Quant m/z Other ID Compound Ret. Index Spectra Kegg PubChem ms5047-1-1 ms5047-1-1 ms5047-1-1 ms5047-1-2 ms5047-1-2 ms5047-1-2 ms5047-1-3 ms5047-1-3 ms5047-1-3 ms5047-2-1 ms5047-2-1 ms5047-2-1 ms5047-2-2 ms5047-2-2 ms5047-2-2 ms5047-2-3 ms5047-2-3 ms5047-2-3 ms5047-3-1 ms5047-3-1 ms5047-3-1 ms5047-3-2 ms5047-3-2 ms5047-3-2 ms5047-3-3 ms5047-3-3 ms5047-3-3 120.0436 120.0436@0.67199874 0.67199874 19.601044 19.065739 17.731213 16.898165 20.211075 20.90582 21.557222 19.65561 19.722391 20.350147 20.914013 20.83539 19.67138 20.736612 19.124006 18.914452 19.037115 18.743631 17.892809 20.934547 19.751675 20.645716 20.75494 20.932625 20.917028 20.893143 18.43033 115.0635 115.0635@1.0119973 1.0119973 20.57551 20.552494 20.574509 20.820248 20.80709 20.819859 20.815153 20.811949 20.81097 20.733974 20.721043 20.731764 20.688124 20.683311 20.66684 20.151731 20.196217 20.170595 20.730227 20.726698 20.709702 20.802883 20.778996 20.799215 20.691336 20.664064 20.661814 358.3073 358.3073@13.741976 13.741976 19.92322 19.484781 19.483965 17.765596 17.656265 17.609531 20.479507 19.53651 19.443413 19.364763 19.059954 19.170715 18.700693 18.504137 18.352474 17.303139 17.258013 17.193804 16.732035 16.479181 16.572004 19.584385 19.253202 19.122822 18.350485 18.152384 18.084263 921.0026 921.0026@0.81999826 0.81999826 0 19.271713 17.252066 18.781311 18.501984 19.286995 18.219423 18.982716 17.788216 16.880802 16.807318 17.750877 17.341467 19.663351 19.528303 19.172886 16.916836 19.68197 17.907377 17.264149 18.431253 20.42334 17.429855 17.511229 18.994371 18.623417 18.786257 69.0586 69.0586@1.0119973 1.0119973 19.820335 19.809103 19.80198 20.041069 20.0358 20.044416 20.049576 20.057314 20.051243 20.003937 19.997581 19.987667 19.92571 19.934803 19.937237 19.522661 19.541636 19.51424 19.973024 19.979483 19.98421 20.06622 20.04364 20.064333 19.949078 19.934702 19.940048 120.0435 120.0435@0.81999826:1 0.81999826 20.328005 17.233572 17.363262 16.894203 20.284664 19.25694 21.561703 20.465319 17.905617 17.722073 18.142338 18.271727 18.329565 17.80639 17.567957 15.425774 15.468846 17.769896 17.920696 18.634308 16.087421 18.631777 18.522999 18.580545 17.602707 19.213343 15.350388 85.0894 85.0894@2.2139914:1 2.2139914 19.515167 19.587702 19.416777 20.117756 19.973604 20.71315 0 19.961761 20.668823 19.84597 20.49147 19.774483 19.61948 19.73255 19.674671 18.723644 18.913404 18.92081 20.561392 19.78598 19.899794 19.886904 19.97659 19.932384 20.44177 19.702612 19.720022 174.1117 174.1117@0.895998 0.895998 19.727327 19.726599 19.716131 19.912436 19.913313 19.91475 19.853783 19.80364 19.8141 19.702803 19.689642 19.696775 19.624792 19.628092 19.622448 19.26297 19.258757 19.260126 19.68247 19.664352 19.625805 19.771809 19.773153 19.75371 19.74697 19.743284 19.739294 238.1413 238.1413@4.0269785 4.0269785 19.59949 19.558058 19.539991 19.65728 19.674805 19.671234 19.62032 19.615482 19.63049 19.646011 19.651772 19.608334 19.686874 19.705423 19.690765 19.590984 19.59991 19.583761 19.608059 19.618534 19.624943 19.651724 19.662003 19.667236 19.781239 19.747934 19.776707 120.0435 120.0435@0.81999826:2 0.81999826 0 17.293015 17.724981 16.898165 20.274714 19.25609 21.557222 20.457708 17.905968 0 17.113539 18.39868 18.433031 18.5553 19.124006 15.494167 15.530925 17.748154 18.001013 18.76304 16.169123 18.762554 18.606554 18.710201 0 19.217945 15.336751 120.0349 120.0349@0.6969986 0.6969986 19.591387 19.065739 17.724981 16.898165 20.211075 20.90582 21.557222 17.980848 19.722391 20.350147 20.914013 20.83539 20.438536 20.736612 19.124006 18.914452 19.037115 17.748154 18.427624 20.934547 19.751675 20.645716 20.75494 20.932625 17.602707 20.718624 18.43033 131.0943 131.0943@2.2139914 2.2139914 19.752586 19.744743 19.726421 19.578499 19.511862 19.480186 0 19.661993 19.485321 20.012962 20.004255 19.287634 19.186739 19.898937 19.889185 19.012573 19.000282 18.306364 20.063581 20.055792 20.08209 20.143494 19.39284 19.406006 19.936493 19.94332 19.933336 120.0436 120.0436@1.0949973 1.0949973 18.554443 18.129675 17.809736 0 19.096378 18.429314 18.339281 18.069166 19.362051 18.182268 18.114643 20.601284 18.265482 19.649721 20.657198 16.081213 18.602076 0 20.460848 19.498116 19.337957 18.427788 19.31774 0 16.261892 20.016481 17.977152 54.0475 54.0475@1.2479967 1.2479967 19.101675 19.07153 19.071672 19.533411 19.540197 19.55095 19.489738 19.486198 19.508713 19.393223 19.403265 19.407694 19.301945 19.29158 19.289835 18.608955 18.601368 18.623507 19.43571 19.460169 19.476412 19.498125 19.47934 19.494864 19.343695 19.354221 19.350616 921.0025 921.0025@0.81699824 0.81699824 16.420603 19.271713 16.691662 18.781311 18.417274 19.286995 18.22707 18.982716 17.788216 0 16.22502 18.082943 17.341467 19.663351 19.528303 19.172886 16.916836 19.687925 17.907377 18.002441 18.431253 19.393105 17.51227 17.506222 16.417917 19.686064 18.80046 120.0436 120.0436@0.81199825 0.81199825 20.328005 16.917675 17.363262 20.199259 20.284664 19.25694 21.561703 17.981255 19.73107 17.722073 20.912878 18.271727 19.665182 20.02387 20.461826 18.926332 19.052505 17.769896 18.357235 18.634308 16.087421 20.64704 20.755068 18.580545 0 20.72171 18.464937 202.0452 202.0452@0.91299796 0.91299796 18.858482 18.83225 18.85563 19.472536 19.5554 19.471996 18.86207 18.84745 18.859804 18.72506 18.729507 18.716343 18.794079 18.793848 18.757465 17.451252 17.465702 17.511042 18.909025 18.916815 18.921997 18.760077 18.789286 18.785385 18.505756 18.48722 18.520565 135.0545 135.0545@1.3279961 1.3279961 19.193407 19.147642 19.167196 19.469492 19.425161 19.434547 19.426046 19.439987 19.441708 18.708965 18.71679 18.707434 18.617973 18.574427 18.613625 18.153097 18.174809 18.17724 18.92839 18.918358 18.908583 18.971264 18.956951 18.968834 19.074907 19.041033 19.01921 68.0628 68.0628@1.9459932 1.9459932 18.925375 19.009974 18.916142 19.41035 19.526299 19.424551 19.43229 19.339474 19.431229 19.272432 19.242048 19.276152 19.166807 19.155418 19.057455 18.24135 18.155827 18.216959 19.20309 19.31657 19.313517 19.322115 19.306086 19.34254 19.161732 19.176699 19.209002 85.0894 85.0894@2.1229925 2.1229925 18.82139 18.707554 18.919289 19.128586 19.403908 20.711626 19.813704 19.281425 20.66726 19.02303 20.491114 19.116453 18.927172 18.89403 18.934732 19.55085 18.04625 18.078672 20.561775 19.271275 19.100069 19.31233 19.130487 19.270864 20.441967 19.15259 19.07753 282.1675 282.1675@4.3189754 4.3189754 18.766287 18.72488 18.75853 18.969395 18.952738 18.908298 18.866312 18.863956 18.911486 18.92158 18.945227 18.892166 18.973726 19.018206 19.016777 18.865452 18.844255 18.81655 18.923214 18.901842 18.925001 18.96464 18.959578 18.961113 19.151386 19.136175 19.107513 194.115 194.115@3.662981:1 3.662981 20.072258 20.071434 20.037231 20.095692 20.088097 20.067884 19.55795 20.060528 20.055817 19.92304 20.08221 20.049513 20.09214 20.094427 20.038511 19.98251 20.053364 20.023188 20.00031 20.059498 19.943783 19.962368 20.070545 19.921782 20.059248 20.058271 20.014612 85.0893 85.0893@1.9459932 1.9459932 18.886372 18.964186 18.86866 19.366213 19.48377 19.381273 19.429241 19.29236 19.383509 19.226742 19.199284 19.22764 19.031134 19.110086 19.014042 18.19367 18.20722 18.21429 19.158604 19.27148 19.270117 19.277758 19.257444 19.29766 19.115995 19.130445 19.162521 68.0628 68.0628@1.7829942:1 1.7829942 18.561293 18.414524 18.543144 19.181152 19.045061 19.171833 19.321362 19.166048 18.986723 18.79908 18.836601 18.831808 18.72876 18.630596 18.769238 17.88647 17.935303 17.879385 19.071142 18.940058 18.958233 19.081228 19.04748 19.051558 18.861038 18.75568 18.733234 148.0522 148.0522@3.3829837 3.3829837 18.525871 18.544432 18.497076 19.00976 19.029144 19.00993 18.97257 18.952547 18.999907 18.960352 18.964567 18.936344 18.859112 18.86312 18.872765 18.102755 18.103973 18.122353 18.959461 18.960129 18.962849 19.03991 19.051498 19.055481 18.818293 18.788465 18.814224 921.0025 921.0025@0.81399816 0.81399816 16.420603 19.271713 16.691662 18.781311 18.404531 19.286995 18.219423 18.982716 17.788216 0 17.975613 18.082943 17.341467 19.663351 19.528303 19.09367 19.283175 19.687925 17.907377 18.002441 18.431253 20.42334 17.92827 17.506222 16.417917 19.686064 18.80046 120.0436 120.0436@0.6519988 0.6519988 19.591387 20.920061 20.90448 20.57896 20.91101 21.426697 21.225668 19.905167 21.12068 20.350147 20.914013 20.83539 19.160738 20.736612 19.124006 18.914452 19.037115 18.828661 17.892809 20.934547 19.751675 20.645716 20.75494 20.932625 20.924686 20.893524 18.43033 117.1149 117.1149@1.2839966 1.2839966 15.959821 15.341102 16.745924 18.6381 18.73707 18.970469 17.3273 16.94319 17.229664 17.09983 17.225237 17.372822 17.218998 17.089533 17.224886 16.363964 16.659842 16.740137 18.247862 18.24485 18.980585 17.531908 17.33999 17.765266 17.299744 17.280617 17.4588 102.0467 102.0467@3.3829837 3.3829837 18.417486 18.449621 18.403568 18.918457 18.921085 18.903654 18.868467 18.864407 18.901096 18.859734 18.84837 18.851795 18.765644 18.764317 18.775623 18.04835 18.039059 18.041162 18.87186 18.874714 18.878551 18.966373 18.945204 18.955082 18.74138 18.693626 18.723372 131.0943 131.0943@2.2109916 2.2109916 19.75245 19.745373 19.72701 20.269356 20.268297 19.00082 20.182743 18.47258 18.819546 20.013409 20.00462 19.99704 18.490805 19.898823 18.594896 19.012505 18.997643 17.669834 18.339024 20.055866 20.0826 20.143385 18.757977 20.123999 19.936306 18.636454 19.93322 382.1079 5,7,8-Trihydroxy-3-methoxyflavone 8-((E)-2-methylbut-2-enoate) 0.915998 17.803885 17.78134 17.775946 18.5125 18.641861 18.527721 17.5006 17.492378 17.503204 17.370262 17.34821 17.341875 17.517424 17.4743 17.482414 15.698081 15.727708 15.777974 17.622473 17.614048 17.63011 17.332403 17.363537 17.372099 17.02527 17.020405 17.025206 120.0456 120.0456@0.81999826 0.81999826 0 18.15315 17.710646 16.901009 20.282206 19.25693 21.559258 20.464157 19.730524 17.805315 20.533978 18.40263 18.442299 16.94192 19.196318 15.812278 15.529766 17.748598 18.430223 18.770844 16.169455 18.762459 18.603561 18.714422 17.59697 19.71402 16.5599 131.0942 131.0942@1.7829942:1 1.7829942 17.711634 17.775778 17.79701 18.348127 18.324123 18.326424 18.58991 18.299643 18.318048 18.0653 18.063906 18.066122 18.021175 17.91863 17.908318 17.034294 16.998238 16.99548 18.269459 18.159039 18.184372 18.27226 18.272316 18.175545 18.065432 17.986637 18.020687 176.0472 176.0472@9.507942 9.507942 18.402071 18.397963 18.380056 18.271841 18.287807 18.276484 17.983961 18.018026 18.034279 17.907177 17.901756 17.918083 18.32228 18.351788 18.351055 18.40275 18.410717 18.423555 18.473341 18.500938 18.505617 18.618525 18.633713 18.612947 18.375706 18.378998 18.377468 326.1936 326.1936@4.567974 4.567974 17.954212 17.94649 17.919975 18.248928 18.254894 18.201752 18.190027 18.16246 18.16872 18.087101 18.11962 18.081484 18.233246 18.195627 18.198137 18.016874 18.002491 18.024204 18.095428 18.089062 18.11331 18.2281 18.171371 18.197874 18.526274 18.525969 18.505932 162.1254 162.1254@6.397958 6.397958 18.005257 18.03294 18.019852 18.028517 17.99543 18.010872 17.711647 17.732075 17.718533 18.074936 18.110014 18.116825 18.56336 18.575502 18.565897 18.52339 18.542505 18.510069 18.376444 18.417072 18.443554 18.4177 18.405308 18.413517 18.243626 18.24652 18.240168 120.0435 120.0435@0.82099813 0.82099813 19.134262 17.91613 17.724981 16.898165 20.274714 19.25609 21.557222 17.980848 17.905968 18.397783 18.268263 18.39868 18.433031 18.5553 0 15.494167 15.530925 17.748154 18.001013 18.76304 16.169123 18.762554 0 18.710201 16.152306 19.217945 15.336751 921.0025 921.0025@0.559999 0.559999 16.410866 20.71229 16.745607 18.70144 18.906008 19.400173 19.086332 0 19.428886 18.975239 17.948053 19.925173 19.28924 19.131891 19.923866 19.382631 18.938063 18.98316 18.315277 18.002441 19.278112 19.418724 16.825033 19.702486 16.417917 18.890875 19.157927 636.296 636.296@12.863963 12.863963 15.845172 15.366869 15.233658 14.231895 14.017678 13.9675865 18.474827 17.305117 17.195276 15.304386 15.013932 15.188279 14.93581 14.636794 14.5377035 13.697945 13.620678 13.58273 12.682555 12.431236 12.765907 16.175219 15.830787 15.604119 13.122991 13.052908 13.022021 131.0941 131.0941@1.9399931 1.9399931 18.194777 18.105843 18.053057 18.748728 18.788845 18.753498 18.844631 18.578915 18.546534 18.479673 18.445343 18.44685 18.299696 18.326653 18.300884 17.27435 17.300682 17.317951 18.37774 18.515537 18.520023 18.500275 18.412876 18.576149 18.317364 18.28116 18.269514 129.0425 129.0425@0.918998 0.918998 18.377182 18.368612 18.348135 18.40981 18.300093 18.372461 18.408117 18.388308 18.401337 18.116333 18.109571 18.095974 17.901384 17.888708 17.924227 17.522635 17.526407 17.543734 18.257341 18.238638 18.24075 18.27181 18.264645 18.267677 18.257807 18.261742 18.262379 90.0315 90.0315@0.92299795 0.92299795 17.11145 17.082336 17.034542 17.39815 17.329866 17.343029 17.146172 17.13261 17.153849 16.980665 16.944986 16.91644 16.886244 16.860056 16.887434 16.073557 16.074017 16.042963 17.038115 17.019005 17.010714 17.005821 16.984596 17.032606 16.934795 16.860336 16.899853 117.0787 117.0787@1.2479967 1.2479967 17.809649 17.773113 17.71722 18.168339 18.148417 18.252666 18.063337 18.133017 18.078188 18.049902 17.990902 17.99924 17.864597 17.862528 17.870821 17.25561 17.10507 17.150402 18.046207 17.996319 18.139887 18.045828 18.019184 18.11675 17.896048 17.933575 17.890419 174.1113 174.1113@0.895998 0.895998 19.724981 19.724174 19.714037 19.909748 19.910748 19.912243 19.848316 14.603859 14.470151 19.700417 19.687288 19.694227 19.622952 19.626446 19.62085 19.26177 19.257345 19.25907 19.679762 19.661465 14.427967 19.76636 19.767466 19.74779 19.742119 19.7382 19.735094 194.115 194.115@3.662981:2 3.662981 20.100748 20.072006 20.037231 20.058546 20.088097 20.067884 19.55795 20.060905 20.055817 19.92304 20.08185 20.051294 20.09214 20.094427 20.036592 19.98251 20.053364 20.023188 19.956251 19.997852 19.943783 19.962368 20.070545 19.921782 20.059248 20.056864 20.014687 921.0025 921.0025@0.81799823 0.81799823 16.420603 19.271713 19.106003 18.781311 18.50132 19.286995 18.22707 18.982716 17.788216 16.889849 16.975557 16.960386 17.341467 19.663351 19.528303 19.172886 16.916836 19.68197 17.907377 18.002441 18.431253 20.42334 17.51227 17.506222 19.163666 19.686064 18.80046 330.2761 330.2761@13.127965 13.127965 16.948698 16.42921 16.454508 14.482178 