Quant m/z Other ID Compound Ret. Index Spectra Kegg PubChem BM049394SC004 BM049394SC004 BM049429SC001 BM049429SC001 BM049429SC001 BM049429SC001 BM049429SC001 BM049411SC003 BM049411SC003 BM049411SC003 BM049411SC003 BM049411SC003 197.060476 8.162866667 290.3808725 310.0049842 216.2473498 218.0622385 244.2878092 72.03714759 96.37670876 100.590187 78.91593611 83.06521421 583.3307337 537.4591878 169.0884532 3.39205 115.7672996 110.5342243 113.8517466 130.6674042 106.5575676 134.2213297 94.02870163 118.1733398 124.1447116 150.5169024 38.2874234 41.51021843 528.3080347 11.63933333 1957.174722 1195.805926 1305.618093 1165.936248 1153.723903 790.386507 898.0718279 820.8563253 852.0772872 1007.392139 95.69086198 109.0091346 164.0719899 3.39205 142.3563031 128.3881817 140.8409122 113.3122263 160.1900678 109.2701409 10.29930115 28.07427199 45.9952694 19.30001044 50.95073807 52.64795353 540.3293522 11.37383333 1487.010201 1272.438481 1300.474876 1492.972586 1626.552784 102.3975935 163.1813088 107.6009788 90.81414747 220.7859823 0 0 478.2915402 11.55636667 997.7163207 774.9678865 785.9975171 737.4571496 901.4762289 515.6772656 428.1128504 390.8010268 586.3047035 611.322451 3.510662243 28.58876489 524.2766613 10.80133333 5519.785989 4795.418307 4724.469984 4459.609905 4254.241094 917.5241912 915.1233392 951.258738 928.0983765 1073.919357 521.3785783 461.7750291 476.2763965 10.84281667 1223.507098 1023.377133 1228.159801 1160.943929 1199.005618 314.2408004 371.049692 393.1616229 375.8069149 471.1675645 10.69240609 6.084501146 208.0976367 10.41966667 1991.077405 1822.382639 1871.061481 1867.972403 1918.847506 1014.796411 925.4204721 1038.460147 996.6949085 1034.646688 823.6474378 798.6262779 672.1366554 10.39478333 37.41891479 71.93847193 102.0421152 127.9397297 120.7825654 77.24539857 118.775189 84.79765933 119.042388 135.6690144 0 0 500.2762336 10.85111667 4367.954156 3532.577149 3800.574804 3720.94951 3870.00376 2192.614526 2023.422151 2013.756183 2153.697827 2393.829727 419.8035007 509.8560236 210.0781561 9.689533333 96.73576265 101.2965031 115.657688 102.9514467 102.9408121 410.5254267 344.7427375 357.1609939 408.1065665 372.2226003 173.7888992 97.88676256 526.2922932 11.08343333 3479.717582 2992.179997 2816.894495 2745.648679 2536.931521 960.3595658 974.5481347 966.8831079 992.8991892 1146.654835 196.7061502 138.3463411 619.2876334 10.00481667 876.0341288 708.1129171 774.3645706 708.9666817 647.2114741 270.5491419 330.2018522 335.9127706 348.5613174 367.2734433 174.1847288 199.5268713 564.3291788 10.9009 1563.024558 1459.102693 1588.273851 1722.723579 1700.596251 51.11637064 53.81143188 79.66470403 104.0474198 110.5336921 80.69226234 23.84822077 599.3181467 11.64763333 739.8728767 413.226975 545.7978954 401.3275342 388.2308419 251.625525 204.3845217 182.0172049 246.7942255 235.8585046 110.9836066 167.8717163 791.5826922 13.7053 0 2.666262141 12.25319744 6.993675864 0 0 0 0 0 0 0 0 877.6634991 13.7053 1793.602184 1717.885415 1483.25882 1580.273169 1541.081239 776.9231434 772.2804624 1050.413274 948.1021169 639.5958442 801.9731549 598.2627979 808.5741681 13.7053 2434.817379 4931.942206 2661.237157 1810.090789 1570.119693 765.268496 243.8612021 149.3483007 32.79595947 68.23410082 42.05364943 52.31106567 671.266041 12.83411667 233.4288807 178.2895761 135.1654062 193.8633476 245.7523119 167.5996347 128.841607 186.7515464 146.4503794 116.3616368 24.45614624 18.69552565 441.2029728 13.1328 4117.55128 2347.070232 2320.181377 1881.993319 1829.981155 660.8551868 582.6556339 625.1442895 580.9297087 551.4901047 1087.080412 1032.48832 