Compound SD_02272014_NEG_HILIC_LUC_68 SD_02272014_NEG_HILIC_LUC_92 SD_02272014_NEG_HILIC_LUC_67 SD_02272014_NEG_HILIC_LUI2_67 SD_02272014_NEG_HILIC_LUI2_68 SD_02272014_NEG_HILIC_LUI2_92 SD_02272014_NEG_HILIC_OUC_74 SD_02272014_NEG_HILIC_OUC_75 SD_02272014_NEG_HILIC_OUC_91 SD_02272014_NEG_HILIC_OUI2_74 SD_02272014_NEG_HILIC_OUI2_75 SD_02272014_NEG_HILIC_OUI2_91 SD_02272014_NEG_HILIC_UPALL0001 SD_02272014_NEG_HILIC_UPALL0002 SD_02272014_NEG_HILIC_UPALL0003 3.53_293.1078m/z 349.9425451 362.5641911 437.8616694 278.2348654 236.2329789 261.4347854 363.6187725 278.108209 449.9390234 453.7431125 168.6471316 386.1219457 389.9090526 394.2750227 351.3470853 1.16_377.0127m/z 598.9740262 432.1350865 602.8245532 515.1061491 649.4245857 472.3266547 626.8392506 726.0724086 801.7131161 575.530085 240.8914546 789.7549171 610.355853 561.5807463 636.143562 1.40_326.2110n 101.3145089 182.2660916 85.91408582 116.0201845 106.6473636 39.0878086 231.2160192 322.1119916 302.1260643 212.8451919 219.7786957 180.2162279 137.1135753 158.0870283 155.5326609 1.16_488.0158m/z 27.85776513 8.33310578 121.5821452 3.974610836 40.9845137 32.35045849 79.05647114 87.55825737 57.16427463 47.07532699 15.50973391 82.20413716 50.38481566 33.9508822 91.44615124 9.92_149.0462m/z 666.4752149 594.738601 524.3140282 887.959362 952.7813521 550.6382276 1201.325588 944.6263321 782.652826 952.0320339 1632.24042 521.9376829 828.9968545 626.5523906 698.2485759 7.52_196.0290m/z 676.8106868 660.7960896 805.5654016 692.756356 740.5721737 881.2485888 1215.338886 632.2187465 1105.566273 1477.069993 1105.251943 936.4502414 965.4999756 935.8393975 1064.242823 1.05_206.9977m/z 331.9463632 220.0664242 122.8203016 255.7612577 289.2611858 82.80883907 177.3580869 144.959152 228.0392743 139.2163206 180.3223991 309.0890067 184.6664962 151.0632284 193.143678 4.20_382.1837n 410.5419977 178.6422513 195.2518282 241.3320316 280.5719782 322.6985662 253.5356059 131.0712888 306.613941 292.8905502 20.05935576 354.2687275 310.0950454 279.102914 321.9602195 7.71_363.1668m/z 116.2791359 47.16663323 20.44912563 153.4963543 132.7469522 77.36341231 56.55926487 31.80700878 69.53750466 73.46379006 31.50418281 85.48406145 84.74910673 87.47925835 63.73841981 11.68_196.0590n 1364.816344 1802.341061 1171.762018 4194.842505 2207.650527 1259.715463 2940.981721 2266.685784 13758.12944 2481.362583 2565.72805 430.9479076 2096.412265 2181.126095 2771.236501 3.91_352.1235m/z 103.1189592 88.23615287 394.415383 337.0746636 250.5961177 282.8047679 46.45402669 66.87715123 87.86660131 212.630536 72.54987539 65.91134925 234.195703 189.9211469 246.2819696 8.45_165.0773m/z 141.9663782 196.5502795 134.6458946 325.5215569 234.0568419 189.7631171 213.9017976 186.2367249 150.1765001 175.6951582 180.6875751 155.1938708 218.5664062 228.4002021 197.1907051 4.73_200.0581m/z 39.41634413 42.12089576 28.17027107 29.47965836 37.36786214 42.31312543 46.34715295 31.28339552 60.42477406 28.89592163 47.89366172 38.391175 42.10806536 37.07913659 34.27066311 3.15_184.0634m/z 391.9172055 242.354943 168.3530092 333.3521155 277.5810917 416.7465353 184.2778791 191.0063124 145.6833723 200.9669578 203.4432885 142.2676957 267.0644034 255.4357108 272.3001689 7.37_216.0891m/z 