14.465567 14.411047 17.798838 16.705038 16.623768 16.360676 16.039476 16.116608 15.543576 15.33804 15.209796 14.320095 14.194218 14.19468 13.489096 13.159556 13.374089 16.529156 16.180782 16.07163 15.143941 15.01959 14.912468 370.2197 370.2197@4.789972 4.789972 17.092623 17.074987 17.097157 17.435963 17.453085 17.49388 17.34993 17.347189 17.355953 17.592201 17.569092 17.595985 17.727795 17.703268 17.704288 17.341423 17.316883 17.314247 17.553982 17.554348 17.588877 17.716063 17.699741 17.687574 17.835823 17.838564 17.825102 103.0996 2-Amino-3-methyl-1-butanol 0.93599784 17.505997 17.480364 17.465893 17.972773 17.9572 17.959658 17.348848 17.356632 17.377464 17.076637 17.063986 17.074507 17.110697 17.086987 17.103575 15.822994 15.807959 15.857397 17.802074 17.784029 17.81867 17.682858 17.65063 17.682611 17.77036 17.786102 17.777037 131.0941 131.0941@2.2129917 2.2129917 19.748648 19.743063 19.723537 20.264683 18.963987 18.997 20.178179 18.472366 18.813578 20.009434 20.00024 19.993029 18.48714 19.89532 19.88467 19.01181 18.996681 17.66876 18.33398 20.051012 20.077621 20.138817 18.753012 20.11905 19.932241 19.939953 19.928827 187.0629 187.0629@3.9279788 3.9279788 17.061308 17.045055 17.055122 17.657534 17.633783 17.621874 17.586554 17.595533 17.624596 17.52406 17.494677 17.51607 17.369265 17.370525 17.350119 16.48586 16.474594 16.502878 17.599644 17.619955 17.591953 17.713306 17.6988 17.738132 17.45339 17.45908 17.438133 120.0561 120.0561@0.81999826 0.81999826 0 17.293015 17.724981 16.898165 20.274714 19.25609 21.557222 20.457708 17.905968 0 17.113539 18.39868 18.433031 18.5553 19.124006 15.494167 15.530925 17.748154 18.001013 18.76304 16.169123 18.762554 18.606554 18.710201 17.602707 19.217945 15.336751 129.0426 129.0426@1.3309964 1.3309964 16.441484 16.413992 16.426493 16.796167 16.813118 16.820217 16.759018 16.74069 16.74751 17.46056 17.409798 17.473349 17.667042 17.659592 17.677017 17.544014 17.511707 17.520395 17.4759 17.48864 17.46708 17.531746 17.52376 17.536436 17.513264 17.488617 17.47718 148.0158 148.0158@9.507942 9.507942 17.376345 17.389202 17.392015 17.244122 17.297596 17.282581 17.044981 17.004438 17.07787 16.932375 16.90885 16.954979 17.365143 17.368532 17.40564 17.399578 17.433594 17.42782 17.498476 17.48417 17.541126 17.662535 17.65821 17.629961 17.41252 17.408936 17.417284 921.0011 921.0011@0.81399816 0.81399816 16.43006 19.268858 16.710135 18.784197 18.497007 19.296083 18.209967 18.979939 17.770792 16.841797 18.00695 17.090816 17.34949 19.664602 19.527895 19.10162 0 19.701355 17.90946 18.013208 18.427685 20.433134 18.145325 17.48365 16.426313 19.053215 18.830421 149.1201 149.1201@4.567974 4.567974 18.077698 18.333767 19.590796 18.177658 18.121357 19.286089 18.232256 19.591566 19.350203 19.467602 16.944391 17.022802 16.984074 16.930967 16.955093 17.038502 16.98394 19.434708 17.043016 16.984753 16.936121 16.973654 18.141829 16.84998 19.291105 18.072096 18.116663 194.1151 194.1151@3.6639812 3.6639812 20.060104 20.079819 20.030054 20.095692 20.109749 20.063547 17.419498 20.084015 20.055817 19.92304 20.08221 20.052483 20.09214 20.094427 20.036592 19.98251 20.053364 20.023188 19.956251 20.00244 19.95375 19.969942 20.070545 20.01321 20.058006 20.056864 20.018023 222.0887 222.0887@9.507942 9.507942 17.119225 17.089418 17.112522 16.982447 17.041199 16.985865 16.772856 16.76133 16.773964 16.621021 16.628632 16.634684 16.985163 17.049934 17.016666 17.089037 17.128185 17.116333 17.173061 17.170599 17.213123 17.319973 17.322191 17.297293 17.088427 17.096231 17.105457 414.2036 414.2036@10.138942 10.138942 16.653307 16.660261 16.63315 16.683434 16.702295 16.668608 17.11192 17.125978 17.10422 16.777487 16.756153 16.762499 17.25175 17.231804 17.21543 16.748638 16.76763 16.731995 16.779848 16.795355 16.78027 17.004736 17.010769 16.99783 16.506758 16.490444 16.47004 431.2721 431.2721@4.98097 4.98097 16.376583 16.354818 16.336506 16.779604 16.783957 16.808323 16.699585 16.66285 16.690187 17.233929 17.225538 17.207052 17.318579 17.329332 17.280933 16.684858 16.671928 16.705578 17.174467 17.21593 17.206709 17.28883 17.257498 17.29285 17.30179 17.263939 17.270222 85.0894 85.0894@2.2139914:2 2.2139914 19.515167 19.585 19.416214 20.117409 19.973604 20.712887 0 19.965076 20.66889 19.84596 20.490938 19.763168 19.61948 19.744284 19.695547 18.728197 18.913404 18.92081 20.561392 19.78598 19.899878 19.886904 19.975937 19.932404 19.742502 19.152817 19.720022 83.0374 83.0374@0.91999793 0.91999793 17.372576 17.38651 17.37306 17.443777 17.378607 17.44194 17.485476 17.322165 17.531975 17.280163 17.31766 17.309574 17.107708 17.15171 17.034883 16.886269 16.879068 16.873095 17.384422 17.338474 17.385088 17.43927 17.440277 17.410162 17.361258 17.409441 17.380276 475.2983 475.2983@5.1509686 5.1509686 15.98884 15.935579 15.965739 16.404493 16.452707 16.444288 16.317978 16.32265 16.332857 17.134476 17.13878 17.146618 17.174204 17.160885 17.1403 16.347172 16.334936 16.294388 17.113508 17.121918 17.096962 17.194746 17.178675 17.160826 16.896368 16.92596 16.909037 563.3508 C22 H51 N4 O12 5.444967 15.498475 15.537765 15.502428 15.998061 15.992385 15.98915 15.914386 15.908861 15.898151 17.010178 17.004187 16.98092 16.897385 16.877691 16.901468 15.990082 15.953878 15.965716 16.95684 16.975323 16.956501 17.029211 17.003277 16.975311 16.628874 16.58533 16.627804 519.3245 519.3245@5.3049664 5.3049664 15.719228 15.71489 15.709568 16.172426 16.19929 16.188087 16.114109 16.103924 16.104046 17.019972 17.037975 16.993734 16.949575 16.919167 16.956955 16.062088 16.046356 16.05814 16.99202 16.97899 17.005318 17.020285 17.000418 17.023201 16.743164 16.767202 16.740387 337.3338 337.3338@14.341989 14.341989 15.455199 14.9099865 14.897798 15.307449 15.179131 15.1706295 16.9026 15.660942 15.630694 13.975938 13.806952 13.86409 15.480443 15.24663 15.101401 13.428491 13.351078 13.333015 0 0 0 16.168886 15.870605 15.697484 15.674799 15.522704 15.394228 68.0628 68.0628@1.7829942:2 1.7829942 18.561293 18.414524 18.543144 19.181152 19.045061 19.171833 19.320774 19.166048 18.986723 18.79908 18.836664 18.831808 18.708181 18.629433 18.769238 17.88647 17.935303 17.879385 19.071142 18.940058 18.958593 19.080305 19.04748 19.051558 18.861038 18.755379 18.733234 89.9697 89.9697@0.85099846 0.85099846 17.202114 17.164955 17.158264 0 17.246109 17.256163 17.24244 17.228622 17.250261 0 17.203165 0 0 17.153286 17.204151 17.165024 16.651907 17.144888 17.189949 0 0 17.208263 17.208225 17.211784 17.167133 17.16256 17.161358 590.3502 Malyngamide J 5.5709653 15.606376 15.615973 15.6164055 16.113295 16.10296 16.102222 16.049742 16.02176 16.050976 17.138193 17.113682 17.142305 16.995546 16.972576 17.030237 16.153433 16.133564 16.155273 17.07598 17.106 17.084892 17.127823 17.134155 17.117825 16.758926 16.759693 16.74591 164.0469 164.0469@1.597995 1.597995 15.983951 15.922445 15.938638 16.703362 16.731186 16.704754 16.576616 16.400112 16.341848 16.544058 16.587513 16.590397 16.392939 16.308695 16.33499 15.571367 15.700332 15.718693 16.780924 17.624226 17.104895 16.662252 16.60503 16.654049 15.829078 15.624653 15.705471 144.042 144.042@0.9239979 0.9239979 16.84899 16.827429 16.796307 17.091198 17.054392 17.101215 16.885483 16.845367 16.863993 16.67772 16.665752 16.653868 16.53731 16.551813 16.531776 15.8586855 15.828806 15.899097 16.767744 16.739794 16.748913 16.686815 16.739702 16.745085 16.604393 16.619646 16.603395 135.0569 135.0569@1.4419959 1.4419959 15.965875 0 15.87378 16.786283 16.871063 16.97437 0 0 0 0 16.300228 0 15.880085 16.363314 0 15.366493 0 15.205793 17.01511 16.978878 17.055738 0 16.619905 0 16.56336 0 16.882393 106.0627 106.0627@6.3969584 6.3969584 16.47223 16.468529 16.477173 16.441858 16.46362 16.47418 16.244179 16.22402 16.238161 16.544512 16.583803 16.590776 16.991589 17.038834 17.050423 16.987852 17.021826 16.979145 16.83748 16.92163 16.899675 16.880648 16.871893 16.88847 16.69489 16.734512 16.722609 132.024 132.024@1.3309964:1 1.3309964 16.40544 16.419746 16.396973 16.837381 16.838896 16.85258 16.896593 16.79999 16.828495 16.884289 16.884922 16.882822 16.779346 16.767332 16.777025 16.232946 16.218489 16.208347 16.84191 16.856085 16.871124 16.980553 16.97041 16.97635 16.887375 16.878986 16.818033 634.3758 Digitoxigenin bisdigitoxoside 5.6909637 15.387109 15.3926525 15.378397 15.892969 15.911368 15.87503 15.802466 15.784302 15.850798 16.896711 16.875198 16.889256 16.786385 16.742678 16.785337 16.018353 15.979469 15.995612 16.814507 16.814734 16.796839 16.891867 16.856073 16.917395 16.617094 16.612753 16.606447 194.1152 194.1152@3.662981 3.662981 20.101114 20.068516 20.037231 20.095692 20.088097 20.067884 19.55795 20.086063 20.055817 19.92304 20.08221 20.051294 20.09214 20.094427 20.036592 19.98251 20.053364 20.023188 20.00031 20.059498 19.953379 19.962368 20.062801 19.921782 20.029848 20.058271 20.033756 196.093 196.093@0.88399804 0.88399804 15.637558 15.675378 15.750497 16.065163 16.012537 16.083584 16.846996 16.82676 16.895658 16.291136 16.280172 16.279373 15.778206 15.794314 15.757493 16.626692 16.661556 16.70779 15.95422 15.961676 16.042984 16.758406 16.781244 16.801355 16.831827 16.837664 16.83326 164.0469 164.0469@1.4149958 1.4149958 16.563763 16.565578 16.513712 16.85985 16.851652 16.871809 16.958904 16.947592 16.88139 16.973944 16.93271 16.948698 16.697538 16.702768 16.674316 16.193525 16.165436 16.186153 16.379345 0 15.98722 16.959572 17.00456 17.023993 16.316706 16.3146 16.27972 168.0871 168.0871@0.8549981 0.8549981 C08935 16.445015 16.422443 16.405691 16.716887 16.725433 16.673765 16.68691 16.661917 16.655167 16.207663 16.218601 16.199423 16.23019 16.163395 16.186598 15.901927 15.338911 15.884743 15.870605 15.849918 15.793476 16.229027 16.201454 16.191908 16.533787 16.509405 16.493261 674.3701 Cimicifugoside 5.617964 14.958055 14.872146 14.900631 15.420388 15.456836 15.450631 15.343221 15.327622 15.354318 16.696356 16.71082 16.722807 16.361258 16.366714 16.373697 15.121817 15.116262 15.142546 16.644293 16.665377 16.698637 16.630636 16.633917 16.658085 15.80821 15.836395 15.798573 647.3701 647.3701@5.6255207 5.6255207 0 14.9091425 0 0 15.431138 0 0 15.333749 0 12.38694 12.353147 12.375039 12.041317 12.0378895 11.865347 0 0 0 12.304921 12.300352 12.268249 12.434628 12.308054 12.272046 11.35975 15.745464 15.728638 187.0606 187.0606@3.381984 3.381984 16.151869 16.148655 16.102509 16.585388 16.609741 16.579035 16.508013 16.483091 16.492386 16.495388 16.488718 16.482162 16.385408 16.457798 16.457493 15.716685 15.717008 15.626108 16.453463 16.473167 16.48016 16.531672 16.523409 16.522842 16.2824 16.20749 16.27487 84.022 84.022@0.92099786 0.92099786 17.224115 17.187159 17.120481 17.438004 17.382616 17.416714 17.385542 17.350378 17.38443 17.235865 17.17317 17.220766 17.08594 17.112438 17.152462 16.658909 16.64057 16.632584 17.299225 17.287243 17.261028 17.314566 17.307877 17.303165 17.215229 17.208311 17.197447 194.115 194.115@3.662981:3 3.662981 20.092068 20.078344 20.039457 20.058546 20.092838 20.063547 19.55795 20.024933 20.054232 19.92304 20.08221 20.051294 20.09214 20.094427 20.03715 20.03197 20.053364 20.021782 19.956251 20.00244 19.95375 19.964659 20.072594 20.01321 20.058006 20.056864 20.019485 718.3964 C29 H54 N10 O11 5.7269635 14.914432 14.872483 14.901952 15.467287 15.42944 15.419599 15.370176 15.356486 15.378972 16.673391 16.660065 16.65007 16.326464 16.339537 16.343706 15.228029 15.128719 15.1855345 16.619274 16.62241 16.617266 16.62501 16.592093 16.576027 15.903859 15.869137 15.862589 181.0733 181.0733@1.416996 1.416996 C18846 16.794796 16.792765 16.775854 17.285854 17.28383 17.249224 17.223248 17.190992 17.213854 17.244633 17.218487 17.18713 16.966099 17.018494 16.94162 16.254179 16.241295 16.222437 16.669163 0 16.553389 17.148844 17.203424 17.17018 16.365656 16.344973 16.2934 678.4019 Mycinamicin IV 5.8009634 15.198829 15.184295 15.2209835 15.644223 15.685186 15.673364 15.613617 15.549484 15.615659 16.579065 16.595825 16.594004 16.5285 16.55357 16.524189 15.850968 15.812679 15.832816 16.533209 16.557749 16.581553 16.611645 16.598997 16.61222 16.467129 16.41917 16.405325 677.3227 677.3227@12.864966 12.864966 14.328606 13.85905 13.800294 12.702605 12.431498 12.472691 16.579464 15.705659 15.617008 13.893775 13.535519 13.719389 13.47978 13.218109 13.090278 12.137311 12.055282 11.891024 0 0 0 14.72707 14.308268 14.234219 11.645208 0 11.571279 150.0888 150.0888@3.1859848 3.1859848 15.978018 15.915739 15.812804 16.226883 16.368422 16.40949 16.354353 16.087276 16.133041 15.847644 15.875797 16.250465 16.323214 16.393791 16.42154 15.833261 16.125574 15.900749 15.704066 16.122969 16.232082 16.094305 16.216917 16.071754 16.477062 16.619045 16.6072 603.3452 PS(22:0/0:0) 5.364967 14.855403 14.869064 14.869353 15.371164 15.402978 15.365673 15.284427 15.302532 15.282474 16.568655 16.581099 16.519144 16.11884 16.130873 16.168201 14.8336315 14.910783 14.812327 16.494886 16.520712 16.48875 16.449535 16.45666 16.483849 15.693406 15.63308 15.642474 162.0527 162.0527@0.9239979 0.9239979 16.292572 16.281404 16.256079 16.45441 16.467175 16.515408 16.261562 16.237192 16.261654 16.057104 16.028273 16.029093 15.963483 15.951194 15.933922 15.267518 15.243435 15.245887 16.166634 16.171822 16.168026 16.09383 16.062616 16.076376 16.037312 16.006918 15.965875 131.0942 131.0942@1.7829942:2 1.7829942 17.710087 17.775778 17.792955 18.345999 18.319822 18.323828 18.585503 18.296808 18.316206 18.064064 18.061872 18.064306 18.018303 17.918001 17.906721 17.034079 16.997808 16.99548 18.267252 18.15555 18.18206 18.26883 18.267035 18.17191 18.063864 17.985292 18.017548 153.0762 153.0762@2.2149916 2.2149916 17.60114 16.99286 17.601742 17.270523 17.43277 18.09304 0 17.212753 17.980162 17.079142 17.026966 17.823404 17.726856 17.02822 17.759245 16.062342 16.72897 16.759941 17.812277 17.841135 17.86005 17.759491 17.873913 17.154274 17.672487 17.656977 17.643095 147.0541 147.0541@0.91999793 0.91999793 C10280 16.129404 16.137232 16.111443 16.403011 16.338684 16.387327 16.320942 16.31141 16.361446 16.426052 16.347916 16.378616 16.29516 16.283867 16.318878 15.902045 15.929651 15.967901 16.334116 16.327026 16.34731 16.310009 16.358341 16.368916 16.265633 16.270388 16.26697 559.3192 Auriculine 5.2219677 14.4452095 14.39714 14.390638 14.901856 14.913545 14.951239 14.876182 14.805896 14.855744 