13649.12956 26814.55322 26086.72777 28996.42613 41330.78067 28348.6647 22694.21765 25671.26563 24651.8766 20890.24767 lysoPC 22:6; [M+H]+@1.18 23851.60186 35804.01943 20854.27255 98238.19322 79752.9336 64782.42299 27522.14807 33138.60611 38893.97943 49868.22419 91077.52194 60982.21487 74138.27134 106647.5891 81139.63713 117723.5661 49709.52865 34025.9833 56857.30689 45754.04915 37066.14686 lysoPC 24:0; [M+H]+@5.12 3620.960689 3266.976361 4268.374149 2763.943094 4072.640631 3836.345569 2395.822844 4652.677478 3629.880336 3684.460301 2983.739452 2410.857696 5843.04137 5809.89576 4299.254545 6741.750857 3031.6296 2728.68731 1797.503657 2096.21205 4779.083449 lysoPE 16:0; [M+H]+@1.65 6125.75119 11058.07359 17468.6826 28826.25398 16906.50072 21528.94922 9925.184604 9557.871326 11210.64934 11037.14973 23698.2333 14945.70713 21520.90201 21610.894 12654.78301 17489.60155 29017.19392 20167.02713 20863.59348 13657.63138 15117.66472 lysoPE 18:0; [M+H]+@2.48 24652.23116 32184.8428 35094.75725 58550.10184 41638.39743 55017.11546 16471.6319 36713.05902 27048.0323 23932.44641 56374.60886 24341.76549 41514.25238 31306.68013 44830.5384 47899.35169 45886.02813 33248.91598 36474.51565 28962.27052 32597.0288 lysoPE 18:1; [M+H]+@1.81 10743.73115 15717.67932 14579.56085 24434.86187 29639.103 19235.05342 6368.484627 13483.18429 16224.4567 13034.30067 29310.29441 15122.86004 31209.50505 14182.71994 28484.3824 30190.54569 37193.05263 19747.01316 14258.37268 26945.23855 20846.04839 lysoPE 20:4; [M+H]+@1.30 25027.66862 38478.79914 33641.05454 64954.87183 50206.42707 40402.71275 35018.13746 23554.62534 34672.40741 31902.7712 55063.18337 40320.7135 39815.68019 43067.2556 46470.81373 55336.92502 50660.47159 38798.34287 40498.63016 49459.7519 27576.25098 lysoPE 22:5; [M+H]+@1.42 5556.07365 6190.294806 6967.264401 8774.646548 12799.24548 6526.401124 3363.677741 4428.989076 3245.166256 3125.653759 10623.67327 7255.299021 6364.640864 7909.764532 7312.984521 8687.87798 13414.3381 11948.54841 8226.441505 5878.342144 8459.671708 plasmenyl-PC 18:0; [M+Na]+@1.81 93887.24211 149054.9729 82135.10351 270607.8708 125451.5551 134508.1487 60387.33929 89861.05941 150816.1591 142341.5344 265429.1828 176082.7535 178326.3354 179660.786 194280.2796 243214.1256 185820.075 140342.2766 186937.1762 151010.3734 115556.015 plasmenyl-PC 36:4; [M+Na]+@6.54 6352.291339 13288.63028 6895.042932 8275.083499 2077.201599 5134.51077 6357.006843 