109.3798805 43.54269048 55.6879543 74.62646747 111.3312948 134.5437751 200.1921559 95.84380188 20.86617471 50.49797941 175.4504453 14.06263595 49.85792269 61.78499443 53.17000593 7.18_216.0890m/z 4.488399924 53.25492523 32.48398896 50.29914405 20.56932792 41.20579061 20.40068385 3.553899739 29.9288336 20.64447854 16.59147361 15.16703983 45.09959706 16.56895357 46.61293908 2.96_131.0361m/z 1497.731737 1016.21353 571.6316284 1516.25146 1611.653533 1321.751453 932.4807748 824.6207752 1075.503259 907.1375877 1035.760292 1051.657511 1230.512155 1060.460739 1193.015664 1.10_490.0491m/z 38.31037648 26.84720879 28.16097545 31.94841285 20.9824328 39.2786057 12.06544673 14.95135671 51.02713602 32.11554583 12.72373964 59.22684045 31.61875037 29.48155432 44.38347953 1.39_206.9774m/z 73.14626602 28.83057222 101.9133366 21.10629263 64.05954674 66.50376302 73.04217518 72.64249692 67.75576078 40.74175604 59.89266844 60.08569148 52.87778473 57.78192286 55.59715742 1.13_358.0398m/z 108.3265906 10.72208357 51.91471741 18.93062399 96.29199124 16.42720273 4.188836728 0 0 89.73321512 0 10.41052454 49.98376465 37.49784894 11.50249405 3.51_209.0851m/z 94.0946769 37.32500462 142.7118043 23.49973502 16.34371747 149.3171767 75.82881414 71.50887495 38.18384254 67.4160128 14.47298942 54.00635278 119.8074869 95.71855613 120.6025541 12.88_193.0359m/z 312.6695593 350.5115424 447.5598001 1621.373865 470.6697081 532.0426774 1492.573497 1316.668854 1453.470571 871.6655324 1735.553933 250.520596 407.6195223 316.5063003 1074.546896 8.12_376.0370m/z 35.93253935 56.64823219 47.96247328 63.19086387 76.35424069 33.6749682 109.9586944 122.2101862 65.08054162 57.86016639 216.9685 62.81176655 70.25161731 74.83764828 66.12740109 3.34_145.0513m/z 914.7633232 527.1375736 589.7086916 753.6063653 954.7472023 504.0132566 1182.631315 1174.234007 733.7464407 1385.408159 1079.905871 934.8695854 805.655945 861.1909786 775.9189779 3.86_192.0665m/z 35207.39976 72767.63579 79969.75163 67500.55254 59285.11323 69752.59576 64012.7377 50595.05527 57070.63758 36684.75867 45163.28051 29939.93704 60419.09967 57069.29076 60017.60474 3.53_115.0406m/z 2245.622818 1977.714355 1366.999293 2886.213332 2594.391678 3076.98797 1620.477416 1147.329945 1743.267141 1609.895972 1331.090752 1574.443458 2078.337388 2071.080338 2100.999714 1.39_186.0244m/z 13.53654392 54.68191442 28.29413087 36.29538757 9.344619123 19.41924232 7.719554391 7.716703559 0 8.009375681 0 3.025349232 24.41188812 23.59420385 24.74235582 1.20_181.0527m/z 185.1338386 143.7989423 208.4596078 154.8463632 165.2613884 132.5294803 120.6498487 106.4194499 163.4866299 176.5636817 103.6350918 174.7984549 166.7200571 140.7419791 183.8529781 5.52_175.0254m/z 1451.438688 1047.315033 1382.870449 1576.197117 1572.330715 958.0911123 3076.997703 3281.280147 2821.728698 3465.87253 3988.473134 2068.332844 1892.358543 2123.788437 1817.037287 1.39_160.0413m/z 2524.590099 1702.488905 930.3271679 2216.805768 2712.800549 1424.471013 1046.469428 821.0697642 1168.684989 1776.316229 1481.539867 957.3087918 1699.142602 1696.592917 1711.943747 3.32_194.0465m/z 2247.52065 2493.917582 3109.978579 2274.201237 1918.693238 1887.68261 2397.898653 2172.021945 1879.551804 2917.917278 2198.131548 