16.121553 16.1148 16.151295 15.735027 15.696776 15.702795 14.420421 14.411842 14.435475 16.068525 16.06857 16.076502 16.026976 16.036238 16.008625 15.110768 15.123798 15.12307 86.0189 86.0189@1.3309964 1.3309964 C00350 15.628446 15.688059 15.701605 16.142786 16.156301 16.125978 16.15369 16.087732 16.063816 16.221493 16.201223 16.196276 16.12119 16.109034 16.125252 15.552369 15.575806 15.496791 16.117096 16.115023 16.205698 16.321188 16.287947 16.279793 16.222889 16.084248 16.117867 779.4498 PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) 5.826962 14.698161 14.672756 14.606983 15.195104 15.236276 15.216935 15.090196 15.154462 15.133905 16.367243 16.409557 16.360796 16.125595 16.168104 16.142126 15.049763 15.051591 15.020371 16.324305 16.394999 16.38519 16.367569 16.367483 16.38726 15.713493 15.7145405 15.6950655 921.0025 921.0025@13.44397 13.44397 14.268761 13.984062 14.380258 14.524726 14.976564 13.862056 14.5540495 14.925229 15.04657 14.553928 14.902752 0 14.507423 16.392418 13.49473 0 14.751334 14.329375 14.636794 15.189747 13.504073 14.564388 14.404409 15.20991 15.711721 14.269419 14.231822 101.0477 101.0477@0.91999793 0.91999793 16.183208 16.19079 16.115368 16.306614 16.27607 16.293417 16.365091 16.327026 16.349695 16.324865 16.23478 16.278614 16.121431 16.174301 16.178646 15.950875 15.879201 15.89853 16.289856 16.286955 16.249651 16.357672 16.315203 16.306257 16.292969 16.250427 16.242207 390.2757 390.2757@14.080983 14.080983 15.058035 15.206633 14.942239 14.804988 15.113132 15.039305 15.89342 15.370211 15.410318 14.893728 15.119225 14.868629 14.882308 15.0215 15.045759 14.843185 15.083021 14.832742 14.787137 15.121129 14.863993 15.109546 15.091352 14.819779 15.011314 15.044053 14.859875 85.0894 85.0894@1.7829942 1.7829942 18.514189 18.369108 18.498156 19.136023 18.99961 19.127861 19.278477 19.11663 18.94328 18.753752 18.79467 18.786129 19.031134 18.584066 18.722347 17.837234 17.759043 17.767143 19.027487 18.894875 18.911371 19.035461 19.000698 19.006565 19.11575 18.709938 18.686342 88.0525 88.0525@3.6639812:1 3.6639812 16.921318 16.91394 16.869244 16.883596 16.798737 16.899723 13.754366 16.970903 16.80841 16.828222 16.790564 16.933472 16.908358 17.036518 16.871256 16.83865 16.749384 16.85951 16.68583 16.846775 16.87786 16.998646 16.914968 16.79946 16.72286 16.764133 17.003023 83.0373 83.0373@1.3309964 1.3309964 15.057992 15.110849 15.188279 15.429079 15.50736 15.406704 15.395099 15.442945 15.452659 15.934175 16.060463 15.8413925 16.1631 16.091415 16.145794 15.974079 15.960884 16.028122 15.899404 15.994862 15.929351 16.216179 16.0655 16.073452 16.15074 16.054775 16.036625 88.0525 88.0525@6.3969584 6.3969584 C06653 15.61013 15.665613 15.688825 15.613559 15.608255 15.67805 15.365468 15.383299 15.38539 15.72502 15.729779 15.778488 16.237024 16.239302 16.218262 16.15159 16.209435 16.192562 16.036774 16.054562 16.063944 16.029266 16.057844 16.073639 15.831208 15.924558 15.922607 739.4544 Erythromycin B 5.900962 14.859971 14.85443 14.825654 15.299315 15.291531 15.244474 15.205068 15.220038 15.194296 16.115105 16.110647 16.110199 16.125534 16.114922 16.111828 15.485294 15.515022 15.481515 16.040588 16.083042 16.076042 16.18741 16.150223 16.173111 16.085016 16.124222 16.113783 203.0552 203.0552@1.4149958 1.4149958 15.507732 15.488122 15.486521 16.17186 16.169004 16.080755 15.88879 15.899002 15.858783 15.953673 15.950739 15.881424 15.6942215 15.765753 15.7142725 14.781104 14.743309 14.703417 15.731425 0 15.327097 15.741915 15.807203 15.757572 14.81923 14.793095 14.753634 215.915 215.915@0.8549981 0.8549981 15.911742 15.8586855 15.895362 16.04791 16.039091 16.048954 16.058477 16.066467 16.096653 16.019852 16.01583 16.012974 15.975624 15.986931 15.995922 15.900348 15.6982155 15.924325 16.013866 16.007858 15.997202 16.0507 16.070204 16.064638 16.005075 16.016525 15.988374 515.293 515.293@5.0649695 5.0649695 14.205717 14.240494 14.172584 14.699518 14.749503 14.725472 14.61189 14.650715 14.6479645 15.732274 15.758535 15.758248 15.394328 15.410088 15.380563 14.186579 14.14935 14.179909 15.696751 15.701605 15.678986 15.663947 15.662585 15.682255 14.889647 14.891451 14.927824 203.0553 203.0553@1.5989947 1.5989947 15.007028 15.008909 15.076649 15.8846 15.8844795 15.953492 15.475227 15.423937 15.402279 15.232945 15.202545 15.27903 15.100129 15.1088505 15.175003 14.347484 14.299137 14.323547 15.209034 16.486881 15.68368 15.223324 15.162863 15.183248 14.540188 14.218791 14.429865 225.944 225.944@0.84699816 0.84699816 16.033875 16.02369 16.008385 16.064552 16.072699 16.053162 16.000374 15.962941 16.020264 15.986664 15.945695 15.98286 15.994331 16.019135 15.96434 15.989527 15.253441 15.941735 16.00891 15.990524 15.980675 15.9052925 15.97051 15.976138 15.889836 15.872627 15.867254 922.0044 922.0044@0.81999826 0.81999826 16.108892 15.044522 14.641092 16.317995 16.246925 15.810722 17.205536 16.4947 15.649817 17.060833 13.097373 15.749869 15.255139 16.220284 17.044758 15.671817 18.252218 16.928066 14.895386 17.41791 16.033638 17.006687 14.549724 15.139831 17.34472 16.48098 16.129484 693.4125 C24 H47 N21 O4 6.324958 13.676618 13.637644 13.614134 14.204342 14.133624 14.163649 14.072635 14.070876 14.049934 15.747746 15.754288 15.699897 15.961133 15.440999 15.506773 14.802769 14.805945 14.789534 15.504819 15.960545 15.485452 15.510579 15.406803 15.461991 15.1642 15.151929 15.15058 921.0025 921.0025@12.085952 12.085952 14.719282 14.218108 13.765492 0 15.183286 0 13.999472 0 13.41917 0 13.70682 0 0 0 12.401413 0 0 0 0 0 0 0 13.278595 0 13.485452 16.297094 0 390.0938 390.0938@0.9199979 0.9199979 15.103247 15.087877 15.090319 15.792078 15.80899 15.800065 13.897752 13.848134 13.8737335 14.220831 14.172272 14.138911 14.683159 14.566708 14.61448 11.37992 11.407799 0 14.462438 14.442166 14.521294 13.579198 13.557823 13.6322 13.042515 13.090775 13.009829 59.0379 59.0379@1.0064962 1.0064962 0 0 17.098104 0 16.809706 15.962308 16.692724 16.316193 0 0 0 0 0 0 0 0 0 0 0 16.031034 0 0 18.459055 0 0 0 0 823.4756 > limit 5.9229617 14.272702 14.377618 14.328886 14.808864 14.839499 14.8828335 14.796952 14.736084 14.769786 15.854673 15.847081 15.889242 15.58461 15.6354065 15.673199 14.715372 14.664114 14.74036 15.810772 15.838292 15.827442 15.897515 15.839352 15.855087 15.394463 15.370381 15.385492 164.047 164.047@1.597995 1.597995 15.983951 15.922445 15.938638 16.704578 16.731186 16.70915 16.576616 16.400112 16.341848 16.544058 16.587513 16.590397 16.394278 16.308695 16.33499 15.689779 15.700332 15.718693 16.780924 17.624226 17.104895 16.662252 16.60503 16.654049 15.824188 15.624653 15.705471 286.2139 286.2139@12.4559555 12.4559555 15.192639 15.117521 14.977817 15.766218 15.703147 15.697701 14.91331 14.8461275 14.855501 14.9951935 14.948732 14.967316 15.422918 15.402113 15.347067 15.292717 15.284752 15.257608 15.433683 15.380393 15.289947 15.213294 15.283523 15.139791 15.022801 15.020806 14.9123745 97.9684 97.9684@0.81199825 0.81199825 13.416533 13.949917 13.563791 13.29117 12.967947 13.152918 14.407799 14.2818575 14.244736 13.786066 13.863218 13.833779 13.421013 13.464163 13.766114 14.627875 14.346721 14.567422 13.322914 13.119589 13.265176 14.096469 14.056891 14.045504 15.656006 15.580288 15.66086 296.1465 296.1465@4.268976 4.268976 14.966505 14.951239 14.976878 15.318896 15.284101 15.32087 15.337866 15.305991 15.349834 15.665835 15.608803 15.628588 15.662112 15.683953 15.637672 15.142546 15.152641 15.108157 15.568698 15.583289 15.583436 15.705794 15.720938 15.698759 15.664891 15.642164 15.630494 142.025 142.025@1.6849946 1.6849946 15.671375 15.81308 15.248299 15.315114 15.926829 15.887101 0 15.467032 15.426461 0 0 14.243993 0 14.226563 15.216556 0 0 0 0 14.919795 15.116222 14.456034 0 0 14.911532 0 14.53491 958.9561 958.9561@0.8639981 0.8639981 15.026913 14.931292 14.852042 14.440675 14.385391 14.692724 14.811776 14.8782425 14.894581 14.5786085 14.714353 14.3461685 14.669826 14.533452 14.736773 15.421243 15.191445 15.130852 14.240195 14.735027 14.484383 14.6933775 14.462375 14.269784 14.7257395 15.06924 15.041959 226.0714 226.0714@3.9279788 3.9279788 14.989217 14.994308 14.968082 15.580583 15.5564165 15.539643 15.487935 15.493073 15.442588 15.412008 15.399679 15.4391165 15.297418 15.291279 15.29027 14.2028885 14.164121 14.078735 15.43515 15.464099 15.450986 15.553899 15.484067 15.499535 15.170589 15.175043 15.123112 56.0265 56.0265@0.91999793 0.91999793 15.41518 15.469992 15.345198 15.655195 15.618127 15.604524 15.700629 15.696152 15.660804 15.518745 15.521815 15.5223055 15.520404 15.540037 15.44818 15.060442 14.946495 14.912421 15.463971 15.486459 15.50575 15.539735 15.571575 15.566203 15.406935 15.484162 15.377447 783.4804 783.4804@5.992962 5.992962 14.384244 14.302925 14.355076 14.773036 14.762746 14.785299 14.611428 14.634868 14.728718 15.513882 15.491414 15.540612 15.566352 15.550567 15.53558 15.002068 15.006721 15.046015 15.434464 15.460456 15.471548 15.585344 15.533147 15.545839 15.632427 15.5801115 15.556895 83.0371 83.0371@0.6969986 0.6969986 15.770819 15.8076315 15.873445 15.972666 15.93293 16.141588 16.138931 16.188608 16.243267 16.267445 16.255028 16.234556 16.014805 16.125717 16.199366 16.03142 16.003166 16.000242 15.98355 16.036516 16.129042 16.170277 16.19393 16.259264 15.312033 16.366476 16.44768 252.1202 252.1202@3.9569788 3.9569788 14.860068 14.847008 14.815683 15.193102 15.214243 15.16734 15.192717 15.243843 15.198368 15.531991 15.542094 15.499192 15.596684 15.587367 15.594441 15.121008 15.130731 15.180375 15.407167 15.435443 15.500903 15.5653105 15.5827 15.551498 15.550055 15.608544 15.501122 146.1051 146.1051@0.8379982 0.8379982 15.411146 15.3480015 15.36854 15.6458 15.655894 15.580759 15.467191 15.482745 15.497478 15.494074 15.477443 15.459175 15.550176 15.497291 15.462342 14.854479 13.642616 14.826648 15.572848 15.564031 15.528058 15.428131 15.47415 15.425084 15.336751 15.311925 15.347622 454.24 454.24@4.889971 4.889971 13.898979 13.943064 13.970736 14.495729 14.505068 14.490663 14.37843 14.346029 14.3731365 15.36854 15.384986 15.404908 15.021717 15.041616 15.076733 13.852628 13.89586 13.852725 15.312316 15.29688 15.359544 15.299387 15.311605 15.306846 14.645996 14.633506 14.607561 151.0243 151.0243@0.91099787 0.91099787 16.140589 16.11971 16.14424 16.48388 16.574741 16.49409 15.905081 15.888291 15.892187 15.636597 15.613991 15.602292 15.606984 15.61212 15.597791 14.482052 14.49129 14.549543 15.962715 15.91317 15.912935 15.689398 15.755462 15.703769 15.614854 15.574859 15.612379 340.1722 340.1722@4.532974 4.532974 14.569856 14.606405 14.564268 14.980453 14.979649 14.930229 15.047848 15.041959 15.022931 15.348797 15.358926 15.34551 15.338632 15.369938 15.346028 14.763315 14.7650795 14.794415 15.304994 15.292789 15.297883 15.413429 15.35225 15.3604355 15.317236 15.331582 15.284932 131.0577 131.0577@0.91299796 0.91299796 15.440544 15.454814 15.431399 15.603308 15.51166 15.552699 15.53269 15.51274 15.528088 15.566411 15.502366 15.469992 15.458567 15.449761 15.450727 15.189901 15.201167 15.154462 15.469738 15.457605 15.379378 15.461384 15.47304 15.435474 15.408495 15.432117 15.380089 358.3073 358.3073@13.614971 13.614971 C10819 14.373001 13.881878 13.8867445 11.888363 11.945809 11.809366 15.179403 13.883121 13.900961 13.63481 13.493481 13.547256 12.670435 12.644532 12.465821 11.312883 0 0 0 16.479181 16.572004 14.142187 13.605363 13.497726 12.637304 12.626165 12.462247 867.5018 Solamargine 6.009961 13.828237 13.675185 13.750813 14.316212 14.316777 14.319743 14.223171 14.261655 14.136109 15.448859 15.441517 15.472944 15.306915 15.216216 15.235527 14.374903 14.298706 14.327693 15.328605 15.404976 15.380089 15.505688 15.421243 15.445144 14.986153 14.885601 14.944072 129.985 129.985@0.7889982 0.7889982 13.308055 13.30321 13.27932 12.212193 12.208234 12.198138 14.954197 14.875173 14.954288 14.094985 14.052144 14.010791 13.006677 12.992761 12.965062 15.462214 15.472818 15.474214 13.619187 13.582848 13.617926 14.733015 14.792892 14.78177 15.110849 15.111788 15.142266 117.1148 117.1148@2.9239872 2.9239872 15.463971 15.384312 15.304209 16.495388 15.947181 15.404777 16.162588 16.308695 15.216443 16.104189 16.298367 15.089616 16.194315 15.304602 15.971049 15.525308 15.280082 15.169925 16.097744 16.216898 15.577429 15.013104 15.804686 16.45786 15.079235 16.10877 16.084227 511.9771 C18 H10 N O15 S 6.4729567 12.589886 12.483059 0 12.991521 13.059513 13.073137 13.118941 13.092096 12.694794 15.0070715 14.948367 14.960093 14.814733 14.860214 14.848819 13.983795 13.944071 13.982459 14.716605 14.718373 14.761863 14.675184 14.697131 14.68836 14.378837 14.26283 14.306988 408.104 408.104@0.9249978 0.9249978 14.812529 14.753269 14.751753 15.196602 15.248187 15.168124 13.863895 13.923884 13.836642 14.158846 14.103206 14.15466 14.514899 14.422327 14.462694 11.880348 11.867279 11.817783 14.385189 14.353629 14.4064045 13.692288 13.633677 13.625595 13.292609 13.250891 13.2480755 132.0781 132.0781@3.662981:1 3.662981 15.942652 15.907548 15.944368 15.943522 16.050316 15.967249 15.711989 15.90661 16.086178 16.064806 15.895291 15.912281 15.880588 15.913357 16.011513 16.000595 16.003824 15.878697 15.951604 15.9349575 15.875462 15.944392 15.838269 15.854138 16.049126 15.801581 15.904516 155.0693 155.0693@0.894998 0.894998 15.4098215 15.361087 15.298993 15.2715 15.374767 15.326042 14.868822 14.856814 14.919655 15.025442 15.059092 15.039262 15.179521 15.154344 15.150064 14.8161335 14.638945 14.707252 15.014892 15.03183 14.926713 14.7911625 14.78182 14.752589 14.870509 14.839647 14.781922 88.0523 88.0523@4.0239797 4.0239797 14.63753 14.817633 14.60409 14.851017 14.891404 14.857494 14.653348 14.703471 14.6826105 14.736138 14.77453 14.676011 14.839105 14.97728 14.882547 14.770199 14.756191 14.818033 14.780284 14.73434 14.712902 14.959549 14.902045 14.7690115 14.810421 14.7592125 14.917745 142.0251 142.0251@1.1859971 1.1859971 16.174458 16.032066 13.442813 14.917791 15.683818 14.434823 16.010944 16.090815 16.00569 14.978933 15.322844 14.891688 15.728212 15.28699 15.667027 15.131898 15.0296755 15.567421 13.953559 14.154264 12.633223 14.984196 14.540067 15.186732 14.9123745 14.505006 0 126.0314 126.0314@0.9239979 0.9239979 15.060738 15.052398 15.00264 15.322914 15.279429 15.291782 15.165888 15.169103 15.205183 14.961178 14.915739 14.917559 14.858563 