9284.341898 8820.463453 8314.726819 10178.42653 4449.594632 7752.605349 6386.919829 7265.442688 6376.116436 5393.174084 16266.50643 9881.582862 10866.63208 7565.880827 plasmenyl-PC 40:0; [M+Na]+@8.37 26451.76228 29371.03607 29323.98732 36973.96999 34113.07655 23621.06948 20924.25953 19650.76171 43241.76479 49282.75559 26623.11174 21351.04652 21348.06276 33548.89496 30692.22112 43353.66407 40478.0323 25964.32724 28793.62824 41172.7286 41411.94371 plasmenyl-PC 40:3; [M+Na]+@7.59 13011.47335 29600.66704 8513.614262 11063.36177 19850.77947 17767.17031 11753.58643 20857.19032 25605.81916 13191.80887 10968.80563 18116.40038 15755.23314 13299.26514 11509.91558 12359.35649 21602.12665 1842.379204 7087.329325 13593.22189 26680.7829 plasmenyl-PC 42:4; [M+Na]+@7.86 16001.86489 17447.2997 3342.910097 8524.658573 10471.23681 7130.904018 12054.18396 5734.396997 9211.367786 10724.24711 6900.468313 8421.106504 7626.895202 10136.25161 13790.83658 14837.25641 11108.10935 4852.273315 7709.135265 7449.976902 8540.117506 plasmenyl-PC 44:4; [M+Na]+@8.43 14552.89142 21143.86955 12329.0429 15837.47784 13083.20505 12634.80001 14621.93034 14020.33827 17855.74805 20117.98845 16125.77687 20986.13321 17261.61057 18730.63946 14599.75225 18183.34019 14745.18679 8190.972649 13354.39778 20662.79345 30158.68793 plasmenyl-PE 36:4; [M+H]+@6.64 95540.7401 121398.0025 114141.766 87159.49503 96751.37187 134417.3042 161822.364 202562.3433 137046.6757 111863.2641 146610.3334 95355.63178 99709.73596 134311.9606 119126.5014 140104.0448 132235.0142 71327.43082 97378.18284 230886.378 157871.7375 plasmenyl-PE 38:5; [M+H]+@6.99 125991.0651 123387.8205 128949.929 122859.4068 134967.7524 166222.6959 166428.4056 165517.4461 154335.2174 144095.4973 185966.1653 131493.7418 106988.4014 121591.1066 162415.0125 197101.3526 187682.3684 65014.4851 93826.53401 191924.2245 162161.1329 plasmenyl-PE 38:6; [M+H]+@6.57 57017.88404 56128.4746 63311.07511 58501.47474 104430.0654 118637.7361 59771.57941 59791.67708 69817.63525 48456.02413 92398.21907 60318.50048 77355.45549 123195.5033 67002.83988 71196.54811 78822.76442 38391.84441 37946.35857 83874.19168 99087.79125 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]+@10.99 10.99 246520 LMST01020005 LipidMaps CE(16:1); [M+NH4]+@10.71 10.71 CE(16:1) LipidMaps Bulk ID CE(18:0); [M+NH4]+@11.41 11.41 118246 LMST01020007 LipidMaps CE(18:1); [M+NH4]+@10.95 10.95 5283632 LMST01020003 LipidMaps