891.5784301 13.7053 130.8259508 27.8262138 39.02924838 0 0 0 0 0 0 0 0 0 122.0345828 18.57571667 23.62778643 29.71339199 18.43657827 30.69145782 18.06418239 22.54836674 24.07363067 37.09574827 23.19830644 17.96387242 7.929104791 2.81894832 826.56188 19.38881667 24111.83766 11780.60738 9105.584096 3859.51489 1350.314466 22148.19453 24190.16873 25338.67403 25065.17404 24045.70046 17029.82085 16250.6882 885.5492237 15.87913333 62493.27595 30239.84104 23944.60833 11071.24921 7177.976999 37502.14765 38281.44433 39485.55544 39767.97648 38519.22275 9525.137449 9253.035951 859.5707156 13.7053 622.9691362 171.2965217 247.845041 121.6965449 73.39846754 0 0 0 0 0 0 0 906.6184419 15.55555 692.6487387 490.7502799 370.8073786 466.2336217 480.3122305 2720.883631 2489.047748 2580.147767 2457.886175 2706.304979 462.5693628 339.0461852 642.3609948 11.90483333 282.4222284 192.8696632 221.4331021 215.3627511 338.3258879 0 0 0 0 0 0 0 720.4086886 11.97121667 1063.071896 864.9122286 1000.554625 1080.712054 1238.917141 0 0 0 21.1025008 0 0 0 710.3860773 11.89655 427.3623895 176.0005512 336.4351876 305.6652803 436.1377397 0 0 0 0 0 0 0 685.3575101 11.77208333 298.5545083 182.3766095 249.7623378 232.7667309 238.664794 3.391001091 0 0 0 0 0 0 694.392325 11.81356667 1501.922017 1134.030499 1373.450155 1533.329645 1518.56674 0 0 0 0 99.56486644 0 0 638.3659774 12.06248333 2363.713247 1692.227541 1795.215873 1893.734834 2031.145809 0 0 0 139.4503587 651.0458273 0 0 698.2860766 12.83411667 741.9280382 643.1377066 621.8919469 548.5878578 551.7329046 553.1337097 532.2826838 585.9389256 589.8761865 638.1887102 204.3109727 130.1309055 681.2951164 12.83411667 640.5255205 532.1503472 513.4134858 513.7158078 412.980208 434.3523001 391.3574285 443.6861704 422.9958783 458.4705187 210.346706 143.8701801 694.4286295 12.66816667 886.8874226 450.5974726 558.131082 674.0010968 742.9179537 0 0 0 0 0 0 0 706.3565028 12.06248333 445.6185401 217.847202 275.1364179 268.7863699 322.1391301 0 0 0 0 17.3260498 0 0 664.385352 12.21183333 2826.111591 1974.456736 2066.027279 2004.94493 2312.764007 0 0 0 0 37.86575413 0 0 153.0657071 3.39205 149.2114854 134.6935119 137.9730817 136.2846378 151.8007026 172.5489415 137.1918125 152.8471916 131.5162604 172.2112364 66.11544668 54.21922255 263.8533923 0.936116667 213.7861688 271.6307306 205.7392239 229.4947789 268.2705761 502.2028346 543.6756801 547.9957829 534.3466687 527.7753759 226.9092348 206.817572 265.8536298 0.944416667 350.3228216 354.8742936 412.2122202 402.1187524 444.6385027 586.6579056 657.9432627 586.3505222 525.6319718 580.8682719 278.0129426 228.6250819 197.8077571 0.944416667 8857.121751 9135.500953 8769.231044 9237.905288 9391.825233 21577.78891 21475.2683 20973.74897 20781.15531 21026.14985 7339.234163 7303.158619 372.9995855 0.927833333 58.1502597 57.3471033 70.3437953 57.35848189 73.89756255 207.6126867 215.6595203 214.7779116 204.2274249 216.9292104 198.9943852 180.8324902 102.0562098 0.927833333 130.409268 93.41580182 143.0128712 128.1680728 127.5351698 54.43309669 24.8855251 26.81625366 34.79357543 45.0800914 57.45490906 49.42516932 313.064623 0.936116667 0 0 0 0 0 544.2053262 636.6260635 494.3990426 565.9610184 618.3944024 0 0 195.8107828 0.944416667 7516.960081 7721.189878 7416.00988 7673.611586 8001.725426 18095.09503 17854.16049 18074.99117 17595.8302 17986.46649 6374.443233 6213.580752 209.8340127 0.944416667 263.527773 179.0709407 236.6222511 233.6977873 204.8536123 331.1904483 364.191145 338.2610154 329.5096126 367.5457744 157.4108764 155.514388 202.019732 0.944416667 409.2970379 401.192743 