14.869161 14.874212 14.235491 14.158531 14.180064 15.07669 14.983306 15.108074 15.10021 15.071211 15.024576 14.905763 14.860651 14.892638 497.3015 C14 H37 N14 O6 6.428958 12.606636 12.6456585 12.623653 13.189824 13.174458 13.124445 13.183945 13.186424 13.0235815 15.055494 15.218451 15.222908 14.99037 14.97087 14.954151 14.100662 14.127671 14.088954 14.910596 14.944712 14.885173 14.935763 14.9353485 14.911111 14.260993 14.249039 14.288577 375.2512 375.2512@9.803944 9.803944 14.054604 14.0199375 14.022628 14.5398855 14.53406 14.542911 14.174613 14.107299 14.121452 14.98375 15.043326 15.030839 14.937696 14.98522 14.963619 14.305492 14.345544 14.352871 15.014979 15.052228 14.994662 14.971185 15.000924 14.916113 14.45783 14.398677 14.40421 467.9506 C16 H6 N O14 S 6.318994 0 0 0 13.271901 13.212193 0 0 13.1090145 13.2828 15.117278 15.18855 15.1586485 14.924674 14.980407 15.001628 13.870847 13.874885 13.966956 14.91891 15.010397 15.038576 14.902941 14.87666 15.009785 14.22498 14.14123 14.1586895 106.0624 106.0624@1.5599952 1.5599952 15.658881 0 0 15.654916 16.452724 16.415972 16.175257 16.34145 15.7243 14.821874 15.159675 0 15.066846 15.488939 15.36434 0 15.094119 14.624967 16.373358 16.29347 16.463173 15.350904 15.311287 15.333785 15.251889 15.278014 15.351181 135.0555 135.0555@1.4429959 1.4429959 0 16.686062 16.503376 16.878279 16.976889 17.061054 0 16.882858 16.894415 16.360847 16.201683 16.378803 16.272648 16.118858 16.334833 15.545598 15.5748 15.380122 0 0 0 16.456387 16.735304 17.023224 16.83753 16.852152 17.010113 88.0525 88.0525@3.1869848:1 3.1869848 14.626222 14.670988 14.643912 14.998282 14.791417 14.951968 14.754156 14.861669 14.812779 14.750393 14.579375 14.764975 15.015545 14.973562 14.805794 14.790755 14.512431 14.768029 14.667832 14.715909 14.893871 14.902375 14.85662 14.757286 15.226638 15.179326 15.194257 408.1785 408.1785@3.9279788 3.9279788 13.947638 14.005448 13.964431 14.799584 14.716927 14.750026 14.703309 14.720618 14.797053 14.625594 14.64549 14.630778 14.4618 14.443333 14.412306 13.019765 13.105581 13.019765 14.733756 14.78182 14.759784 14.922073 14.901338 14.935027 14.473515 14.481799 14.493043 134.0934 134.0934@3.9119794 3.9119794 14.197601 14.135228 14.315644 14.107544 13.87431 14.162392 14.25333 13.885315 13.78678 13.63481 13.953651 13.880062 14.008429 13.64847 13.552429 14.392518 14.595608 14.513111 13.414157 13.7657 12.743782 13.96434 13.75968 14.315786 15.239411 15.193833 15.22136 56.0631 56.0631@6.3969545 6.3969545 14.652173 14.556745 14.625709 14.639284 14.612177 14.667777 0 0 14.347276 14.748455 14.780489 14.75994 15.147364 15.148834 15.115653 0 15.148912 15.097333 15.001232 15.0183735 15.039862 15.036732 15.032863 0 14.831901 14.82759 14.9158325 118.0405 118.0405@1.597995 1.597995 14.18379 14.336227 14.261066 14.87378 14.940635 14.853309 0 14.680744 14.666668 14.889552 14.752484 14.839548 14.71789 14.570745 14.645828 13.9151325 13.9893055 14.028165 15.052737 16.017046 16.051167 14.985931 14.8590975 14.954104 0 14.042857 13.911766 100.0886 100.0886@6.3969584 6.3969584 14.647628 14.61999 14.629129 14.497228 14.649425 14.635831 14.323336 14.3471365 14.350526 14.665891 14.691634 14.678599 15.182627 15.184177 15.168947 15.126059 15.130731 15.077985 15.002068 15.023884 15.041359 14.947956 14.900867 15.001364 14.77453 14.846078 14.800445 129.0424 129.0424@1.5639951 1.5639951 14.415874 14.266567 14.23302 14.717408 14.630893 14.738672 14.214319 14.576011 14.543153 15.017722 14.980854 15.002771 15.087877 15.171372 15.208844 14.845833 14.900159 14.808209 15.0560875 14.992229 15.104517 15.074642 15.138991 15.156517 14.925368 14.994796 15.034154 119.0577 119.0577@0.918998 0.918998 14.909518 14.855209 14.84833 15.116872 15.105335 15.101687 15.178899 15.135147 15.1501045 15.017635 15.056681 15.015241 14.913451 14.939487 14.933138 14.374225 14.363792 14.42692 15.013366 15.014544 15.0351 15.021197 15.037976 15.01833 14.874309 14.923931 14.854089 384.1986 384.1986@4.7569723 4.7569723 13.995061 14.018461 14.066509 14.353629 14.353284 14.345474 14.404676 14.383502 14.430649 14.696206 14.77895 14.75102 14.8025675 14.824711 14.771902 14.299352 14.315079 14.3253765 14.694195 14.711506 14.745463 14.870172 14.8386135 14.9123745 14.817633 14.846078 14.735027 159.0268 159.0268@1.0119973 1.0119973 C12216 14.463078 14.505315 14.447083 15.034241 14.937467 14.978486 14.688796 14.744413 14.697455 14.554948 14.627192 14.567243 14.605133 14.566828 14.62742 13.218411 13.194603 13.226111 14.684311 14.650715 14.632371 14.571279 14.565222 14.5237465 14.237732 14.251704 14.203578 827.5065 Mycobactin S 6.0819607 13.57116 13.603858 13.599564 14.047039 14.072719 14.134346 14.050784 14.008516 14.029805 14.925925 14.90858 14.876372 14.947135 14.99037 14.911579 14.490538 14.495043 14.410253 14.826052 14.782282 14.91083 14.937327 14.972262 14.932631 15.012449 15.060189 15.0017605 448.3287 448.3287@14.080983 14.080983 14.499223 14.472691 14.470595 14.296916 14.338458 14.346791 15.11675 14.734392 14.688414 14.425018 14.493606 14.384109 14.3952 14.3766 14.433194 14.404676 14.365501 14.348728 14.403345 14.367142 14.41257 14.373749 14.508599 14.423969 14.352112 14.364546 14.385796 115.9696 115.9696@0.78799844 0.78799844 C14689 12.954014 12.93719 12.926851 11.603627 11.648357 11.557942 14.522581 14.444756 14.507918 13.592924 13.510517 13.514467 12.469642 12.557464 12.48432 15.051846 15.036001 15.060612 13.073472 13.145773 13.110158 14.23594 14.286918 14.297418 14.682502 14.663725 14.65553 106.0624 Diethylene glycol 1.6169953 14.905576 14.894059 14.732115 15.994486 15.977257 15.995966 14.689616 14.854479 14.833088 0 0 0 0 11.868823 0 0 0 0 15.799358 15.702957 15.802945 11.504819 0 11.386402 11.791163 11.888363 0 218.1871 C10 H24 N3 O2 10.250942 12.898602 12.894249 12.825953 13.814282 13.736825 13.742835 13.62411 13.708437 13.674965 12.574357 12.381543 12.485829 12.344019 12.500344 12.388556 13.605943 13.621937 13.547015 14.9714985 14.908157 14.825157 13.228969 13.349281 13.368779 14.9091425 14.878866 14.855209 366.2033 366.2033@12.000953 12.000953 14.759576 14.670104 14.70547 14.7650795 14.800091 14.733227 14.732115 14.734762 14.786575 14.707036 14.747826 14.76233 14.728664 14.740519 14.783868 14.742098 14.742467 14.729515 14.745674 14.811626 14.760408 14.808713 14.789585 14.801658 14.844019 14.806399 14.812327 153.0761 153.0761@2.2109916 2.2109916 17.601131 16.99286 17.601742 16.889421 17.43277 18.09304 18.010916 17.212753 17.980173 17.077755 17.026966 17.823404 17.726856 16.273432 17.759245 16.062342 16.72897 16.759941 17.812271 17.841135 17.86005 17.75793 17.873907 16.540127 17.672487 17.656977 17.643082 275.1879 275.1879@8.752945 8.752945 14.793298 14.733705 14.659271 14.797206 14.761863 14.732963 14.647178 14.700873 14.756556 14.6941395 14.734921 14.696424 14.739095 14.742205 14.749922 14.786269 14.732857 14.751648 14.738884 14.673971 14.72707 14.754992 14.744677 14.772315 14.7086525 14.669051 14.709407 72.0215 72.0215@0.91999793 0.91999793 14.76316 14.731372 14.714728 14.968171 14.904917 14.94279 14.918863 14.941093 14.917977 14.916346 14.781206 14.831307 14.676233 14.760511 14.753948 14.157109 14.191213 14.210976 14.889789 14.929859 14.914806 14.910689 14.892875 14.9098 14.868052 14.877379 14.85009 87.0684 87.0684@0.98599756 0.98599756 0 0 13.287712 13.814683 13.895197 14.201741 13.622853 13.34499 13.468496 13.064574 13.153235 13.596306 12.990991 13.103452 13.094078 12.873444 13.259597 13.400613 12.871905 13.162863 14.789024 14.105417 14.062805 14.835014 13.934152 14.5687275 14.079068 135.0589 135.0589@1.449996 1.449996 0 0 0 15.593186 15.509682 16.351578 0 0 0 16.344763 16.439327 0 16.21843 16.271008 0 15.62331 0 0 14.06019 0 0 0 16.520235 0 0 0 0 206.1511 C10 H22 O4 6.1829634 14.631461 14.618213 14.719816 15.590616 15.581613 15.592399 15.8291025 15.851041 15.847914 14.527538 14.511877 14.54605 14.156083 14.149668 14.177108 13.75812 13.685953 13.687594 13.077484 0 13.112602 13.405141 13.390572 13.427837 13.313874 13.291459 13.339572 72.0579 72.0579@6.181999:1 6.181999 0 0 0 15.193063 15.259118 15.216595 0 0 15.534425 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 117.1147 117.1147@1.5089952 1.5089952 14.297919 14.271536 15.811424 14.735186 15.115491 14.14099 14.45847 14.665391 14.757338 15.226864 15.5674515 14.827095 15.001496 14.743415 14.732909 14.592282 14.722807 14.724727 14.009653 13.643631 13.318967 14.558599 14.663113 14.989572 14.715533 14.337414 14.789228 164.0471 164.0471@1.4149958 1.4149958 16.563763 16.559496 16.503267 16.858126 16.846445 16.864126 16.959232 16.944141 16.88139 16.968296 16.93271 16.948698 16.697538 16.702768 16.665445 16.193525 16.165436 16.177284 16.379328 0 15.98722 16.959572 17.00456 17.023993 16.303139 16.3146 16.27972 443.3711 443.3711@13.185963 13.185963 13.011228 12.487086 12.473706 11.994353 11.754888 11.953833 14.480916 13.422459 13.357278 11.862637 11.51027 11.409922 12.570805 12.444497 12.197217 0 0 0 0 0 0 13.598168 13.199518 13.063227 12.75864 12.616319 12.539159 495.2959 PE(9:0/9:0)[U] 5.767963 14.406337 14.418248 14.415411 14.985308 14.639454 14.1023035 14.839303 14.64397 14.801809 16.193102 16.483799 16.263966 16.054266 16.05683 16.223606 15.166515 14.833284 15.184488 16.033337 16.025076 16.080568 16.070353 16.019787 16.325377 15.2486315 15.3604 15.603192 68.027 68.027@0.9199978 0.9199978 14.560273 14.576779 14.504074 14.728133 14.770405 14.76927 14.732751 14.7502365 14.690926 14.7368765 14.687867 14.6831045 14.609006 14.580848 14.665058 14.160266 0 0 14.7356615 14.732221 14.7263775 14.788209 14.681567 14.709784 14.619303 14.566054 14.673033 88.0525 88.0525@3.1869848:2 3.1869848 14.598809 14.707575 14.657486 14.9964285 15.034627 14.950874 14.819282 14.787444 14.823864 14.770405 14.629071 14.666889 15.021674 14.959413 14.805794 14.790755 14.78182 14.738356 14.656202 14.727868 14.908533 14.874165 14.896474 14.730735 15.158729 15.211736 15.216443 407.3004 407.3004@13.184962 13.184962 13.0532465 12.550746 12.601539 12.158295 12.010878 11.911392 14.480979 13.573883 13.500343 11.80816 11.3966055 11.656871 12.730895 12.499846 12.329797 0 0 0 0 0 0 13.599331 13.284534 13.053926 12.809567 12.708438 12.615629 279.1306 279.1306@1.3279963 1.3279963 13.887126 13.881495 13.903223 11.823367 11.88722 11.886458 0 0 0 12.882453 12.825555 12.839598 12.51496 12.596422 12.401413 14.630381 14.677499 14.621765 0 0 0 11.718105 11.756973 11.732168 11.501837 11.382625 11.485829 283.3231 283.3231@12.306954 12.306954 14.612696 14.516746 14.62228 14.601654 14.623938 14.547557 14.566471 14.568193 14.543575 14.614249 14.600783 14.529186 14.536915 14.559137 14.534728 14.521969 14.507794 14.494168 14.471676 14.478011 14.575362 14.591814 14.472246 14.612235 14.607214 14.590821 14.59444 308.1208 308.1208@0.94299835 0.94299835 14.51576 14.496916 14.454042 12.61999 12.65955 12.60409 11.618385 11.757807 11.77025 13.020285 13.133624 13.066762 12.561766 12.469896 12.566768 0 0 0 11.534789 0 11.541581 12.20793 0 12.115369 11.940681 11.957102 11.949098 410.2139 410.2139@4.689973 4.689973 13.517055 13.581671 13.5447235 13.700223 13.783408 14.038233 13.958734 13.96434 13.613904 14.749398 14.7502365 14.688469 14.528698 14.474594 14.440221 13.495231 13.505191 13.210215 14.709299 14.679095 14.7010355 14.720084 14.718051 14.7603035 14.266859 14.194449 14.226863 115.0633 115.0633@0.894998 0.894998 14.355419 14.416072 14.315716 14.555727 14.600378 14.578844 14.552368 14.578549 14.570331 14.404475 14.381408 14.47472 14.443979 14.446954 14.434432 14.120156 14.177186 14.188434 14.370073 14.332597 14.345197 14.493731 14.446825 14.4485035 14.395667 14.532356 14.422131 88.0524 88.0524@3.6639812:1 3.6639812 16.921469 16.915915 16.869244 16.885899 16.87618 16.899723 13.754366 16.862843 16.80841 16.828222 16.789457 16.842081 16.906103 17.007793 16.871256 16.83865 16.749384 16.85951 16.68583 16.846775 16.87786 16.998646 16.932884 16.79842 16.833248 16.764133 16.90508 526.6521 526.6521@6.516955 6.516955 12.061372 0 0 13.352044 12.817583 0 12.7509165 12.608485 12.509528 14.616778 14.5586605 14.552249 14.469261 14.4496 14.387008 13.750813 13.685953 13.804131 14.278812 14.373817 14.292537 14.384987 14.368234 14.522458 14.077316 13.845881 14.118293 278.1515 278.1515@11.983953 11.983953 14.009653 14.206785 14.2697115 15.543425 14.376328 15.523991 14.411644 14.298778 14.319531 13.803526 14.172896 14.824313 14.933322 14.005448 15.005624 14.894581 14.859632 13.861959 14.457701 14.424364 14.24585 14.132821 14.148556 13.984418 15.0561285 14.274741 14.163807 55.0427 55.0427@1.3299965 1.3299965 14.088292 14.027906 14.228442 14.388488 14.696315 14.483689 14.662835 14.704876 14.706927 14.814281 14.899498 14.828087 14.679646 14.748979 14.689452 14.283449 14.276415 14.208843 14.675957 14.470405 14.826797 14.908814 14.898507 14.938706 14.629015 14.541157 14.581965 208.0941 208.0941@3.5729814 3.5729814 13.86998 14.004923 13.816383 14.18472 14.273795 14.25584 14.352734 14.189825 14.247558 14.506493 14.558301 14.563971 14.617811 14.671873 14.590762 14.274305 14.266641 14.176874 14.451533 14.477062 14.4823675 14.497914 14.5547695 14.572345 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13.334972 13.304351 13.160343 12.686281 12.650153 12.630267 12.361121 12.308908 12.288577 13.810772 13.656313 13.582495 13.224455 13.144499 13.066594 533.182 533.182@3.3829837 3.3829837 13.863025 13.924348 13.79218 14.391512 14.397273 14.403278 14.349143 14.366595 14.390774 14.253921 14.24763 14.269784 14.10337 14.09127 14.070205 13.183791 13.261508 13.224002 14.404077 14.390035 14.409922 14.469579 14.481233 14.478265 14.217579 14.209225 14.227164 88.0524 88.0524@3.6639812:2 3.6639812 16.920225 16.915915 16.869244 16.883596 16.798737 16.899723 13.754366 16.970903 16.80841 16.828222 16.790564 16.933472 16.906162 17.036518 16.871256 16.83865 16.749384 16.85951 16.68583 16.846775 16.87786 16.998646 16.914968 16.79946 16.72286 16.764133 17.003023 210.1612 210.1612@8.767945:1 8.767945 13.19691 13.152286 13.2669325 14.158846 14.19368 14.239748 13.964251 14.024793 14.0394335 12.820976 12.83526 12.753217 13.833186 13.849796 13.914946 13.247334 13.85662 13.810069 13.059683 13.205641 13.198291 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14.1661625 14.222418 14.186966 14.3096895 14.237957 14.222795 13.498475 12.601771 13.606637 14.3257265 14.277941 