CE(18:2); [M+NH4]+@10.79 10.79 5287939 LMST01020008 LipidMaps CE(18:3); [M+NH4]+@9.30 10.52 6436907 LMST01020009 LipidMaps CE(18:3); [M+NH4]+@10.52 10.52 6436907 LMST01020009 LipidMaps CE(20:1); [M+NH4]+@11.34 11.34 16061337 LMST01020011 LipidMaps CE(20:2); [M+NH4]+@11.10 11.1 16061338 LMST01020012 LipidMaps CE(20:3); [M+NH4]+@10.80 10.8 14274976 LMST01020013 LipidMaps CE(20:4); [M+NH4]+@10.61 10.61 6479222 LMST01020014 LipidMaps CE(20:5); [M+NH4]+@10.46 10.46 10372299 LMST01020015 LipidMaps CE(22:4); [M+NH4]+@10.91 10.91 16061341 LMST01020018 LipidMaps CE(22:6); [M+NH4]+@10.53 10.53 14274978 LMST01020019 LipidMaps DG 30:0; [M+NH4]+@7.38 7.38 DG(30:0) LipidMaps Bulk ID DG 31:0; [M+NH4]+@7.61 7.61 DG(31:0) LipidMaps Bulk ID DG 32:0; [M+NH4]+@7.93 7.93 DG(32:0) LipidMaps Bulk ID DG 32:1; [M+NH4]+@7.51 7.51 DG(32:1) LipidMaps Bulk ID DG 32:2; [M+NH4]+@7.07 7.07 DG(32:2) LipidMaps Bulk ID DG 34:0; [M+NH4]+@8.41 8.41 DG(34:0) LipidMaps Bulk ID DG 34:2; [M+NH4]+@7.56 7.56 DG(34:2) LipidMaps Bulk ID DG 34:3; [M+NH4]+@7.18 7.18 DG(34:3) LipidMaps Bulk ID DG 35:1; [M+NH4]+@8.28 8.28 DG(35:1) LipidMaps Bulk ID DG 35:2; [M+NH4]+@7.87 7.87 DG(35:2) LipidMaps Bulk ID DG 36:0; [M+NH4]+@8.87 8.87 DG(36:0) LipidMaps Bulk ID DG 36:1; [M+NH4]+@8.40 8.4 DG(36:1) LipidMaps Bulk ID DG 36:2; [M+NH4]+@7.98 7.98 DG(36:2) LipidMaps Bulk ID DG 36:3; [M+NH4]+@7.66 7.66 DG(36:3) LipidMaps Bulk ID DG 36:4; [M+NH4]+@7.40 7.4 DG(36:4) LipidMaps Bulk ID DG 36:5; [M+NH4]+@6.96 6.96 DG(36:5) LipidMaps Bulk ID DG 38:2; [M+NH4]+@8.55 8.55 DG(38:2) LipidMaps Bulk ID DG 38:3; [M+NH4]+@8.21 8.21 DG(38:3) LipidMaps Bulk ID DG 38:4; [M+NH4]+@7.84 7.84 DG(38:4) LipidMaps Bulk ID DG 38:5; [M+NH4]+@7.61 7.61 DG(38:5) LipidMaps Bulk ID DG 38:6; [M+NH4]+@7.24 7.24 DG(38:6) LipidMaps Bulk ID DG 40:5; [M+NH4]+@8.07 8.07 DG(40:5) LipidMaps Bulk ID DG 40:6; [M+NH4]+@7.77 7.77 DG(40:6) LipidMaps Bulk ID DG 40:7; [M+NH4]+@7.55 7.55 DG(40:7) LipidMaps Bulk ID MG 17:0; [M+Li]+@3.14 3.14 107036 LMGL01010002 LipidMaps PC 28:0; [M+Na]+@5.22 5.22 PC(28:0) LipidMaps Bulk ID PC 30:0; [M+Na]+@5.96 5.96 PC(30:0) LipidMaps Bulk ID PC 31:0; [M+Na]+@5.48 5.48 PC(31:0) LipidMaps Bulk ID PC 31:1; [M+Na]+@5.29 5.29 PC(31:1) LipidMaps Bulk ID PC 33:2; [M+Na]+@5.96 5.96 PC(33:2) LipidMaps Bulk ID PC 33:3; [M+H]+@5.61 5.61 PC(33:3) LipidMaps Bulk ID PC 34:1; [M+H]+@6.64 6.64 PC(34:1) LipidMaps Bulk ID PC 34:4; [M+H]+@6.06 6.06 PC(34:4) LipidMaps