2779.299338 2321.00751 2131.417183 2299.735031 4.40_189.0776m/z 902.9258618 61.08176683 47.49588689 1044.950357 689.0480154 110.799202 137.4661533 94.26090795 161.4127231 65.60874406 38.68462453 65.88676113 338.6967014 285.5934647 305.3441811 7.16_481.2087m/z 377.9794533 241.3211569 246.504748 201.6248279 409.133736 313.1446733 443.8366539 396.1113203 202.4722088 323.5872519 267.3248192 191.7675886 308.1453594 301.1482479 282.2812752 10.40_336.0723m/z 6562.985259 6806.541175 2529.287243 7582.791795 12281.74719 7394.064661 6425.896813 5626.272002 4378.51158 10379.22738 8373.415225 3458.099587 7355.538025 7488.630139 7469.603628 5.62_114.0314m/z 2334.643658 2498.041262 1671.480874 2889.970283 2692.626103 1786.898822 2622.490509 2131.043489 2454.921968 1942.70531 2990.549714 1950.618408 2336.672018 2306.540003 2334.312114 2.26_245.0127m/z 98226.08239 117329.71 90627.75375 65384.64592 109000.7078 92951.63776 133716.2379 292702.3968 182863.0804 176745.275 189493.9242 237854.9165 137943.1578 144187.2843 140266.206 7.59_152.0032m/z 170.1946102 250.0886653 210.6904132 242.6780078 190.3185837 214.4732455 152.2425484 114.9326311 164.4290652 192.564753 199.5268545 161.8488612 211.2604676 144.590944 225.5180501 4.16_460.1491m/z 301.4411647 211.425458 183.4055984 392.4756683 262.082368 366.0846189 224.1680207 109.4590329 221.8968817 169.6012645 144.4204343 164.0530178 281.026527 286.8807598 186.094338 1.03_173.0633m/z 212.3473416 632.2881023 3119.251871 2473.895626 932.9607166 1864.000991 1415.087669 1491.496329 577.8247958 2553.052016 595.0839144 469.8052747 1413.884163 1412.947007 1473.450524 7.76_489.1420m/z 65.12207028 70.56350027 73.27384226 30.16895045 44.01420541 46.48203883 80.48027079 78.06629744 67.56745264 73.26016359 39.31914295 62.49192252 69.10161179 71.40145764 54.85826426 3.65_320.1507m/z 385.8608231 475.3501256 640.3935566 313.7300586 372.3837329 567.1718767 545.0950577 506.5282247 399.2436205 841.0884372 464.339797 986.2589755 524.5728063 567.0049074 562.0508047 4.57_206.0465m/z 13469.19204 13823.28149 14713.53388 14486.15005 6578.372657 10224.93651 13668.38391 17417.03636 19272.1196 6128.412613 8538.180554 9172.244019 12318.61974 10191.44224 12725.18218 3.91_243.0708m/z 462.5127933 441.9105185 531.4041401 503.6499217 540.9161623 778.3148218 465.2100037 325.9041422 442.970992 453.2330807 479.1156128 601.879641 554.7625621 364.6396359 539.6013624 5.21_144.0670m/z 15255.4315 5873.399561 4230.186371 13269.45667 15658.9981 12660.02583 5349.488808 3798.923645 5780.916182 5397.418262 4515.917517 6252.074236 8773.599537 10144.31209 8651.46051 3.48_165.0646m/z 77.86754523 49.41584999 197.8593723 92.05871088 39.50081428 143.5991837 76.80050278 116.3664006 119.6213918 276.1005573 75.40286565 196.6955399 162.0472313 139.3744956 168.2461148 9.80_144.0767m/z 51.46801297 54.77581133 74.21882312 66.02408591 85.82915695 35.9926728 97.27290749 57.32294378 69.89570318 88.86648745 112.1799514 84.68541041 69.73194641 76.09810465 67.53399151 4.64_305.0346m/z 749.3062167 2187.26258 1456.151074 133.6319032 547.4339337 473.1429149 720.0785373 996.2589395 577.9300072 786.0056511 661.0965204 446.1028533 836.0714568 790.4069427 786.43285 1.95_179.0360m/z 1794.390374 805.2204035 