14.328114 14.13659 14.163729 14.128156 14.023754 14.022194 14.044822 228.1353 (-)-11-hydroxy-9,10-dihydrojasmonic acid 8.991943 11.427836 0 11.326991 14.327833 14.354181 14.310826 13.394463 13.357964 13.383434 0 0 0 0 0 0 0 0 0 13.448761 13.385458 13.464801 0 0 0 0 0 0 83.0735 83.0735@0.8369983 0.8369983 14.093336 14.130893 14.10877 14.400146 14.391915 14.377752 14.316847 14.266493 14.257609 14.35156 14.331966 14.331127 14.35604 14.318966 14.34138 13.682884 12.506555 13.682775 14.286631 14.377481 14.385929 14.208234 14.167026 14.2218895 14.112277 14.105663 14.0897 69.0584 69.0584@0.89199805 0.89199805 14.030753 14.101564 14.343185 14.329095 14.393122 14.302068 14.206404 14.152364 14.15553 14.211888 14.149271 14.214471 14.193064 14.197141 14.161761 13.866217 13.965334 13.849991 14.052058 14.182705 14.112928 14.292178 14.050189 14.1791315 14.173599 14.109423 14.331476 443.3712 443.3712@13.273964 13.273964 13.06945 12.600378 12.57554 11.582141 11.729197 11.60548 14.355833 13.386537 13.303067 11.587309 11.484822 11.5919895 12.718533 12.524052 12.077817 0 0 0 0 0 0 13.584375 13.267518 13.127511 12.850968 12.694357 12.647234 134.0936 134.0936@3.7729802 3.7729802 13.018547 13.068947 13.2209835 12.839204 12.763628 13.072467 12.749451 12.530162 12.707359 12.399011 12.648358 12.424428 12.746724 12.652396 12.79279 13.562362 13.505191 13.228067 12.794821 12.35011 12.9587345 13.088954 12.643631 12.961087 13.746095 13.873348 13.69512 132.0239 132.0239@1.4969957 1.4969957 13.814482 13.861088 13.898318 13.941415 14.499349 14.471676 14.169534 14.272484 14.281785 14.205259 14.220379 14.41151 14.118455 14.213104 14.25525 13.509032 0 13.566768 14.37843 14.580553 14.593566 14.490601 14.533025 14.570864 14.15078 14.050103 14.227316 266.1644 266.1644@11.415948 11.415948 13.589767 13.647459 13.475354 14.17851 14.231596 14.12501 13.968937 13.816983 13.858079 13.138752 13.10689 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13.355626 13.319107 13.369461 13.33999 13.253108 431.23 431.23@1.9389932 1.9389932 C16435 13.145136 12.951102 13.070623 13.7029295 13.717891 14.560035 14.929305 13.472437 13.499597 13.280481 0 13.415874 13.270149 0 13.292321 0 0 11.451211 13.649032 13.390437 14.36564 13.554709 13.44048 0 13.373545 13.168985 13.2321205 115.0628 D-Proline 4.429972 0 0 0 14.317624 14.24726 14.36639 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 234.1252 234.1252@10.085943 10.085943 14.175472 13.851358 13.855842 14.165142 13.892258 14.061962 13.954832 14.15466 14.146647 14.283234 14.235043 14.24109 14.244289 14.3025675 14.262022 14.2285185 14.370959 14.393792 14.309477 14.296271 14.236836 14.275834 14.388018 14.434889 14.21356 14.276561 14.291458 177.0508 177.0508@0.861998 0.861998 14.503639 14.45988 14.470278 14.474847 14.440545 14.447793 14.578256 14.530285 14.502086 14.179753 14.222342 14.13033 14.094738 14.071043 14.136189 14.497416 14.378973 14.46199 13.580611 13.589651 13.575775 14.157978 14.175081 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14.104025 13.970375 13.849991 14.05418 13.90247 14.083063 14.06078 14.062299 14.100744 14.034369 14.086468 13.846861 14.1147995 14.027128 13.773964 13.98602 14.000264 13.745675 14.072552 13.809466 14.033078 14.025053 14.064238 13.960545 13.9837055 14.002991 13.827343 228.0414 228.0414@0.92499775 0.92499775 13.868727 13.878817 13.75123 14.065164 14.2023535 14.064238 13.509651 13.562838 13.395935 13.6976185 13.603858 13.693487 13.886554 13.882452 13.809165 0 11.878434 11.885696 13.803526 13.811976 13.841958 13.43515 13.422328 13.400746 13.022888 13.0287695 13.048317 73.0892 73.0892@1.1949966 1.1949966 0 12.606636 13.190288 13.759367 14.025745 14.253848 13.29045 13.481673 13.692943 12.844509 12.91083 13.077985 12.899168 12.815984 13.321927 12.617697 12.844901 0 13.349558 13.335809 14.463141 13.252073 13.242131 13.579787 13.652284 13.651724 13.815383 395.3862 395.3862@14.341989 14.341989 12.724513 12.4260025 12.384513 12.655977 12.594324 12.488845 13.887981 13.018895 12.999999 11.534303 0 11.400346 12.749451 12.644532 12.547377 0 0 0 0 0 0 13.380461 13.2376585 13.119589 13.022021 12.913638 12.73471 227.188 227.188@8.769947 8.769947 13.94233 13.927871 13.894913 14.843969 14.84647 14.846029 14.693051 14.720939 14.704012 13.614134 13.635152 13.609986 14.5398245 14.549483 14.614423 14.463971 14.493105 14.51576 13.913075 13.959821 13.979425 14.546534 14.561526 14.519328 16.212801 16.201971 15.60915 326.0436 326.0436@0.8549981 0.8549981 13.86438 13.805039 13.859244 14.056723 14.138672 14.019764 13.953924 13.971543 13.986732 13.375311 13.373409 13.324742 13.345266 13.351353 13.347483 13.212497 12.423379 13.139392 12.927963 12.993646 12.965243 13.234668 13.351353 13.337204 13.694684 13.645884 13.655307 83.0372 83.0372@1.5589947 1.5589947 13.059344 13.008079 0 13.284969 13.12509 13.4776325 12.897846 0 0 13.709407 14.187816 13.714354 13.869112 14.199672 13.86438 13.403678 13.509651 13.430191 13.773242 13.88226 13.972082 14.428361 13.957647 13.875558 13.671431 13.778796 14.056723 132.0973 132.0973@2.2149916 2.2149916 15.542972 15.77056 15.799408 16.21244 16.30187 16.274342 0 16.181734 16.225414 14.2522955 16.007969 15.93997 15.165535 15.889005 15.934404 15.093211 15.119427 15.110197 16.100662 16.055367 16.106236 16.182297 16.155096 14.662613 15.97938 14.735714 15.976005 526.65216.5137715 C09910 12.061372 0 0 12.591522 12.817583 0 12.7509165 12.608485 12.509528 14.616778 14.5586605 14.583024 13.828732 14.4496 14.387008 13.757807 13.628218 13.778591 14.305492 14.370893 14.292537 14.438792 14.368234 14.522458 14.077316 13.864186 14.118293 147.1048 Actinidine 0.9369979 12.8386135 12.7893305 12.715319 12.8235655 12.847057 12.547136 13.415478 13.352733 13.477506 12.796648 13.093583 12.807958 12.696967 12.631178 12.489346 12.288577 12.43202 12.379649 13.540612 13.534546 13.600262 13.767254 13.689889 13.7356615 13.984596 14.147443 14.022107 86.0924 86.0924@2.2139904 2.2139904 0 15.927222 15.936937 16.379818 16.41678 16.396923 16.363485 16.394596 0 16.23276 16.219378 16.205927 15.882475 16.137112 16.109566 0 15.3878145 14.634697 16.260424 16.274597 16.270185 16.381222 16.354042 16.35099 16.161348 16.17664 16.197218 191.0174 191.0174@0.904998 0.904998 13.619532 13.606637 13.51311 14.14099 14.181851 14.212725 13.99161 13.971543 14.071295 14.176952 14.130249 14.145773 14.130249 14.057569 14.035057 13.275105 13.236912 13.331757 14.108442 14.145693 14.147921 14.167182 14.190519 14.157268 13.880731 13.889124 13.91905 262.188 C10 H24 N5 O3 2.2129917 C06816 15.26814 15.190712 15.214168 15.762382 15.782333 14.375243 15.67838 15.650378 14.255546 14.289515 13.919608 14.241983 15.315432 13.842055 13.60177 14.258198 14.216973 14.178665 15.4537525 15.495886 14.114393 15.548701 15.55318 15.524603 15.253552 15.231858 15.255323 158.0195 allopurinol 1.3339959 13.761448 13.718211 13.72462 14.063143 14.102057 14.005186 13.930183 13.921283 13.908674 12.699789 12.69675 12.67904 12.724727 12.717034 12.725579 0 0 11.95565 12.241685 12.24674 12.173988 12.413363 12.392049 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0 0 0 111.0296 111.0296@0.89699787 0.89699787 12.108198 12.375312 12.203653 12.655308 12.523807 12.363587 12.636172 12.722807 12.732591 12.626849 12.773345 12.66111 12.608254 12.445533 12.526255 12.084808 11.996473 11.83881 12.693922 12.718533 12.684749 12.787902 12.873636 12.788921 12.793197 12.727495 12.664892 310.177 310.177@9.681941 9.681941 12.6717615 12.675075 12.7334385 12.729621 12.546894 12.6941395 12.653294 12.745044 12.692833 12.638209 12.608717 12.542549 12.718319 12.422065 12.664448 12.552909 12.6821165 12.494856 12.599913 12.632542 12.688031 12.701523 12.662891 12.634811 12.580494 12.59875 12.573174 368.1027 368.1027@3.3859825 3.3859825 11.394463 11.647907 11.29978 12.007028 12.056299 11.956375 12.131214 11.994707 12.008429 11.733863 11.6617775 11.738515 11.587777 11.345406 11.61563 0 0 0 12.001057 12.011227 12.123798 12.250002 12.07715 11.946907 11.807757 11.845881 11.826548 204.0784 204.0784@11.984949 11.984949 12.916066 12.884552 13.005975 12.73365 13.323899 13.31939 13.118616 13.072803 13.045247 12.694357 12.085473 12.775405 12.453271 12.638435 12.762175 12.608024 12.597588 12.086468 13.137151 12.731318 13.206252 12.335948 12.723021 12.616549 12.908956 12.815384 12.378837 431.2299 431.2299@2.2159915 2.2159915 14.590704 14.595082 14.527355 14.07054 15.037418 15.016026 0 14.984907 14.987663 14.855988 14.787035 14.7968 14.716927 14.683543 14.712581 13.731743 13.776434 13.031874 14.844901 14.790247 14.839647 14.923235 14.887793 14.868148 14.713065 14.745989 14.72776 452.16 452.16@10.561938 10.561938 11.655978 11.591522 11.468115 11.856426 11.834472 11.733439 12.198751 12.108523 12.143383 11.616549 11.569382 11.73767 12.623881 12.621593 12.563435 11.317978 11.42993 11.607793 11.962173 12.150382 12.1649065 11.407268 11.44605 11.507299 0 0 0 150.0889 150.0889@3.3249843 3.3249843 14.919422 14.24815 14.718906 15.022282 14.5428505 14.326711 14.722219 14.2096815 14.380394 14.198522 14.155213 14.916765 14.5598545 15.088996 15.059556 14.115693 14.738726 14.196294 12.284535 14.553689 14.724462 14.0785675 14.693433 14.462822 14.732115 14.74394 14.7564 431.2299 431.2299@2.0699923 2.0699923 13.145136 12.951102 13.070623 13.675626 15.037418 14.560035 14.929305 14.984907 13.499597 14.855988 14.787035 14.7968 14.716927 14.689234 13.292321 0 13.776434 12.549543 13.649032 13.390437 0 13.554709 13.44048 14.868148 14.713065 13.168985 13.223701 457.3763 457.3763@14.338987 14.338987 11.625253 0 0 11.292321 11.451211 11.442426 12.567243 11.767357 11.693487 0 0 0 11.534789 11.487338 0 0 0 0 0 0 0 12.079485 11.985486 11.725792 11.710376 11.675076 11.482807 683.5544 683.5544@14.6939945 14.6939945 12.867858 12.892733 12.730895 12.651052 12.803929 12.664225 12.754887 12.740413 12.821575 12.751125 12.771489 12.723234 12.778282 12.650379 12.697837 12.854479 12.671099 12.839007 12.732591 12.783203 12.684749 12.788311 12.706281 12.83743 12.642728 12.737037 12.763212 132.0785 132.0785@3.662981 3.662981 15.941025 15.907548 15.947248 15.9424 16.037504 15.967249 15.711989 15.894178 15.907736 16.073221 15.890454 15.912281 15.880588 15.913357 16.049763 15.998039 15.921423 15.881019 15.94462 15.990259 15.874237 15.942789 15.838269 15.854138 16.049126 15.778206 15.916042 411.2452 411.2452@6.507956 6.507956 11.960002 12.068107 12.024793 12.439051 12.516192 12.516932 12.446307 12.470151 12.442685 11.671984 11.681238 11.463013 11.952013 11.903129 11.9019985 11.611025 11.578373 11.564149 11.697401 11.638436 11.503826 11.950556 11.941782 11.817384 12.357552 12.361943 12.40939 495.3313 495.3313@11.602949 11.602949 12.401945 12.464035 12.496354 12.356177 12.392317 12.547377 12.429929 12.465567 12.382353 12.367142 12.316565 12.356453 12.3208 12.276707 12.273504 12.381814 12.339015 12.364681 12.319672 12.209453 12.182705 12.112765 12.158295 12.193526 12.281931 12.173053 12.239598 434.1003 434.1003@0.92899776 0.92899776 12.569143 12.522827 12.475226 12.573884 12.623881 12.567481 12.06407 11.981567 12.084144 12.234518 12.208539 12.210976 12.376124 12.384785 12.459687 0 0 0 12.303495 12.394463 12.497602 11.879201 11.794822 11.854869 11.515699 11.312316 11.322492 519.4099 519.4099@13.555981 13.555981 11.772314 11.346514 11.504819 0 11.367414 0 12.948003 12.42259 12.325868 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 731.4387 731.4387@12.514959 12.514959 12.93719 12.960363 12.795431 12.959458 12.892733 12.921284 12.955649 12.925925 13.099513 12.7625885 12.924255 12.834866 12.897468 13.000704 12.871713 12.857009 12.805744 12.960726 12.959278 12.83605 12.863218 12.948732 12.964882 12.844314 12.881879 12.876325 12.943248 524.298 524.298@5.831963 5.831963 0 0 0 0 12.326711 12.833878 12.537219 12.629584 12.611024 14.453206 14.464737 14.433325 14.061286 14.192909 14.180143 13.176485 13.145773 13.00387 14.100662 14.166947 14.13258 14.262022 13.992407 14.245775 13.6289015 13.64611 13.65094 367.2204 367.2204@6.3619576 6.3619576 11.974773 12.065416 12.031701 12.546412 12.555548 12.461479 12.428361 12.476746 12.311464 11.60733 11.554588 11.541581 11.86225 11.814982 11.876516 11.653741 11.63753 11.63934 11.694358 11.638888 11.595724 11.900112 11.889884 11.909143 12.334832 12.467606 12.51496 415.2591 415.2591@6.6899576 6.6899576 12.511753 12.658435 12.460199 12.55315 12.564864 12.550025 12.462757 12.479527 12.575776 12.546653 12.601771 12.361121 12.550507 12.4683695 12.562481 12.397942 12.546412 12.306062 12.383974 12.380731 12.531137 12.481042 12.5216 12.498101 12.444238 12.548821 12.450696 304.2233 8,9,16-trihydroxy palmitic acid 11.154945 12.203348 12.259154 12.28077 12.778898 12.59549 12.594091 12.51939 12.595024 12.55315 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 342.1483 342.1483@11.72395 11.72395 13.777769 12.573884 13.699573 13.831208 13.705416 12.582377 12.61356 12.711021 12.500344 12.530162 12.673088 13.733228 13.737036 12.753426 13.710914 13.811073 13.743466 13.7029295 13.736296 13.708114 13.749869 13.724514 12.7688055 13.781258 12.534304 13.630154 13.81978 312.1365 312.1365@11.824949 11.824949 12.572227 12.549785 12.5326 12.67904 12.611256 12.485327 12.515454 12.573174 12.623653 12.677939 12.595957 12.625709 12.645883 12.685843 12.559137 12.521111 12.68672 12.532113 12.519637 12.508042 12.5677185 12.569381 12.6091795 12.521355 12.650827 12.571516 12.601771 783.5697 783.5697@13.434971 13.434971 12.25886 12.141788 12.059345 12.032045 12.053587 12.129283 12.721952 12.71403 12.448374 11.940681 11.94398 11.793603 11.861862 11.91998 11.932584 11.947271 12.054265 11.885315 11.761967 11.8607 11.356452 11.997179 11.802113 11.865734 11.764043 11.913637 11.957828 318.2753 318.2753@12.640959 12.640959 12.610103 12.564626 12.483564 12.530162 12.548821 12.458663 12.579788 12.518653 12.451727 12.343463 12.5398855 12.451468 12.544965 12.610563 12.499598 12.450438 12.399011 12.415477 12.31713 12.490601 12.435671 12.419434 12.38019 12.424954 12.379649 12.434889 12.5377035 724.512 724.512@14.214984 14.214984 14.496354 14.5236845 14.400413 14.402079 14.481547 14.458279 14.446954 14.29842 14.446954 14.302997 14.380123 14.325657 14.466204 14.270588 14.353009 14.333714 14.361738 14.41171 14.343117 14.333924 14.450051 14.50798 14.336298 14.449859 14.378092 14.317059 14.50221 451.2692 LysoPE(16:1(9Z)/0:0) 5.603965 14.005097 13.962083 