Bulk ID PC 35:5; [M+H]+@5.48 5.48 PC(35:5) LipidMaps Bulk ID PC 36:2; [M+H]+@6.84 6.84 PC(36:2) LipidMaps Bulk ID PC 36:3; [M+H]+@6.45 6.45 PC(36:3) LipidMaps Bulk ID PC 36:7; [M+H]+@5.49 5.49 PC(36:7) LipidMaps Bulk ID PC 37:4; [M+H]+@7.41 7.41 PC(37:4) LipidMaps Bulk ID PC 38:4; [M+H]+@6.81 6.81 PC(38:4) LipidMaps Bulk ID PC 38:6; [M+H]+@6.08 6.08 PC(38:6) LipidMaps Bulk ID PC 38:7; [M+H]+@5.80 5.8 PC(38:7) LipidMaps Bulk ID PC 38:9; [M+H]+@5.39 5.39 PC(38:9) LipidMaps Bulk ID PC 40:8; [M+H]+@5.64 5.64 PC(40:8) LipidMaps Bulk ID PC 42:10; [M+H]+@5.72 5.72 PC(42:10) LipidMaps Bulk ID PC 42:9; [M+H]+@6.10 6.1 PC(42:9) LipidMaps Bulk ID PC 44:4; [M+H]+@8.54 8.54 PC(44:4) LipidMaps Bulk ID PE 34:1; [M+H]+@6.83 6.83 PE(34:1) LipidMaps Bulk ID PE 34:2; [M+H]+@6.37 6.37 PE(34:2) LipidMaps Bulk ID PE 34:3; [M+H]+@6.03 6.03 PE(34:3) LipidMaps Bulk ID PE 36:1; [M+H]+@7.42 7.42 PE(36:1) LipidMaps Bulk ID PE 36:2; [M+H]+@7.03 7.03 PE(36:2) LipidMaps Bulk ID PE 36:3; [M+H]+@6.53 6.53 PE(36:3) LipidMaps Bulk ID PE 36:4; [M+H]+@6.36 6.36 PE(36:4) LipidMaps Bulk ID PE 38:3; [M+H]+@7.20 7.2 PE(38:3) LipidMaps Bulk ID PE 38:4; [M+H]+@6.96 6.96 PE(38:4) LipidMaps Bulk ID PE 38:5; [M+H]+@6.45 6.45 PE(38:5) LipidMaps Bulk ID PE 38:6; [M+H]+@6.19 6.19 PE(38:6) LipidMaps Bulk ID PE 40:5; [M+H]+@7.05 7.05 PE(40:5) LipidMaps Bulk ID PE 40:6; [M+H]+@6.90 6.9 PE(40:6) LipidMaps Bulk ID PE 40:7; [M+H]+@6.40 6.4 PE(40:7) LipidMaps Bulk ID SM 30:1; [M+Na]+@4.31 4.31 SM 30:1 LipidBLAST SM 32:0; [M+Na]+@5.34 5.34 44260138 SM 32:1; [M]+@5.35 5.35 11433862 SM 32:2; [M+Na]+@4.51 4.51 SM 32:2 LipidBLAST SM 33:1; [M+Na]+@5.46 5.46 52931139 SM 33:2; [M]+@4.95 4.95 SM 33:2 LipidBLAST SM 34:0; [M+Na]+@6.07 6.07 9939965 SM 34:1; [M+Na]+@5.78 5.78 SM 34:1 LipidBLAST SM 34:2; [M+Na]+@5.24 5.24 SM 34:2 LipidBLAST SM 35:0; [M]+@6.17 6.17 SM 35:0 LipidBLAST SM 35:2; [M+Na]+@5.67 5.67 SM 35:2 LipidBLAST SM 36:1; [M+Na]+@6.53 6.53 44260139 SM 36:2; [M+Na]+@6.02 6.02 SM 36:2 LipidBLAST SM 37:2; [M]+@6.38 6.38 SM 37:2 LipidBLAST SM 38:1; [M+Na]+@7.17 7.17 SM 38:1 LipidBLAST SM 38:4; [M]+@5.74 5.74 SM 38:4 LipidBLAST SM 39:1; [M+Na]+@7.55 7.55 SM 39:1 LipidBLAST SM 40:1; [M+Na]+@7.69 7.69 SM 40:1 LipidBLAST SM 40:2; [M+Na]+@7.22 7.22 SM 40:2 LipidBLAST SM 41:1; [M+Na]+@8.01 8.01 SM 41:1 LipidBLAST SM 41:2; [M+Na]+@7.57 7.57 SM 41:2 LipidBLAST SM 42:0; [M+Na]+@7.87 7.87 44260134 SM 42:1; [M+Na]+@8.24 8.24 44260133 SM 