404.0372274 406.5711552 394.9122946 206.5531325 149.5030265 170.9271951 182.094621 195.3098608 157.5375113 131.1936468 159.0088498 0.952716667 1091.790112 1096.4482 1004.314682 1090.24581 1042.077715 507.6869603 440.6312426 432.4199762 456.5326802 462.5881039 448.184923 394.2469984 199.8047957 0.944416667 4998.279324 5048.367287 5082.053231 5398.253797 5442.19398 12234.01395 12011.01363 11859.66607 11819.81057 12160.63394 4357.074776 4173.227093 343.9941745 0.944416667 190.3026318 198.670627 175.1648206 156.9153992 162.9566427 6107.77009 5975.657871 5755.395907 5973.163174 6017.454857 284.7096129 256.7308274 291.0824524 0.944416667 39.16175408 32.58819865 23.60779498 24.81665331 20.28684656 4152.760476 4025.18819 4000.264788 4207.132498 4118.832095 67.19424503 90.02013492 325.8342982 0.819966667 50.39384455 69.42739829 73.97993111 56.9030623 68.79586589 125.0060627 136.9292078 153.3734849 105.2862234 147.247406 145.2553062 154.7674349 180.9009543 0.828266667 13.44781955 17.67173288 65.4595661 41.99625924 15.9086833 110.1917186 95.66925271 87.10863548 112.9421304 96.19770717 104.7362751 107.7631733 232.9257215 0.894633333 1297.246292 1178.964558 990.3854711 1284.18623 1145.153282 299.2853061 324.2170584 403.1086334 304.3041323 435.9671566 404.492627 489.360874 138.965913 0.795066667 240.1924942 262.9565151 217.2263258 218.550815 199.2447742 81.98069828 91.33336656 108.626374 86.70749124 105.1344134 90.43038138 131.8955833 206.9725179 0.819966667 13278.46194 13392.35454 12657.95247 13782.86819 13567.54209 5156.529976 5116.331964 5279.702643 4840.031981 5536.039944 5622.19008 5343.849305 162.9830515 0.819966667 362.9284716 357.0963576 364.7586555 337.2098454 399.4331217 130.8310687 147.6561059 163.993866 138.4858043 196.4401393 186.3887691 166.3346024 172.9559813 0.894633333 867.617099 835.3128709 791.1811051 890.4526402 896.4426492 176.5044418 224.3115423 264.4387272 208.8442477 227.9027017 372.9630453 464.4995129 162.9078616 0.919533333 172.4406895 119.9767984 131.4096919 123.1319287 492.7962369 435.2058714 537.8356049 533.0255204 463.4821254 635.4117756 485.6598503 344.0601056 315.0406028 0.927833333 2048.740296 2166.493969 2206.410626 2075.140798 2199.736685 6337.088113 6126.773418 6032.333545 6094.9569 6292.729586 5313.557282 5372.834718 146.0459054 0.927833333 885.1147207 957.0364943 917.8332456 901.8572132 925.9158309 326.027953 340.0362607 316.3129757 268.5440202 293.141606 464.1777076 430.5652303 346.8768225 0.894633333 1815.758966 1827.595269 1579.61618 1896.192328 1813.515283 314.822145 443.0838483 440.8592475 277.8262995 466.6208066 777.0508616 726.2649344 124.0083607 0.902933333 261.9829082 277.0329142 290.4823216 249.9818335 302.0749117 196.0936489 141.8206165 178.9500771 178.1724421 156.2679992 35.67637309 55.18567084 225.9878652 0.919533333 152.3557155 126.8747241 88.49009991 90.41637522 137.2480376 10.91828203 35.09896527 33.46453832 41.04555131 23.95178223 35.87869341 41.34436822 135.031384 1.367566667 244.0848789 262.1944426 266.0609455 259.0461269 288.475626 0 11.79875829 15.35792382 1.146542911 12.77959442 48.69389872 21.83398438 237.0064876 1.367566667 131.8502414 130.7836345 128.0529063 167.3362 171.3132378 180.6249151 235.5433568 189.0258562 266.9796905 235.5203937 81.44421687 105.4139847 400.9430015 1.367566667 80.08986195 85.26106309 55.3973856 105.6970899 84.82325958 156.8061172 138.373819 202.8039081 200.3303466 219.1298365 57.63423157 37.41476822 187.0419351 1.367566667 538.830094 479.1760702 541.6695904 471.6935369 493.8993617 1372.231411 1459.650305 1388.143824 1379.575293 