13.912795 14.474023 14.499908 14.546534 14.381948 14.429667 14.403611 15.740334 15.704904 15.344435 15.587836 15.586957 15.589562 14.80004 14.807304 14.78489 15.563495 15.60061 15.615371 15.642221 15.634046 15.622968 15.229195 15.212306 15.206823 291.1485 291.1485@0.92899805 0.92899805 12.135068 12.026177 12.085473 12.546412 12.515946 12.50829 11.689124 11.837627 11.641148 11.504323 11.715961 11.689998 11.696533 11.693051 11.63934 0 0 0 12.362765 12.38694 12.2620945 11.948002 11.75739 11.953833 11.746934 11.708221 11.796446 1035.762 1035.762@14.428987 14.428987 12.712097 12.658212 12.658212 12.71682 12.71489 12.676839 12.79157 12.750289 12.791774 12.626849 12.542789 12.617467 12.691307 12.744833 12.667998 12.602698 12.748611 12.682337 12.664448 12.745885 12.69675 12.778693 12.704336 12.771283 12.711021 12.675075 12.698052 737.4396 737.4396@6.4169583 6.4169583 12.030323 0 11.846273 12.28829 12.223398 12.952742 12.240195 12.849209 12.301782 15.076899 15.091973 15.027473 13.119589 14.810673 13.24362 12.010529 12.158295 12.139232 13.259743 14.724407 14.761447 13.262829 14.740413 13.158452 12.576248 12.533329 12.603626 409.3024 AM1172 11.174946 12.016111 11.850186 11.922213 12.361121 12.377752 12.279611 12.112765 12.218866 12.210976 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 709.4079 709.4079@5.2039676 5.2039676 0 0 0 12.759263 12.788718 12.599913 12.647684 12.328675 12.3963375 13.431237 13.543033 13.470531 13.53819 13.686063 13.407665 13.168672 12.974772 12.961268 13.519145 13.509156 13.539402 13.527111 13.457509 13.517424 13.612523 13.633336 13.531869 431.2304 431.2304@2.2149916 2.2149916 14.590704 14.595082 14.527355 11.681678 15.037418 15.016026 14.929305 14.984907 14.987663 14.855988 14.787035 14.7968 14.716927 14.689234 14.712634 13.731743 13.776434 13.031874 14.844901 14.790247 14.839647 14.923235 14.887793 14.868148 14.713065 14.745989 14.72776 211.1412 211.1412@3.662981 3.662981 15.61261 15.579287 15.521202 15.581789 15.612811 15.597791 15.545568 15.58637 15.562809 15.578285 15.519422 15.512184 15.5968895 15.544843 15.560154 15.510826 15.494418 15.431107 15.523898 15.482587 15.531778 15.50081 15.563524 15.517269 15.590178 15.478295 15.442781 365.2769 C15 H31 N11 11.164947 11.910644 12.005274 11.895953 12.341519 12.385593 12.330637 12.28077 12.376668 12.247928 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1083.6439 1083.6439@12.364954 12.364954 12.606405 12.596422 12.449664 12.560811 12.57554 12.478769 12.448374 12.328955 12.621137 12.468624 12.438012 12.451468 12.55267 12.605479 12.341241 12.526988 12.602002 12.405673 12.496354 12.517916 12.470658 12.523807 12.4759865 12.428098 12.516439 12.452756 12.45738 164.0473 164.0473@1.5679954 1.5679954 15.983951 15.924325 15.938638 16.863062 16.85482 16.871809 16.576616 16.94742 17.000494 16.548294 16.587513 16.590397 16.394344 16.311802 16.3427 16.193525 15.700629 15.718693 16.382269 17.624226 15.98722 16.96292 16.606 17.023993 15.818382 16.3146 15.701415 437.3342 (+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine 12.171952 11.795633 11.668885 11.631177 12.214319 12.2620945 12.214015 12.049507 11.942882 11.965424 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 764.2053 764.2053@3.3849828 3.3849828 11.811375 11.810572 11.754052 12.50928 12.55315 12.416798 12.316847 12.18022 12.211584 11.667111 11.594324 11.642503 11.488844 11.6114855 11.415742 0 0 0 11.944346 11.953105 12.068778 11.998943 12.016459 12.042343 11.741045 11.638436 11.506308 411.1338 411.1338@1.0119973 1.0119973 11.759889 11.976923 11.868438 12.343741 12.375854 12.509033 12.032735 12.153868 12.041317 11.893681 11.777255 11.719817 11.703038 11.851749 11.822173 0 0 0 11.808965 11.982281 11.775611 11.814982 11.738937 11.778899 11.404609 11.659104 11.360298 322.1624 322.1624@4.164977 4.164977 11.892543 11.799281 11.942148 12.585901 12.525766 12.595024 12.321082 12.393927 12.277287 12.580258 12.631405 12.604785 12.518653 12.632086 12.674413 11.711666 11.917373 11.707358 12.540371 12.5437565 12.606174 12.617467 12.495105 12.663336 12.565816 12.427312 12.573884 577.3296 577.3296@5.4289665 5.4289665 11.498351 11.616549 11.400346 11.875365 11.51274 11.738937 11.883789 11.736825 11.976923 12.259744 12.335669 12.165535 12.194449 12.099348 12.247928 11.610102 11.60548 11.715532 11.939579 11.985486 12.033078 12.251187 12.312032 12.006327 12.3592005 12.280191 12.314866 431.2295 431.2295@2.2149916:2 2.2149916 14.590704 14.595082 14.527355 14.07054 15.037418 15.016026 14.929305 14.984907 14.987663 14.855988 14.787035 14.7968 14.716927 14.689234 14.712581 13.731743 13.776434 13.031874 14.844901 14.790247 14.839647 14.923235 14.887793 14.868148 14.713065 14.745989 14.72776 342.2872 342.2872@9.039943 9.039943 12.307201 12.140191 12.204877 12.346237 12.268542 12.213711 12.158295 12.27903 12.239897 12.39607 12.325586 12.367414 12.199059 12.006327 12.343741 12.218866 12.319672 12.048828 12.28077 12.347068 12.394196 12.396605 12.296343 12.227015 12.163336 12.222795 12.228818 122.0386 122.0386@1.5979949 1.5979949 11.344851 11.907641 0 12.714675 12.683653 12.616319 12.406736 12.214319 12.188897 12.4683695 12.3592005 12.517177 12.423641 11.958552 12.147204 0 0 0 12.510022 13.548701 13.668331 12.630267 12.456354 12.617467 11.831307 0 11.467096 455.2718 455.2718@6.6319647 6.6319647 11.784636 11.624339 11.562719 12.218564 12.220379 12.10132 12.032391 12.012276 11.995767 0 0 0 11.627534 11.675076 11.564149 0 11.350939 0 11.351491 0 0 11.526988 11.445532 11.450696 11.984062 12.00808 12.095397 440.0663 440.0663@0.91299766 0.91299766 11.875365 11.775611 11.8997345 12.413892 12.533816 12.546894 12.270003 12.349005 12.3126 12.117968 11.961812 12.064405 12.076482 11.9307375 11.981567 0 0 0 12.161761 12.260331 12.097703 12.23062 12.357001 12.149429 11.944713 11.872675 11.871904 356.0989 356.0989@0.92099863 0.92099863 12.056299 12.010179 12.106564 12.523807 12.424166 12.357827 0 0 0 0 0 0 0 0 0 0 0 0 11.375583 11.43202 11.567005 0 0 0 0 0 0 287.2811 287.2811@9.678944 9.678944 12.113743 11.686501 11.766529 12.231822 12.141469 12.149429 12.131857 11.851358 11.917373 11.826945 12.035142 11.98833 13.697836 11.352595 12.0168085 12.162076 13.158925 11.781769 11.7870865 11.965784 11.6339035 11.651948 11.964703 12.206099 12.0199375 11.75238 11.872675 274.2498 274.2498@12.64696 12.64696 12.376124 12.378566 12.291171 12.347068 12.368234 12.323336 12.451468 12.36987 12.36167 12.343741 12.329797 12.287135 12.307486 12.231822 12.234817 12.2749605 12.304636 12.28251 12.288866 12.163964 12.203041 12.300638 12.326711 12.223398 12.477505 12.195065 12.239598 431.2294 431.2294@1.9349935 1.9349935 12.507299 13.030149 12.528698 13.497104 13.877763 13.363725 13.888839 13.639114 13.312599 13.408728 13.556985 13.55866 13.399679 13.289731 13.409391 0 11.879583 11.503826 14.477505 13.460456 14.523869 13.690434 13.528942 13.522214 13.47801 12.990812 13.333295 513.3143 513.3143@7.2309628 7.2309628 11.494855 11.598052 11.531382 12.047806 12.1026325 12.051549 12.031012 11.863799 11.96398 11.356452 0 0 11.324181 11.49085 0 0 0 0 11.536247 0 0 11.438272 11.549304 11.497852 11.90501 11.954923 11.917746 393.3087 C17 H35 N11 12.176954 11.747773 11.533816 11.620678 12.081151 12.158295 11.88226 11.912889 11.959277 11.85331 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 627.3764 627.3764@11.851952 11.851952 12.794619 12.894059 12.895764 12.779103 12.63934 12.813981 12.750707 12.734075 12.547136 12.749031 12.80816 12.906702 12.818782 12.662445 12.6956625 12.708221 12.651725 12.74966 12.734498 12.747774 12.564388 12.355076 12.777256 12.728345 12.734921 12.84784 12.645883 191.1302 191.1302@8.718944 8.718944 11.732168 11.881878 11.723661 12.2535515 12.388018 12.203348 11.497852 11.625253 11.673308 11.371232 11.589651 11.376125 12.362218 12.232422 12.359749 12.23332 12.2662 12.300067 12.124767 12.104926 12.091435 11.987618 11.942148 12.033768 11.976206 12.024101 11.873445 253.9751 253.9751@0.84599847 0.84599847 12.382894 12.457638 12.32643 12.416005 12.217654 12.489848 12.333434 12.464546 12.456867 12.361396 12.313167 12.314017 12.247037 12.342909 12.407268 12.376668 0 12.335948 12.408329 12.294046 12.218866 12.332597 0 12.345959 12.415213 12.248521 0 639.5273 639.5273@14.729997 14.729997 12.5741205 12.418907 12.465056 12.43593 12.502831 12.416798 12.360574 12.556745 12.526255 12.494355 12.396605 12.359749 12.35011 12.414684 12.519637 12.468624 12.373137 12.446307 12.4663315 12.276707 12.40594 12.305207 12.577665 12.61494 12.351768 12.385863 12.461223 875.6525 875.6525@13.749977 13.749977 12.462757 12.442166 12.484571 12.410187 12.450696 12.496605 12.235117 12.219168 12.367142 12.446049 12.461223 12.379649 12.361943 12.445015 12.512493 12.3888235 12.451211 12.311181 12.312032 12.328955 12.378566 12.4759865 12.39714 12.468624 12.181152 12.343185 12.391781 398.2414 398.2414@11.802949 11.802949 12.047123 12.011227 11.932214 11.956738 11.897467 11.936638 12.205793 12.31345 12.190443 11.824561 11.751126 11.793197 12.024447 11.926666 12.0378895 11.881878 11.859146 11.758223 12.114067 12.1443405 12.084476 12.256208 12.303495 12.147204 11.798472 11.849796 11.808562 331.1546 331.1546@8.753943 8.753943 12.308908 12.200286 12.130249 12.148158 12.130249 12.11959 12.101647 12.392854 12.137311 12.218261 12.254734 12.027906 12.074811 11.97298 12.061033 12.074811 12.0199375 11.905763 12.161131 12.023754 12.047806 11.967226 11.982636 12.024101 11.942515 11.866892 11.801708 195.0029 195.0029@1.0119973 1.0119973 11.581671 11.703038 11.714246 12.438533 12.27874 12.381002 12.033422 11.7657 11.945444 11.675957 11.587309 11.755304 11.608718 11.8902645 11.702173 0 0 0 11.80816 11.857593 11.836445 11.618844 11.730045 11.608255 0 0 11.328114 315.3129 315.3129@10.828945 10.828945 12.08945 11.946907 12.02514 11.991522 12.24377 12.028943 12.026524 12.082814 11.734287 12.057652 12.051549 11.892922 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11.812579 12.0633955 11.83368 11.8157835 11.647459 11.531382 0 0 0 0 0 0 0 0 0 11.33818 11.288866 11.404609 11.337064 11.336507 11.330916 0 0 0 725.0138 725.0138@14.213984 14.213984 13.673972 13.602699 13.609294 13.593158 13.598751 13.689998 13.680799 13.481421 13.612062 13.470659 13.528211 13.568194 13.438011 13.503204 13.549786 13.625024 13.477126 13.621365 13.576957 13.582025 13.503826 13.648245 13.540854 13.562362 13.449407 13.520495 13.540249 331.3231 331.3231@12.126954 12.126954 11.914759 11.712956 11.786269 11.905763 11.88722 11.720244 11.95819 12.025832 11.88684 11.949826 11.9683075 11.825754 11.823367 11.772727 11.618844 11.642955 11.723234 11.743152 11.653293 11.777255 11.811777 11.921097 11.80292 11.94398 11.721527 11.806147 11.791977 480.2707 480.2707@5.672964 5.672964 0 12.308623 0 13.252518 13.277868 12.513481 13.153869 13.339849 13.314866 14.693706 14.695771 14.654693 14.509218 14.511443 14.489346 13.616319 13.611947 13.6154 14.451018 14.4260025 14.420026 14.509712 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11.834472 210.1611 210.1611@8.767945 8.767945 13.19691 13.152286 13.2669325 14.158846 14.19368 14.239748 13.964251 14.024793 14.0394335 12.820976 12.83526 12.753217 13.833186 13.849796 13.914946 13.24674 13.85662 13.810069 13.059683 13.239152 13.198291 13.843332 13.852432 13.895953 15.56644 15.566053 15.579993 545.3907 545.3907@12.265953 12.265953 12.075812 11.976923 12.066762 12.050868 12.270295 11.993293 12.180531 11.903129 11.923698 11.465567 11.940313 11.791977 11.995414 11.916253 12.020286 11.807757 11.909518 0 11.818582 11.839598 11.98975 11.888363 11.947638 0 11.629812 11.5919895 11.652397 160.9629 160.9629@0.813998 0.813998 0 0 0 11.316281 11.469132 11.455327 0 11.287712 0 11.942148 11.694358 11.757807 11.748193 11.630267 11.733863 0 0 0 11.675957 11.621594 11.626164 11.591054 11.719389 11.675515 0 11.305492 0 963.7044 963.7044@13.707975 13.707975 11.9683075 11.945444 11.846273 11.901622 11.96398 11.720244 11.986197 11.893681 11.917373 11.970825 11.946175 11.994353 11.829722 11.91214 11.883407 11.819381 11.798877 11.903129 11.725366 11.85331 11.85837 11.96398 11.949098 11.932953 11.932953 11.843135 11.769425 601.3658 601.3658@7.3759828 7.3759828 0 0 0 11.728771 12.018548 11.769837 11.612868 11.910644 11.754888 0 0 0 11.29978 11.404078 0 0 0 0 0 0 0 0 0 0 11.587309 11.684749 11.636624 497.3547 2-tetracosanamidoethanesulfonic acid 11.160939 0 0 0 11.620219 11.513727 11.521601 11.432542 11.440869 11.381543 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 401.3488 401.3488@12.157953 12.157953 11.542064 11.689998 11.42993 11.389093 11.631177 11.471676 11.531869 11.463524 11.721099 11.506308 11.62388 11.463524 11.632541 11.391781 11.446567 11.538189 11.376125 11.363587 11.655978 11.315716 11.399812 11.444497 11.492354 11.577901 11.549304 11.588246 11.5265 463.3511 463.3511@12.954961 12.954961 C18745 11.47015 11.384244 11.5731735 11.487338 11.679041 11.807355 11.557942 11.828137 11.35975 11.473705 11.433064 11.685186 11.795228 11.672867 11.580259 11.463524 0 11.347622 11.395534 11.41996 11.747773 11.563196 11.302068 11.763627 11.597121 11.645208 11.57033 240.0198 Methacrifos 0.90799856 12.123475 12.02756 11.777255 12.43593 11.969747 12.328114 12.100991 11.755304 11.794822 0 0 0 0 0 0 0 0 0 11.40886 11.304352 0 0 11.424167 11.555548 11.534303 11.413628 11.564149 300.2013 300.2013@13.443974 13.443974 11.483312 11.381002 11.535761 0 11.38694 11.447083 11.47624 11.45018 11.541581 11.533816 11.314583 11.49085 11.440869 11.763627 11.287712 11.415214 11.498351 11.42836 11.503328 11.522091 0 0 11.30321 11.604552 0 11.430976 11.292321 315.3137 315.3137@11.352947 11.352947 11.717248 11.731319 11.916253 11.798066 11.767357 11.6339035 11.693051 11.824561 11.5919895 11.796851 11.611947 11.656871 11.781769 11.781769 11.598518 11.492855 11.905388 11.741045 11.940313 11.774375 11.733863 11.723234 11.63934 11.728346 11.655084 11.888363 11.703038 699.5465 699.5465@13.846978 13.846978 C02678 11.777255 11.959277 11.740624 11.6289015 11.759056 11.969387 11.868823 11.922585 11.902376 11.864186 11.763213 11.89709 11.950556 11.707358 11.941782 11.822173 11.846665 11.769425 11.773551 11.8328905 11.530406 12 11.987618 11.640697 11.75238 11.807355 11.328674 230.1503 Dodecanedioic acid 10.58295 0 0 11.334273 11.619304 11.516685 11.61425 0 0 0 0 0 0 11.72494 11.428884 11.544481 11.472691 11.436711 