42:2; [M+Na]+@7.75 7.75 SM 42:2 LipidBLAST SM 42:4; [M]+@6.84 6.84 SM 42:4 LipidBLAST SM 42:5; [M]+@6.53 6.53 SM 42:5 LipidBLAST SM 43:1; [M+Na]+@8.45 8.45 SM 43:1 LipidBLAST SM 44:1; [M]+@8.74 8.74 SM 44:1 LipidBLAST SM 44:2; [M]+@8.24 8.24 SM 44:2 LipidBLAST TG 40:0; [M+NH4]+@9.52 9.52 TG(40:0) LipidMaps Bulk ID TG 40:1; [M+NH4]+@9.21 9.21 TG(40:1) LipidMaps Bulk ID TG 42:0; [M+NH4]+@9.80 9.8 TG(42:0) LipidMaps Bulk ID TG 42:1; [M+NH4]+@9.57 9.57 TG(42:1) LipidMaps Bulk ID TG 44:1; [M+NH4]+@9.82 9.82 TG(44:1) LipidMaps Bulk ID TG 44:2; [M+NH4]+@9.59 9.59 TG(44:2) LipidMaps Bulk ID TG 46:0; [M+NH4]+@10.30 10.3 TG(46:0) LipidMaps Bulk ID TG 46:1; [M+NH4]+@10.09 10.09 TG(46:1) LipidMaps Bulk ID TG 46:2; [M+NH4]+@9.84 9.84 TG(46:2) LipidMaps Bulk ID TG 46:3; [M+NH4]+@9.63 9.63 TG(46:3) LipidMaps Bulk ID TG 48:0; [M+NH4]+@10.57 10.57 TG(48:0) LipidMaps Bulk ID TG 48:1; [M+NH4]+@10.33 10.33 TG(48:1) LipidMaps Bulk ID TG 48:2; [M+NH4]+@10.12 10.12 TG(48:2) LipidMaps Bulk ID TG 48:3; [M+NH4]+@9.89 9.89 TG(48:3) LipidMaps Bulk ID TG 49:0; [M+NH4]+@10.70 10.7 TG(49:0) LipidMaps Bulk ID TG 49:1; [M+NH4]+@10.50 10.5 TG(49:1) LipidMaps Bulk ID TG 49:2; [M+NH4]+@10.31 10.31 TG(49:2) LipidMaps Bulk ID TG 49:3; [M+NH4]+@10.08 10.08 TG(49:3) LipidMaps Bulk ID TG 50:0; [M+NH4]+@10.84 10.84 TG(50:0) LipidMaps Bulk ID TG 50:1; [M+NH4]+@10.56 10.56 TG(50:1) LipidMaps Bulk ID TG 50:2; [M+NH4]+@10.35 10.35 TG(50:2) LipidMaps Bulk ID TG 50:2; [M+Na]+@10.23 10.23 TG(50:2) LipidMaps Bulk ID TG 50:3; [M+NH4]+@10.14 10.14 TG(50:3) LipidMaps Bulk ID TG 50:4; [M+NH4]+@9.94 9.94 TG(50:4) LipidMaps Bulk ID TG 50:5; [M+NH4]+@9.76 9.76 TG(50:5) LipidMaps Bulk ID TG 51:1; [M+NH4]+@10.73 10.73 TG(51:1) LipidMaps Bulk ID TG 51:2; [M+NH4]+@10.55 10.55 TG(51:2) LipidMaps Bulk ID TG 51:3; [M+NH4]+@10.35 10.35 TG(51:3) LipidMaps Bulk ID TG 51:4; [M+NH4]+@10.16 10.16 TG(51:4) LipidMaps Bulk ID TG 51:5; [M+NH4]+@9.94 9.94 TG(51:5) LipidMaps Bulk ID TG 52:0; [M+NH4]+@11.07 11.07 TG(52:0) LipidMaps Bulk ID TG 52:1; [M+NH4]+@10.84 10.84 TG(52:1) LipidMaps Bulk ID TG 52:2; [M+NH4]+@10.59 10.59 TG(52:2) LipidMaps Bulk ID TG 52:3; [M+NH4]+@10.41 10.41 TG(52:3) LipidMaps Bulk ID TG 52:4; [M+NH4]+@10.22 10.22 TG(52:4) LipidMaps Bulk ID TG 52:5; [M+NH4]+@10.04 10.04 TG(52:5) LipidMaps Bulk ID TG 52:6; [M+NH4]+@9.83 9.83 TG(52:6) LipidMaps Bulk ID TG 52:7; [M+NH4]+@9.67 9.67 TG(52:7) LipidMaps Bulk ID TG 53:0; [M+NH4]+@11.20 11.2 