1516.785712 214.1771245 253.5125069 89.02470786 1.367566667 224.8996863 230.5879524 213.1537496 227.7611567 235.5734277 494.0219467 479.7105993 427.4292348 497.9460638 407.5139612 176.1479314 163.0853119 178.920231 1.367566667 338.4977588 392.6166156 318.2621652 327.9416227 349.1743156 616.5017711 584.971212 674.0129052 618.066519 655.8639665 163.05356 265.0179262 186.045487 1.367566667 88.85294839 85.15370178 118.1264243 78.97481537 93.28257108 259.6908531 283.769249 317.7018552 297.3357582 282.5142788 22.58032322 37.34850213 441.1139865 3.39205 557.8363528 594.8233684 574.9351713 576.6259617 550.7035762 563.8330978 533.7453825 546.0774094 532.3004185 635.002399 152.2990705 207.7848969 482.0120373 3.39205 304.2538891 359.9390752 371.3081572 358.8346315 400.5998091 382.2872124 377.8724145 413.2508441 375.4003881 459.4921543 104.2622209 84.53296324 363.1722382 3.39205 143.2210579 129.7028376 190.8499143 188.0118999 190.5561951 191.3158653 164.7160048 147.9306156 173.3867736 212.9954354 50.7881012 23.69176274 114.0260437 1.375866667 40.27027887 53.18220345 44.37094046 48.56998067 34.19751657 92.43350414 67.51524586 107.10304 69.36530759 106.6831367 11.7577982 27.26778256 170.0916122 3.39205 5047.493306 4988.769101 5141.941106 4996.363477 5018.777584 5176.062875 5076.007383 4865.826319 4973.387397 5070.398699 2341.643657 2328.115556 431.0853914 3.39205 1261.993721 1291.440714 1193.175147 1173.724151 1252.074768 1293.253743 1130.91108 1385.02007 1308.166689 1253.50463 307.9290512 258.6281718 232.0123074 0.952716667 915.0323472 929.9629186 853.1343133 847.2306329 966.2417486 410.6705369 375.9129975 368.602419 388.8726538 438.7331519 488.0113521 369.1637042 130.0173513 0.952716667 271.1314197 249.3941628 249.8465622 260.7566859 265.6239572 129.7866609 132.0328861 118.1825625 106.9191371 141.297719 100.4216516 91.27941209 246.02688 0.952716667 409.9921381 406.195431 311.4540906 387.0371706 392.195737 183.7332572 182.5887332 162.4610923 146.5449903 183.5667838 165.256796 169.6369137 233.008737 0.952716667 1512.246576 1500.36488 1370.874935 1483.318207 1490.01111 683.4590914 719.1683885 606.4311615 636.404762 699.9296727 605.2562294 671.7205331 248.0237148 0.952716667 1556.841404 1573.247378 1488.285244 1563.92725 1657.028552 763.4904615 792.0596778 693.075849 655.0619194 692.9276173 649.6640666 647.9917739 274.0210645 0.952716667 873.8666534 924.4638949 839.8307275 841.6559036 876.565392 450.6277138 429.3768421 389.7845772 396.5033489 412.1306436 300.5052989 396.9504258 197.8825131 0.952716667 0 0 0 0 0 110.8177499 195.8077062 232.7433043 167.9011425 295.4411782 0 0 226.993515 1.110366667 568.9949311 583.293139 580.0317966 591.2262815 537.2867478 221.1005486 191.9783776 218.2565232 205.5520653 217.0275357 222.459797 307.6823893 347.0393316 1.185033333 1310.991133 1282.606019 1270.634231 1257.811155 1272.026676 39.18354774 20.18683134 37.50590128 47.59168646 58.43682672 17.22640991 46.92235832 346.0547803 1.2929 1223.109686 1202.572362 1107.325229 1157.4438 1213.754468 360.6419247 324.2491441 355.9744265 330.6683279 340.1667656 415.6418825 448.2327172 558.0635203 0.9942 588.280334 662.8558402 582.6259494 565.2787084 557.8016134 125.1572545 114.9979347 109.7723703 97.93371606 103.210376 651.2302257 738.3189356 114.056106 1.027383333 194.251182 123.1180752 152.8318773 203.1191072 150.0781427 0 16.77586077 12.70109283 23.67689783 15.6895154 28.38306183 13.46482885 323.0283525 1.043983333 422.9841912 410.2721603 415.8731424 436.342179 400.4554799 29.63740563 18.1736908 78.2717081 61.21363828 31.70175932 44.27904668 57.74810213