11.548341 11.83012 11.754469 11.90501 11.46148 11.632541 11.644307 11.4476 11.42993 11.421013 943.9835 943.9835@0.5619989 0.5619989 12.581906 14.000969 12.35232 13.99912 13.500592 13.004922 13.764562 0 13.822969 11.746934 13.618385 14.064658 13.093913 13.589885 13.612638 13.6797 14.119266 13.866023 13.885696 13.937466 12.829327 13.847547 12.968667 14.327833 13.02098 0 13.773345 388.1046 388.1046@11.930953 11.930953 11.45892 11.595724 11.362492 11.43202 11.5068035 11.618844 11.577429 11.508785 11.63345 11.392854 11.352044 11.471168 11.617008 11.413628 11.391781 11.457893 11.407268 11.549786 11.521601 11.399812 11.499348 0 11.288866 11.493355 11.310613 11.515207 11.476747 759.4546 759.4546@11.793949 11.793949 14.13274 14.082481 14.137952 14.104107 14.123394 14.105089 14.078817 14.109993 14.148873 14.075896 14.084725 14.171567 14.093664 14.067182 14.044736 14.100826 14.094903 14.082814 13.995325 14.060949 14.124283 14.0682745 14.131857 13.96452 14.084061 14.101073 14.199135 803.4799 803.4799@11.776951 11.776951 C11821 14.19468 14.158609 14.24674 14.245479 14.173599 14.232796 14.176641 14.254216 14.275106 14.120886 14.166947 14.2023535 14.236314 14.100908 14.280553 14.272994 14.273504 14.292896 14.124848 14.133383 14.168515 14.202431 14.178742 14.129927 14.269566 14.222191 14.228217 184.0258 5-Hydroxyisourate 0.8979982 11.300924 11.348175 11.448632 11.709084 11.768598 11.683434 11.550747 11.669329 11.291746 0 0 0 0 0 0 0 0 0 11.305492 11.2946205 0 11.414157 11.476747 0 11.367961 0 0 645.3932 645.3932@7.4369574 7.4369574 0 0 0 11.622968 11.641601 0 11.522091 11.649706 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.444497 11.394999 637.2936 637.2936@9.043943 9.043943 11.617008 11.5807295 11.644307 11.63345 11.5807295 11.63934 11.612408 11.456354 11.579787 11.502831 11.654635 11.445015 11.55411 11.444497 11.547376 11.51422 11.494356 11.384784 11.468624 11.641601 11.537218 11.56081 11.420486 11.465567 11.56748 11.414157 11.497354 113.0937 113.0937@0.89199805 0.89199805 11.42993 11.500842 11.338737 11.300352 11.6617775 11.401946 11.683872 11.394999 11.55411 11.415742 11.400346 0 11.322492 0 11.305492 0 0 0 11.535761 11.307201 11.521601 11.606404 11.378295 11.321928 11.476747 11.371232 11.407799 847.5055 847.5055@11.75495 11.75495 14.213029 14.2225685 14.232572 14.218412 14.189902 14.300138 14.187429 14.228217 14.31833 14.21523 14.230396 14.153235 14.287424 14.183169 14.102057 14.192832 14.149747 14.200056 14.17781 14.146647 14.176874 14.245775 14.246889 14.203348 14.234669 14.192139 14.268981 583.3483 583.3483@11.868951 11.868951 11.511753 11.587777 12.029977 12.186423 11.760304 12.222795 12.003518 12.2285185 12.022714 12.037203 11.617008 11.954559 12.044394 12.128961 12.039262 12.1147175 12.058668 11.690871 11.997179 11.367414 12.030666 12.000352 11.994707 12.109505 11.940313 12.263269 12.260331 155.0185 155.0185@0.8959977 0.8959977 11.624796 11.619761 11.315149 11.528942 11.476747 11.656425 11.403545 11.340962 11.31345 11.517669 11.294046 0 0 0 11.346514 0 0 0 11.342074 11.384784 11.463013 0 11.348728 11.315149 11.352595 0 0 891.5317 891.5317@11.735949:2 11.735949 14.028597 14.090361 14.062973 14.127913 14.073054 14.161053 14.084892 13.999824 14.060611 14.080069 14.141069 13.90049 14.036345 14.120643 14.075896 14.119428 14.102797 14.037203 14.084144 14.080818 14.06861 14.041232 14.007203 14.025485 14.031614 14.129364 14.100579 616.3744 616.3744@12.311956 12.311956 12.886268 12.95801 12.967406 13.075813 12.88703 12.895954 12.83743 12.9003 12.910643 13.034455 12.963799 12.9728 12.843528 12.805744 12.916066 12.9311075 12.833878 12.814382 12.805341 12.775405 12.815183 12.903504 12.874022 12.938109 12.883788 12.77087 12.94855 847.5064 847.5064@11.75495 11.75495 14.213029 14.2225685 14.232572 14.218412 14.189902 14.300138 14.187429 14.228217 14.31833 14.21523 14.230396 14.153235 14.287424 14.183169 14.102057 14.192832 14.149747 14.200056 14.17781 14.146647 14.176874 14.245775 14.246889 14.203348 14.234669 14.192139 14.268981 699.417 699.417@10.301945 10.301945 11.421539 11.651948 11.536733 11.60733 11.668885 11.732168 11.456868 11.570805 11.535275 11.701739 11.421539 11.664447 11.553149 11.536247 11.58637 11.716391 11.654635 11.641601 11.598518 11.376668 11.437753 11.6289015 11.535761 11.530406 11.683872 11.515207 11.418906 715.4268 715.4268@11.81195 11.81195 13.827641 13.883407 13.89586 13.814683 13.824163 13.812378 13.726749 13.846471 13.854186 13.778591 13.87968 13.763316 13.728771 13.761967 13.848819 13.93046 13.772108 13.773654 13.799483 13.80514 13.785249 13.770871 13.815984 13.745359 13.79756 13.808562 13.783509 743.4444 743.4444@10.294943 10.294943 11.42574 11.58637 11.520618 11.61563 11.555548 11.3592005 11.598983 11.530406 11.698271 11.579787 11.42259 11.686938 11.543033 0 11.444497 11.481295 11.736825 0 11.595258 11.364135 11.466586 11.5464115 11.485326 11.598983 11.58637 11.389093 11.444497 655.3926 655.3926@10.30494 10.30494 11.710806 11.518161 11.469642 11.595258 11.473705 11.645208 11.561765 11.350387 11.51274 11.527477 11.494855 11.479275 11.41204 11.689124 11.627534 11.727495 0 11.413099 11.649706 11.442944 11.495855 11.578373 11.3185425 11.667111 11.555069 11.488342 11.431498 414.0348 414.0348@12.705975 12.705975 11.616549 11.47624 11.438791 11.638888 11.36304 11.556985 0 11.327553 11.378295 0 0 0 11.317412 11.5731735 11.340406 11.426265 11.336507 0 0 0 11.421013 0 11.291746 0 0 11.39607 11.3706875 308.1194 308.1194@5.967962 5.967962 C05551 0 0 0 0 0 0 0 0 0 21.766943 21.707485 21.755487 21.556679 20.83206 21.567665 20.671589 20.002262 20.714418 21.81063 21.817566 21.124872 20.771059 20.973152 21.634344 16.005295 16.901833 15.999053 334.0985 Penicillin G 4.5919733 0 0 0 0 0 0 0 0 0 20.919058 20.91734 20.887 20.915829 20.87075 20.893118 20.36225 20.373198 20.35048 20.878378 20.887104 20.90086 20.770206 20.74858 20.758677 15.864332 15.836642 15.822546 308.1193 308.1193@5.967962 5.967962 0 0 0 0 0 0 0 0 0 21.766943 21.707485 21.755487 21.556679 20.83206 21.567665 20.671589 20.002262 20.714418 21.81063 21.817566 21.124872 20.771059 20.973152 21.634344 16.005295 16.901833 15.999053 352.1086 352.1086@5.3119664 5.3119664 0 0 0 0 0 0 0 0 0 20.179182 20.209587 20.173254 20.049131 20.060799 20.045248 19.238834 19.211845 19.209112 20.195005 20.191332 20.210672 20.01527 19.975523 20.025158 14.960636 15.002111 15.045673 599.2749 8-Hydroxydihydroergotamine 0.76299846 0 0 0 0 0 0 0 0 0 20.03923 20.027666 19.870838 20.14365 20.156487 20.129929 18.678413 18.743309 18.698263 19.546007 19.55379 19.558966 19.658743 19.440004 19.667421 14.799333 14.816883 14.7305765 352.1089 352.1089@5.386966 5.386966 0 0 0 0 0 0 0 0 0 19.535599 19.498833 19.500832 19.459053 19.458527 19.477716 18.640104 18.692337 18.706205 19.611082 19.615608 19.614258 19.438189 19.42533 19.432024 15.731929 15.740466 15.754548 308.119 308.119@5.9659615 5.9659615 0 0 0 0 0 0 0 0 0 21.737156 21.702288 21.724623 21.527174 20.207266 21.537838 20.650633 19.231234 20.702951 21.778631 21.786186 20.639664 21.656563 20.14334 21.604977 15.931753 16.901999 15.789457 120.0436 120.0436@1.2969968 1.2969968 C00413 17.068779 0 0 0 0 19.112968 18.461903 17.336428 16.958496 18.782211 18.787685 18.408209 20.573177 17.095531 18.384295 16.346098 0 0 0 18.522934 19.216255 20.578928 18.798489 0 17.44864 17.438297 0 581.2643 Streptomycin 0.7619984 0 0 0 0 0 0 0 0 0 18.568373 18.64366 18.610073 18.884684 18.900578 18.850382 17.299236 17.13907 17.260166 18.275469 18.278723 18.278101 18.05236 18.036373 18.039803 12.392317 12.33818 12.297776 179.0943 2(N)-Methyl-norsalsolinol 5.0239697 0 0 0 0 0 0 0 0 0 18.83129 18.83556 18.818768 18.594051 18.630136 18.609814 17.774916 17.741915 17.708189 18.64782 18.663273 18.64835 18.543869 18.514399 18.514338 14.72366 14.662445 14.600435 120.0436 120.0436@0.97999763 0.97999763 19.241152 18.101357 18.181175 0 0 18.426952 0 0 19.354465 18.397783 18.113482 0 18.265295 0 0 0 0 17.961573 18.270061 18.292608 0 18.426657 0 0 0 0 17.976614 581.264 581.264@0.8609981 0.8609981 0 0 0 0 0 0 0 0 0 16.292213 16.259945 16.278051 16.121918 16.108095 16.123838 15.250928 14.903553 15.262425 17.969667 17.951359 17.96193 16.406157 16.379683 16.40168 12.665113 12.633223 12.519637 599.2745 599.2745@0.7719983 0.7719983 0 0 0 0 0 0 0 0 0 19.736746 19.727114 19.732538 19.860134 19.873817 19.854742 15.632455 0 15.632172 17.532705 17.533657 17.530947 16.78342 19.340755 19.33017 14.1653 14.163178 14.125414 55.0051 55.0051@0.7399984 0.7399984 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 613.2901 613.2901@0.861998 0.861998 C05598 0 0 0 0 0 0 0 0 0 11.425216 11.583082 11.42836 11.605017 11.62388 11.625253 0 0 0 17.008121 17.032335 17.01233 0 0 0 0 0 0 193.0734 Phenylacetylglycine 5.0889688 C00189 0 0 0 0 0 0 0 0 0 16.963404 16.986254 16.986631 16.796913 16.784035 16.77301 15.759212 15.724728 15.735715 17.080963 17.076733 17.036667 16.85713 16.846592 16.87533 12.381543 12.266787 12.370959 61.0533 Ethanolamine 5.0249677 0 0 0 0 0 0 0 0 0 16.699614 16.750916 16.729475 16.533482 16.550747 16.526712 15.687129 15.660441 15.635577 16.56586 16.579227 16.610304 16.483706 16.433537 16.462997 0 0 0 59.0376 59.0376@0.58199877 0.58199877 0 0 0 0 0 0 0 0 0 15.428621 0 0 0 15.418313 0 0 0 15.340475 0 0 15.431301 19.38659 0 0 0 15.44634 0 527.1712 C24 H27 N6 O6 S 6.5049586 C06808 0 0 0 0 0 0 0 0 0 16.5179 16.514698 16.501402 16.43476 16.417606 16.401814 15.645658 15.621451 15.647627 16.536808 16.539568 16.566633 16.390522 16.351389 16.37084 12.052907 12.145615 12.037547 75.0323 acetohydroxamic acid 5.0889664 C10851 0 0 0 0 0 0 0 0 0 16.430763 16.444044 16.450535 16.283396 16.279085 16.256393 15.435279 15.446469 15.484319 16.481453 16.500328 16.505936 16.35275 16.331425 16.351612 0 0 0 175.084 Calystegin B2 0.7719983 C08033 0 0 0 0 0 0 0 0 0 16.179344 16.171997 16.169104 16.164848 16.201664 16.1136 15.400112 15.351561 15.353699 15.948116 16.002815 15.995678 16.00411 16.002333 16.033121 0 0 12.081816 712.3042 Dalfopristin 1.5889953 0 0 0 0 0 0 0 0 0 14.662334 14.841908 14.861959 14.635151 14.613905 14.657988 13.405009 13.243917 13.291459 15.613962 16.160915 16.249336 14.626622 14.648245 14.523807 0 0 0 308.1181 Tyrphostin B44 (-) 5.386966 C12381 0 0 0 0 0 0 0 0 0 15.549003 15.417852 15.038148 15.383469 15.317801 15.239411 14.419169 14.4452095 14.15173 15.57036 15.477947 14.768391 14.838711 14.568312 15.270369 0 0 0 660.2015 Elloramycin A 5.967962 0 0 0 0 0 0 0 0 0 16.113111 16.06173 16.094614 15.94622 15.90581 15.962987 14.574654 14.519452 14.447277 16.005756 16.035528 16.00165 15.791901 15.782563 15.731531 0 0 0 712.3039 712.3039@1.3269964 1.3269964 C10152 0 0 0 0 0 0 0 0 0 15.915646 15.935234 15.887792 15.624339 15.617151 15.638238 14.6740265 14.659327 14.707143 15.979 15.925276 15.975131 15.752485 15.917139 15.733228 0 11.470658 11.67154 143.1305 (-)-Hygroline 4.127977 0 0 0 0 0 0 0 0 0 15.639736 15.711479 15.653741 15.191676 15.17149 15.165888 13.441128 13.349281 13.407665 15.908112 15.897703 15.954537 15.911251 15.862371 15.875245 15.058837 15.021674 15.043412 424.1903 Cys Phe Arg 0.76899827 0 0 0 0 0 0 0 0 0 15.818032 15.7918 15.817509 15.780925 15.786933 15.749188 14.983439 14.953197 14.966911 15.430387 15.482272 15.45491 15.627933 15.604002 15.591347 11.617468 0 11.629356 90.0469 C7 H6 5.0879664 0 0 0 0 0 0 0 0 0 15.74152 15.759133 15.740887 15.595286 15.578491 15.586723 14.871471 14.877189 14.854625 15.850139 15.809618 15.806802 15.700791 15.659522 15.7506275 0 0 0 334.0979 334.0979@3.6709802 3.6709802 0 0 0 0 0 0 0 0 0 15.574446 15.529095 15.593683 15.462758 15.449471 15.500219 14.828186 14.791469 14.752223 15.565786 15.592281 15.578342 15.433128 15.423313 15.354215 0 0 0 121.0456 121.0456@0.8129983 0.8129983 13.574239 0 0 16.120886 0 17.685734 17.36551 13.79999 15.625824 15.163335 13.4743395 16.337082 14.93742 16.5779 13.919515 16.154503 14.097045 14.739517 12.621823 14.405673 13.540854 15.424003 15.766452 13.318825 13.694358 15.459944 14.87877 308.1188 308.1188@5.3129673 5.3129673 0 0 0 0 0 0 0 0 0 14.982637 14.786474 15.491132 15.281459 14.337482 14.412768 13.741045 13.710483 14.7438345 14.977683 14.677994 15.457605 15.434693 15.427673 14.789788 0 0 0 144.0005 144.0005@0.7899985 0.7899985 C03065 13.34693 13.264296 13.163493 0 0 0 14.79913 14.902941 14.774735 14.031701 13.966326 13.951194 13.008953 13.113742 13.125575 15.368676 15.336263 15.304814 13.651388 13.549423 13.636171 14.676454 14.714835 14.686008 15.047805 14.955105 15.050741 131.0693 3-Guanidinopropanoate 0.9879973 0 0 0 0 0 0 0 0 0 15.263599 15.371777 15.315185 15.236464 15.262462 15.217465 14.550807 14.558062 14.630381 15.081442 15.082814 15.068988 14.985531 14.991788 15.005624 14.794721 14.832297 14.753426 443.1175 Met-Trp-OH 4.723971 0 0 0 0 0 0 0 0 0 15.123637 15.108524 15.131374 14.888125 14.9023285 14.903411 14.026264 14.026696 14.023148 15.108402 15.108116 15.118779 14.960816 14.921329 14.989173 0 0 0 60.0329 60.0329@0.94899803 0.94899803 13.391378 0 13.063901 12.400879 0 0 0 0 0 0 14.644475 14.4907255 14.530954 0 0 0 14.528272 13.937373 13.85905 0 14.234967 0 13.88722 13.717141 0 0 12.986908 90.047 C7 H6 null 5.0259676 5.0259676 0 0 0 0 0 0 0 0 0 15.143144 15.237583 15.206289 14.945078 15.021586 14.955741 14.182782 14.205182 14.134828 14.9939995 15.059852 15.024533 14.915226 14.863896 14.903646 0 0 0 453.1016 C17 H13 N10 O6 3.8879788 0 0 0 0 0 0 0 0 0 14.693433 14.680579 14.725367 14.5560875 14.519268 14.491791 13.738937 13.845881 13.804434 14.925787 14.929628 14.957101 14.659327 14.652117 14.688687 0 0 0 142.025 142.025@2.0289927 2.0289927 0 15.688497 14.108523 14.862249 0 15.564507 0 0 0 14.336088 14.040033 14.266128 0 0 14.674799 0 14.534546 14.134666 0 14.526072 14.653686 14.599738 13.993912 0 14.432803 14.4421015 0 684.2739 C27 H40 N8 O13 0.95399785 0 0 0 0 0 0 0 0 0 14.874886 14.908909 14.904023 14.944025 14.9547415 15.005756 13.948641 14.053416 13.987441 15.036303 15.02566 15.040161 14.698434 14.715909 14.72877 0 0 0 364.2814 364.2814@11.167946 11.167946 C17589 12.647458 12.697402 12.676619 0 0 0 0 0 0 0 0 0 14.7882595 14.734075 14.747196 0 0 0 0 0 0 0 0 0 0 0 0 613.2895 6-Deamino-6-dehydro-6-oxoneomycin C 0.7719981 0 0 0 0 0 0 0 0 0 12.594558 12.982637 12.751753 12.785862 12.93958 12.881496 0 0 0 15.457092 15.429702 15.383299 11.793603 12.38019 11.832098 0 0 0 712.3042 712.3042@1.3849962 