TG(53:0) LipidMaps Bulk ID TG 53:1; [M+NH4]+@10.96 10.96 TG(53:1) LipidMaps Bulk ID TG 53:2; [M+NH4]+@10.77 10.77 TG(53:2) LipidMaps Bulk ID TG 53:3; [M+NH4]+@10.57 10.57 TG(53:3) LipidMaps Bulk ID TG 53:4; [M+NH4]+@10.37 10.37 TG(53:4) LipidMaps Bulk ID TG 53:5; [M+NH4]+@10.20 10.2 TG(53:5) LipidMaps Bulk ID TG 54:0; [M+NH4]+@11.32 11.32 TG(54:0) LipidMaps Bulk ID TG 54:1; [M+NH4]+@11.09 11.09 TG(54:1) LipidMaps Bulk ID TG 54:2; [M+NH4]+@10.88 10.88 TG(54:2) LipidMaps Bulk ID TG 54:3; [M+NH4]+@10.67 10.67 TG(54:3) LipidMaps Bulk ID TG 54:4; [M+NH4]+@10.47 10.47 TG(54:4) LipidMaps Bulk ID TG 54:5; [M+NH4]+@10.26 10.26 TG(54:5) LipidMaps Bulk ID TG 54:6; [M+NH4]+@10.10 10.1 TG(54:6) LipidMaps Bulk ID TG 54:7; [M+NH4]+@9.91 9.91 TG(54:7) LipidMaps Bulk ID TG 54:8; [M+NH4]+@9.76 9.76 TG(54:8) LipidMaps Bulk ID TG 55:0; [M+NH4]+@11.42 11.42 TG(55:0) LipidMaps Bulk ID TG 55:1; [M+NH4]+@11.20 11.2 TG(55:1) LipidMaps Bulk ID TG 55:3; [M+NH4]+@10.80 10.8 TG(55:3) LipidMaps Bulk ID TG 55:6; [M+NH4]+@10.32 10.32 TG(55:6) LipidMaps Bulk ID TG 55:8; [M+NH4]+@9.98 9.98 TG(55:8) LipidMaps Bulk ID TG 56:0; [M+NH4]+@11.60 11.6 TG(56:0) LipidMaps Bulk ID TG 56:1; [M+NH4]+@11.36 11.36 TG(56:1) LipidMaps Bulk ID TG 56:10; [M+NH4]+@9.71 9.71 TG(56:10) LipidMaps Bulk ID TG 56:2; [M+NH4]+@11.12 11.12 TG(56:2) LipidMaps Bulk ID TG 56:3; [M+NH4]+@10.92 10.92 TG(56:3) LipidMaps Bulk ID TG 56:4; [M+NH4]+@10.74 10.74 TG(56:4) LipidMaps Bulk ID TG 56:5; [M+NH4]+@10.58 10.58 TG(56:5) LipidMaps Bulk ID TG 56:5; [M+Na]+@10.60 10.6 TG(56:5) LipidMaps Bulk ID TG 56:6; [M+NH4]+@10.40 10.4 TG(56:6) LipidMaps Bulk ID TG 56:7; [M+NH4]+@10.22 10.22 TG(56:7) LipidMaps Bulk ID TG 56:8; [M+NH4]+@10.04 10.04 TG(56:8) LipidMaps Bulk ID TG 56:9; [M+NH4]+@9.86 9.86 TG(56:9) LipidMaps Bulk ID TG 57:2; [M+NH4]+@11.25 11.25 TG(57:2) LipidMaps Bulk ID TG 57:7; [M+NH4]+@10.32 10.32 TG(57:7) LipidMaps Bulk ID TG 58:1; [M+NH4]+@11.63 11.63 TG(58:1) LipidMaps Bulk ID TG 58:10; [M+NH4]+@9.99 9.99 TG(58:10) LipidMaps Bulk ID TG 58:11; [M+NH4]+@9.81 9.81 TG(58:11) LipidMaps Bulk ID TG 58:12; [M+NH4]+@9.62 9.62 TG(58:12) LipidMaps Bulk ID TG 58:2; [M+NH4]+@11.38 11.38 TG(58:2) LipidMaps Bulk ID TG 58:4; [M+NH4]+@10.96 10.96 TG(58:4) LipidMaps Bulk ID TG 58:5; [M+NH4]+@10.85 10.85 TG(58:5) LipidMaps Bulk ID TG 58:6; [M+NH4]+@10.63 10.63 TG(58:6) LipidMaps Bulk ID TG 58:7; [M+NH4]+@10.54 10.54 TG(58:7) LipidMaps Bulk ID TG 58:8; [M+NH4]+@10.35 