1789.867845 1459.191325 959.9596269 1556.358897 946.6481141 721.3996397 1413.875657 2326.140369 1903.313367 1608.791009 1455.800657 1254.425281 1515.864168 1.08_247.0285m/z 1381.855073 1268.68489 1872.50244 1317.347259 1233.577372 1119.199168 1112.169131 1484.077708 2392.843182 1256.299744 1513.42238 2456.116441 1584.426226 1615.099492 1548.59313 2.30_229.0189m/z 306.5986502 352.1016419 355.2803007 303.1711174 245.2160526 249.4545525 276.6229375 199.6014453 299.8137832 308.4530378 276.3006393 222.6748142 296.4315725 304.8669343 288.4220588 4.90_293.0349m/z 117.7920495 73.94294645 231.0912806 68.18271239 74.12884415 88.97925511 27.59922759 62.34762125 49.89900309 89.28935638 157.1021022 113.5688105 105.5459875 101.7846057 117.133844 1.11_182.0474m/z 36.48812335 30.41319077 27.30732495 27.54188144 32.50484346 23.82832 15.75510736 22.64768311 33.13397263 19.83090045 19.08470666 26.2255367 27.40169525 26.17073464 28.56479335 9.82_248.9615m/z 121.2544895 229.0326938 129.631015 295.8097983 118.6406575 64.60508241 29.93353553 260.6281882 183.1335796 117.3836764 392.5046737 334.9214403 183.9875489 180.9062358 184.871148 5.21_100.0774m/z 105.846508 39.2067003 27.98898959 100.5513501 110.3513953 90.39580006 24.32401418 8.910596482 35.90560428 33.54081667 15.35447295 49.46551183 57.15378265 57.46052709 56.11346335 7.56_293.0788m/z 240.171269 445.3777884 373.3919923 626.8395444 283.5002048 429.0827993 620.2384015 1007.484632 1541.742229 1923.454036 1073.425811 2734.807893 1016.376259 915.6738025 1076.682117 2.89_178.9869m/z 50.05161818 20.48397573 131.5733719 46.69504039 6.139677022 60.31205369 27.14014374 13.75482333 28.16035726 23.10973492 0.057229272 62.73295335 50.75430196 29.66281555 29.43784771 3.05_216.9816m/z 11701.32862 10575.63255 17565.05914 8505.300737 9349.378256 8622.184164 9115.511651 13254.91987 11935.438 12658.20419 8087.515828 15877.37086 11007.01171 11799.58284 11717.25935 1.35_453.0075m/z 1179.159468 1388.339128 805.5635914 1267.821232 2282.27383 832.3871479 938.6706152 804.7485051 887.47037 1201.255992 1793.477139 740.4245136 1259.555718 1174.991828 1247.979517 3.41_147.0138m/z 116.3564821 124.8248893 502.426569 116.2766068 40.53124824 8.618891239 342.4461986 415.4647509 715.5414429 260.1353923 168.9519125 208.8830491 283.6780171 236.3364087 305.9198919 10.11_365.0185m/z 44.79311017 10.83996577 62.89809181 32.74458402 20.92723716 16.65586793 83.85895262 68.83879605 41.95373664 50.88501282 41.11211146 27.91669793 47.90187303 37.38633884 47.08284216 4.47_304.0874m/z 0 54.97546093 33.05177336 22.66477823 37.83989503 79.17663986 3.252591513 3.433550555 71.01616708 30.77846687 0 61.18211628 62.58928373 13.20114833 112.6030176 1.37_525.0315m/z 31.42633918 56.31128634 3.677383288 54.91665904 33.86373997 1.296893821 41.40325968 14.54877763 8.677186076 11.23420291 0 11.12705326 39.90757829 34.13115671 34.83835417 2.69_361.2026m/z 1155.634849 1481.876383 280.9815381 17553.96113 5990.062623 1757.884598 3277.236143 2019.142554 3993.360295 5153.885258 4700.856812 1201.267433 6424.221118 5003.416983 6029.186228 6.27_377.1973m/z 690.3794273 545.3242215 129.1921388 5271.116543 2340.467858 4290.018902 3413.441526 3162.966462 2681.65111 6068.934728 6208.926325 