10.35 TG(58:8) LipidMaps Bulk ID TG 58:9; [M+NH4]+@10.18 10.18 TG(58:9) LipidMaps Bulk ID TG 60:1; [M+NH4]+@11.87 11.87 TG(60:1) LipidMaps Bulk ID TG 60:10; [M+NH4]+@10.25 10.25 TG(60:10) LipidMaps Bulk ID TG 60:12; [M+NH4]+@9.96 9.96 TG(60:12) LipidMaps Bulk ID TG 60:13; [M+NH4]+@9.75 9.75 TG(60:13) LipidMaps Bulk ID TG 60:9; [M+NH4]+@10.37 10.37 TG(60:9) LipidMaps Bulk ID lysoPC 14:0; [M+H]+@1.01 1.01 LPC(14:0) LipidMaps Bulk ID lysoPC 15:0; [M+H]+@1.23 1.23 24779458 LMGP01050016 LipidMaps lysoPC 16:0; [M+H]+@1.54 1.54 LPC(16:0) LipidMaps Bulk ID lysoPC 16:1; [M+H]+@1.25 1.25 LPC(16:1) LipidMaps Bulk ID lysoPC 17:1; [M+H]+@1.43 1.43 LPC(17:1) LipidMaps Bulk ID lysoPC 18:0; [M+Na]+@2.15 2.15 LPC(18:0) LipidMaps Bulk ID lysoPC 18:2; [M+H]+@1.47 1.47 LPC(18:2) LipidMaps Bulk ID lysoPC 18:3; [M+H]+@1.06 1.06 LPC(18:3) LipidMaps Bulk ID lysoPC 19:0; [M+H]+@2.85 2.85 24779472 LMGP01050041 LipidMaps lysoPC 20:0; [M+H]+@3.29 3.29 24779473 LMGP01050045 LipidMaps lysoPC 20:1; [M+H]+@2.51 2.51 LPC(20:1) LipidMaps Bulk ID lysoPC 20:3; [M+H]+@1.50 1.5 LPC(20:3) LipidMaps Bulk ID lysoPC 20:4; [M+H]+@1.39 1.39 LPC(20:4) LipidMaps Bulk ID lysoPC 20:5; [M+H]+@1.04 1.04 11757087 LMGP01050050 LipidMaps lysoPC 22:0; [M+H]+@4.21 4.21 24779479 LMGP01050053 LipidMaps lysoPC 22:1; [M+H]+@3.38 3.38 LPC(22:1) LipidMaps Bulk ID lysoPC 22:4; [M+H]+@1.77 1.77 52924039 LMGP01050124 LipidMaps lysoPC 22:5; [M+H]+@1.35 1.35 LPC(22:5) LipidMaps Bulk ID lysoPC 22:6; [M+H]+@1.18 1.18 10415542 LMGP01050056 LipidMaps lysoPC 24:0; [M+H]+@5.12 5.12 24779481 LMGP01050057 LipidMaps lysoPE 16:0; [M+H]+@1.65 1.65 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]+@1.81 1.81 LPE(18:1) LipidMaps Bulk ID lysoPE 20:4; [M+H]+@1.30 1.3 LPE(20:4) LipidMaps Bulk ID lysoPE 22:5; [M+H]+@1.42 1.42 LPE(22:5) LipidMaps Bulk ID plasmenyl-PC 18:0; [M+Na]+@1.81 1.81 PC(P-18:0) LipidMaps Bulk ID plasmenyl-PC 36:4; [M+Na]+@6.54 6.54 PC(P-36:4) LipidMaps Bulk ID plasmenyl-PC 40:0; [M+Na]+@8.37 8.37 PC(P-40:0) LipidMaps Bulk ID plasmenyl-PC 40:3; [M+Na]+@7.59 7.59 PC(P-40:3) LipidMaps Bulk ID plasmenyl-PC 42:4; [M+Na]+@7.86 7.86 PC(P-42:4) LipidMaps Bulk ID plasmenyl-PC 44:4; [M+Na]+@8.43 8.43 plasmenyl-PC 44:4 LipidBLAST plasmenyl-PE 36:4; [M+H]+@6.64 6.64 PE(P-36:4) LipidMaps Bulk ID plasmenyl-PE 38:5; [M+H]+@6.99 6.99 PE(P-38:5) LipidMaps Bulk ID plasmenyl-PE 38:6; [M+H]+@6.57 6.57 PE(P-38:6) LipidMaps Bulk ID METABOLITES_END #END