6847.212056 3202.084045 3176.111862 3190.548786 0.82_277.0202m/z 71.59757237 87.17758919 77.50069986 61.1133458 62.50537811 87.42044026 57.68751427 81.05878159 95.09195883 92.35351616 83.61044783 107.1519852 77.80271706 88.1217731 95.98829353 5.96_208.0300m/z 143.3255939 35.12235472 27.10229773 294.5552251 167.4388444 104.6757912 89.89552842 56.64011177 121.8280804 76.61499475 93.56313197 79.73100669 97.79695617 98.58991906 97.08001693 3.56_449.1504m/z 159.5041283 160.3880045 25.72706529 651.3298261 404.9549284 248.7964863 100.2960244 73.59850335 181.7105603 219.4761578 1096.025274 2.238700648 233.9581312 192.2435612 229.5035375 0.82_279.0186m/z 453.2072434 458.6475406 490.5038625 259.2022169 463.0680916 1288.897488 333.0428603 570.9166367 724.4133639 521.9049352 801.1234061 1103.605842 649.0110367 578.9622098 657.0663312 1.95_215.0045m/z 102.9702018 27.2547883 103.639009 75.73807638 29.61423862 79.11362377 26.71465766 34.37164318 68.35771954 104.5340067 72.67106708 79.64478231 68.01163745 62.41791946 80.4361996 4.57_530.1711m/z 27.48894301 45.48210663 79.95246103 34.95095418 61.03013725 38.81886754 21.0450818 17.11987946 47.01442398 66.29789796 0 98.65181099 65.72560926 24.76595104 53.16050947 9.68_678.1910n 154.4413225 304.4553349 32.34513165 237.5218816 354.4543048 249.6994859 140.2898996 44.9583605 233.7798371 403.8832851 69.19009838 48.8696018 215.0458923 162.9130651 217.7349076 5.33_362.0923m/z 0 116.0712641 40.02297022 185.5776183 187.0570612 113.2434032 0 0 121.2050684 2.698423669 0 40.19735993 48.45040602 0 142.3910995 0.98_265.0025m/z 213.6031167 159.2041815 155.2343366 115.4247934 147.9159005 119.4144867 149.8248498 286.0931339 394.2580524 166.0625169 224.7537225 483.5840482 218.2298043 213.6056475 235.8062651 1.44_359.1926m/z 1.331815873 0 0.674151122 2.717627855 7.334389873 0.857438383 14.40509143 162.690708 9.685372597 5.184956783 0 3.220742068 13.42581606 15.22685319 9.67936898 12.03_158.9793m/z 2093.74837 2469.411186 893.1771537 45.32696524 2597.896585 542.6365467 1317.722568 473.2779345 0 207.7451063 1285.774026 1118.998568 2281.528361 3009.659412 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182.457091 23.17942017 11.88974496 190.5073604 126.1785792 180.8277719 52.34549354 3.748919066 39.9364058 42.56189312 34.58995741 76.19037861 98.38350152 84.61957808 96.86660243 3.37_268.1561m/z 252.3851552 237.1445921 183.1906494 324.6082875 277.1098559 381.8600929 155.9026285 80.57671402 145.0974171 200.5502019 41.39743317 192.4420544 201.8280739 227.914575 208.59752 3.44_186.0415m/z 202.9268656 221.7918223 228.7133123 212.6791911 240.4207189 573.6042001 931.8471643 679.8578602 931.4666762 1219.395938 1148.00477 1177.570564 564.5319832 565.7623906 547.785005 3.44_142.0520m/z 54.83269988 64.8972183 62.79189078 84.20825289 101.2328036 165.6649783 384.0730262 289.3734159 388.282019 479.9369376 443.0164385 483.0769939 215.6582901 218.1257829 208.4064771 3.44_214.1094m/z 1351.428142 217.1742591 288.4154819 942.5622925 632.0077555 653.4181133 308.2316728 173.9460471 314.7798904 389.6545242 201.3236189 318.4280008 519.2725895 504.4284507 551.1719985 3.41_232.9770m/z 6433.837146 3824.722942 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