1.3849962 C09662 0 0 0 0 0 0 0 0 0 15.7185335 15.689152 15.76194 15.422984 15.432476 15.50609 14.309122 14.203271 14.146728 15.979 15.925276 15.975131 15.441453 15.320801 15.400913 0 11.470658 11.67154 366.1715 Diacetoxyscirpenol 5.932962 0 0 0 0 0 0 0 0 0 14.611313 14.574772 14.650323 14.537521 14.503887 14.571693 13.963618 13.977906 14.007816 14.721793 14.741363 14.783663 14.681184 14.66811 14.6832695 0 0 0 308.1187 308.1187@5.3129673 5.3129673 0 0 0 0 0 0 0 0 0 14.982637 14.786474 15.491132 15.281424 14.337482 14.412768 13.743362 13.712635 14.7438345 14.977683 14.677994 15.457605 15.434693 15.427673 14.789788 0 0 0 962.3014 > limit null 5.966961 5.966961 0 0 0 0 0 0 0 0 0 14.286991 14.26993 14.356588 14.029547 14.018548 13.994884 12.672868 12.716605 12.820777 14.550746 14.521478 14.526317 14.292896 14.328395 14.375379 0 0 0 142.0252 142.0252@5.2219653 5.2219653 12.23062 0 0 0 0 0 0 0 0 0 16.159437 14.832692 14.83531 15.933298 14.016895 13.024447 0 0 0 15.391411 16.026264 15.527447 0 15.088085 11.74273 0 0 990.2997 > limit null 5.967962 5.967962 0 0 0 0 0 0 0 0 0 14.452242 14.368301 14.377752 14.30599 14.321434 14.362765 12.956558 12.806952 12.752589 14.177497 14.282075 14.166868 13.952924 13.916906 13.899357 0 0 0 543.2373 C17 H35 N8 O12 0.76399845 0 0 0 0 0 0 0 0 0 14.203196 14.171881 14.094242 14.2818575 14.353354 14.279973 13.172271 13.089285 13.088126 13.866988 13.913824 13.972531 13.735451 13.729408 13.719923 0 0 0 581.2646 581.2646@0.8609981 0.8609981 C18739 0 0 0 0 0 0 0 0 0 16.567436 16.551603 16.563286 16.4691 16.426363 16.403412 15.550055 15.134506 15.567005 18.253298 18.237116 18.252449 16.73169 16.677637 16.724367 12.956739 12.956921 12.847645 296.0493 Enilconazole 1.5929952 0 0 0 0 0 0 0 0 0 14.35156 14.357552 14.315363 14.223323 14.176641 14.172975 13.481546 13.476113 13.470277 14.303068 14.360641 14.283234 14.2786665 14.231671 14.2556925 0 0 0 106.0625 106.0625@1.4679956 1.4679956 14.688851 14.897279 14.647178 0 0 0 14.74725 14.8154335 14.616836 0 0 0 0 0 12.27263 0 0 0 0 0 0 0 11.761551 0 0 12.12735 0 613.29 613.29@0.7759983 0.7759983 0 0 0 0 0 0 0 0 0 12.52601 12.627078 12.526744 12.71403 12.76072 12.684749 0 0 0 15.568876 15.5447235 15.07598 11.844313 12.119913 12.126704 0 0 0 425.3342 425.3342@11.164947 11.164947 11.81978 11.608255 11.580259 0 0 0 0 0 0 0 0 0 14.114636 14.079652 14.083313 0 0 0 0 0 0 0 0 0 0 0 0 320.2551 320.2551@11.157945 11.157945 12.979069 12.921284 12.920725 0 0 0 0 0 0 0 0 0 14.156714 14.189902 14.14091 0 0 0 0 0 0 0 0 0 0 0 0 90.047 C7 H6 null 5.0259676 :3 5.0259676 0 0 0 0 0 0 0 0 0 15.143144 15.237583 15.206289 14.945078 15.021586 14.955741 14.182782 14.208539 14.134828 14.9939995 15.059852 15.024533 14.915226 14.863896 14.903364 0 0 0 1268.7285 1268.7285@6.167 6.167 C01907 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 527.1714 Daunorubicin 7.111953 0 0 0 0 0 0 0 0 0 14.147125 14.113417 14.1586895 14.063647 14.017069 14.10877 13.438532 13.355764 13.401013 14.171255 14.132901 14.123636 13.94398 14.062469 14.0287695 0 0 0 193.0949 C8 H11 N5 O 0.90399784 0 0 0 0 0 0 0 0 0 14.077733 14.131133 14.060611 14.143542 14.144578 14.099348 13.686392 13.69207 13.698162 14.06508 14.104926 14.055028 13.640923 13.670987 13.660553 0 0 0 257.1023 5-Methylcytidine 0.904998 C01109 0 0 0 0 0 0 0 0 0 13.943064 13.932122 13.922119 14.100333 14.1228285 14.030323 13.06693 13.097538 13.097703 12.518899 12.463269 12.345406 12.197217 12.231222 12.2502985 12.160816 11.876901 11.975848 158.0685 4-Methylene-L-glutamine 0.93099785 0 0 0 0 0 0 0 0 0 0 0 13.701306 14.385256 14.46116 14.439507 0 0 14.893586 0 0 0 0 0 0 0 0 0 352.1087 352.1087@6.5049586 6.5049586 0 0 0 0 0 0 0 0 0 13.72398 13.797966 13.781463 13.672867 13.681019 13.626393 12.848036 12.873829 12.919049 13.783509 13.821475 13.78831 13.594559 13.647796 13.656871 0 0 0 101.9905 101.9905@0.79799837 0.79799837 11.6339035 11.899357 11.795228 0 0 0 13.51237 13.456354 13.430191 12.797459 12.711236 12.836445 0 11.5622425 0 14.034369 13.986909 14.103944 12.312883 12.18022 12.271463 13.503826 13.500967 13.465311 13.640245 13.602351 13.707252 203.0549 203.0549@1.4139961 1.4139961 15.507732 15.488122 15.486521 0 0 0 15.88879 15.899002 15.858783 15.9443 15.899475 15.903859 15.6942215 15.793756 15.7142725 14.781104 14.743309 14.703417 0 0 0 15.755174 15.807203 15.757572 14.81923 14.793095 14.753634 741.6235 741.6235@13.743979 13.743979 C10547 13.179754 12.567005 12.550507 0 0 0 13.94398 12.641375 12.539643 12.465821 12.056638 12.114393 11.409391 0 0 0 0 0 0 0 0 12.771696 12.35232 12.1424265 0 0 0 386.1728 Burseran 9.3579445 0 0 0 0 0 0 0 0 0 13.400212 13.300066 13.270879 13.740518 13.724514 13.707252 13.622853 13.654412 13.653741 13.625937 13.730682 13.665225 13.840679 13.802213 13.809466 12.881879 12.978889 12.939213 356.1518 4-Chloromethandienone 1.384996 0 0 0 0 0 0 0 0 0 15.335424 15.278812 15.364374 15.006852 15.052737 15.1216955 13.927962 15.059724 13.783509 15.543122 15.579964 15.590703 14.98935 14.926249 15.019199 0 0 11.324743 469.36 469.36@11.1569395 11.1569395 0 0 0 0 0 0 0 0 0 0 0 0 13.58508 13.723127 13.562719 0 0 0 0 0 0 0 0 0 0 0 0 366.1715 366.1715@5.932962:2 5.932962 C00791 0 0 0 0 0 0 0 0 0 14.611313 14.574772 14.650323 14.537521 14.503887 14.571693 13.963618 13.977906 14.007816 14.721793 14.741363 14.783663 14.681184 14.66811 14.6832695 0 0 0 113.0588 Creatinine 1.0129975 0 0 0 0 0 0 0 13.070959 0 14.113743 13.199673 13.805543 12.937005 13.685405 13.388017 13.257831 12.991698 13.085472 13.6581 13.657318 13.390437 13.187042 13.231371 13.17742 13.281495 13.4470825 14.2548065 159.0685 6-Methoxyquinoline 3.5809827 0 0 0 0 0 0 0 0 0 13.759472 13.750813 13.656871 13.784021 13.768598 13.734921 13.44592 13.371777 13.400346 13.303923 13.430714 13.278739 13.439701 13.464163 13.504943 13.647233 13.577429 13.582141 746.5797 746.5797@13.743978 13.743978 13.087794 12.664669 12.56415 0 0 0 13.870654 12.639566 12.554589 12.46786 12.064742 12.283667 11.522582 11.384244 0 0 0 0 0 0 0 12.840187 12.257977 12.333434 0 0 0 409.1117 2-Hydroxyiminodibenzyl glucuronide 3.9709787 0 0 0 0 0 0 0 0 0 13.467479 13.501091 13.504323 13.382084 13.313874 13.3337145 12.581201 12.577193 12.591289 13.569975 13.576248 13.584141 13.3966055 13.392719 13.426395 0 0 0 942.9815 942.9815@1.197997 1.197997 15.128195 14.233694 12.573411 13.14943 0 14.620735 14.13691 14.109505 12.351768 13.006852 11.712956 0 0 12.7805395 14.310613 12.25296 0 12.455841 0 12.955649 12.685625 13.417193 12.860117 12.621823 12.869594 0 12.608717 453.2752 453.2752@6.202037 6.202037 0 0 0 0 0 13.509775 12.974594 0 12.764872 13.711021 13.643856 13.688141 13.330496 13.196295 13.3947315 13.994442 12.038919 11.8572035 13.415478 13.494855 13.33999 13.480033 13.282074 11.5741205 12.397675 12.413363 12.340685 406.1781 Paratocarpin F 0.7739985 0 0 0 0 0 0 0 0 0 13.538067 13.517546 13.5768385 13.567005 13.438791 13.587426 12.834471 12.735556 12.789534 13.359063 13.323759 13.268834 13.41838 13.390304 13.35975 0 0 0 340.2976 340.2976@13.741974 13.741974 12.9019985 12.549543 12.520128 0 0 0 13.401546 12.651949 12.554589 12.303781 12.179287 12.300924 11.726644 11.575539 11.430452 0 0 0 0 0 0 12.758431 12.353698 12.232121 11.478264 0 0 686.2061 C29 H30 N14 O3 S2 6.7859535 0 0 0 0 0 0 0 0 0 13.523194 13.55866 13.417062 13.449019 13.490099 13.438011 12.820777 13.627534 12.690871 13.537946 13.574239 13.579198 13.433195 13.468751 13.386671 0 0 0 1312.7537 1312.7537@6.225999 6.225999 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 686.2063 C21 H26 N20 O6 S 7.592951 0 0 0 0 0 0 0 0 0 13.542185 13.690544 13.566411 13.513358 13.648357 13.58508 12.730682 12.722594 12.820976 13.807657 13.684092 13.6173525 13.52111 13.504819 13.372048 0 0 0 159.0347 Citiolone 5.3119664 0 0 0 0 0 0 0 0 0 13.558539 13.551948 13.485955 13.377617 13.409921 13.434759 12.756139 12.615629 12.753844 13.515331 13.553989 13.58367 13.453142 13.463141 13.4504385 0 0 0 129.0864 129.0864@0.88999826 0.88999826 12.304921 0 12.393659 0 0 0 0 0 0 0 13.18472 13.173365 0 0 0 0 13.092262 0 13.30777 0 0 0 13.497602 13.297632 0 0 0 513.3866 513.3866@11.150946 11.150946 0 0 0 0 0 0 0 0 0 0 0 0 13.173989 13.216745 13.1552925 0 0 0 0 0 0 0 0 0 0 0 0 527.3195 527.3195@6.514958 6.514958 C00431 0 0 0 0 0 0 0 0 0 13.3751745 14.103861 14.061372 13.29663 13.276125 0 12.543032 13.132178 13.150223 0 13.149271 12.62022 12.704121 13.161289 13.119103 12.588246 12.807757 0 117.077 5-Aminopentanoic acid 0.9469981 0 0 0 0 0 0 0 0 0 11.6339035 12.771489 13.75614 13.376396 13.271901 12.632086 13.6310625 12.051889 14.1791315 12.211888 0 12.892353 13.6485815 12.077483 0 12.465056 12.8191805 0 88.0525 88.0525@3.6579807 3.6579807 0 16.918165 0 0 0 0 13.754366 0 16.80841 0 0 16.931787 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 556.3371 C16 H42 N15 O7 6.597954 0 0 0 0 0 0 0 0 0 13.195219 13.436581 13.28135 13.215381 13.363861 13.315574 0 12.718533 12.726431 12.895386 13.123314 12.954014 13.30905 13.067434 13.08165 0 13.100826 0 489.1236 C15 H15 N13 O7 4.539974 0 0 0 0 0 0 0 0 0 13.15276 13.078151 13.097867 13.007553 12.988152 12.957828 0 12.196909 12.076482 13.263562 13.262388 13.261654 13.011927 13.005624 13.063227 0 0 0 581.2644 581.2644@0.7619984 0.7619984 0 0 0 0 0 0 0 0 0 18.592348 18.60731 18.573639 18.85448 18.868431 18.819397 17.281143 17.247353 17.245737 18.232635 18.235832 18.240194 18.008095 17.989134 17.98044 12.358927 12.33818 12.267079 556.0028 556.0028@6.5180683 6.5180683 0 0 0 11.687375 0 0 0 11.944713 0 13.11195 13.239747 13.323054 13.240046 13.325305 13.025486 12.479023 12.365775 12.500095 13.114068 12.968667 12.808562 13.237359 13.110972 12.884552 12.730258 12.701306 12.873059 682.2086 6-Hydroxytricetin 6,7,3,5-tetramethyl eter 5-robinobioside 5.3979645 0 0 0 0 0 0 0 0 0 13.257536 13.970645 13.96172 13.866217 13.012275 13.881592 12.034112 12.13603 12.179287 13.947181 13.937741 14.002288 13.822271 13.04593 13.790451 0 0 0 1356.779 1356.779@6.283999 6.283999 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 962.3025 > limit null 5.966961 :4 5.966961 0 0 0 0 0 0 0 0 0 14.286991 14.26993 14.356588 14.029547 14.018548 13.994884 12.672868 12.716605 12.820777 14.550746 14.521478 14.526317 14.292896 14.328395 14.375379 0 0 0 173.0506 C7 H11 N O2 S 5.9669595 0 0 0 0 0 0 0 0 0 13.755409 13.716069 13.824362 13.6154 12.837037 12.627078 12.805945 0 12.849209 13.814683 13.7845335 13.799687 13.645771 13.664781 13.564507 0 0 0 1000.2551 > limit null 5.933963 5.933963 C15739 0 0 0 0 0 0 0 0 0 13.379784 13.73767 13.278304 13.378972 13.682007 13.30905 13.21356 12.913076 13.061371 13.333435 13.474214 13.481295 13.432802 13.307485 13.3644085 0 0 0 546.3123 Westiellamide 5.908962 0 0 0 12.697837 0 12.272922 12.498351 12.46429 12.668884 14.440025 14.440025 14.4743395 14.146887 14.135309 14.137311 13.1605015 13.133784 12.692398 14.110076 14.118374 14.091765 14.249483 14.185107 14.153948 13.591873 13.662779 13.620334 1006.2651 > limit null 5.933963 :5 5.933963 0 0 0 0 0 0 0 0 0 12.929628 12.935534 12.927593 12.720885 12.757182 12.798878 11.623424 11.771901 11.668442 13.052059 13.048317 13.025139 12.840975 12.855257 12.934428 0 0 0 686.2054 C21 H26 N20 O6 S null 6.8939548 6.8939548 0 0 0 0 0 0 0 0 0 13.182859 13.205641 13.034283 13.099347 13.138272 13.045247 12.375039 13.627534 12.359475 13.240344 13.241686 13.277432 13.142426 13.171646 13.101155 0 0 0 88.0525 88.0525@3.6589804 3.6589804 0 16.918165 0 0 0 0 13.754366 0 16.80841 16.832037 0 16.931787 0 0 16.900854 0 0 0 0 0 0 0 0 0 0 0 0 1268.7278 1268.7278@6.167 6.167 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 570.6771 null 6.6399565 6.6399565 0 0 0 0 0 0 0 0 0 12.849404 12.940313 13.018722 12.965243 12.961811 13.012624 12.508042 12.435149 12.386131 12.590353 12.545929 12.613099 12.810974 12.6821165 12.836247 12.773552 12.74924 12.693269 669.2371 669.2371@0.78599983 0.78599983 C03032 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.1472 Cyclopiazonic Acid 7.95595 C00350 0 0 0 0 0 0 0 0 0 11.442426 11.387479 11.575539 11.419434 11.472183 11.296916 12.956195 12.994352 12.961631 0 0 0 11.710806 11.710376 11.792384 0 0 0 781.4647 PE(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) 6.513958 0 0 0 0 0 0 0 0 0 13.195834 12.888933 13.663225 13.623196 13.631972 12.820777 12.096386 12.219773 12.00878 13.442554 12.757807 12.704768 13.51237 12.699572 12.701089 12.307486 12.312316 12.488593 157.0829 157.0829@1.5789952 1.5789952 0 0 12.419169 0 0 0 0 0 0 0 0 0 0 12.465056 0 0 0 0 12.689561 0 0 0 0 0 0 0 0 557.4141 557.4141@11.137945 11.137945 0 0 0 0 0 0 0 0 0 0 0 0 12.625709 12.697402 12.69588 0 0 0 0 0 0 0 0 0 0 0 0 410.1602 Asn Phe Met 5.3109674 0 0 0 0 0 0 0 0 0 12.741888 12.774992 12.721099 12.509774 12.596422 12.632542 11.476747 11.647009 11.503328 12.687814 12.67926 12.746514 12.483059 12.587074 12.538674 0 0 0 454.3264 454.3264@13.460972 13.460972 12.401413 12.055282 11.923698 0 0 0 12.959278 12.213104 12.166476 11.694793 11.45892 11.61425 0 11.34596 0 0 0 0 0 0 0 11.802113 11.740624 11.5622425 0 0 0 634.3636 4-Oxomytiloxanthin 6.1659603 0 0 0 0 0 0 0 0 0 13.839892 13.776434 13.8292265 13.5464115 13.536855 13.651724 0 0 0 13.401813 13.395267 13.408596 13.558779 13.540249 13.557105 12.788921 12.71789 12.805542 368.2304 368.2304@13.127961 13.127961 12.476746 12.011577 12.094407 0 0 0 12.734286 12.290594 12.271754 12.108851 12.000352 11.91214 11.602699 11.370142 0 0 0 0 0 0 0 12.043027 11.913263 11.855647 0 11.455327 11.306062 1562.9312 1562.9312@6.432999 6.432999 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 423.2735 423.2735@13.185974 13.185974 11.73767 0 11.430976 0 0 0 12.927407 12.254142 12.039262 0 0 0 0 0 0 0 0 0 0 0 0 12.151016 11.932953 11.718961 11.56081 11.664002 0 259.0265 C8 H9 Cl2 N6 1.0699975 0 0 0 0 0 0 0 0 0 11.361396 11.590118 11.416798 0 0 0 11.357002 11.341519 11.599914 11.357002 11.320236 0 12.542307 12.489346 12.421802 12.940313 12.904259 12.969386 686.2068 C21 H26 N20 O6 S null 7.260953 7.260953 0 0 0 0 0 0 0 0 0 12.924998 13.021848 12.911954 12.987619 12.91008 12.994177 12.167731 12.204572 12.272338 12.983527 13.005273 12.974235 12.802919 12.836839 12.739147 0 0 0 712.1585 Quercetin 3-(6-malonylglucoside)-7-glucoside 4.5929737 0 0 0 0 0 0 0 0 0 12.947089 12.907078 12.976385 12.963077 12.948915 12.782998 12.491853 12.413892 12.300924 12.758016 12.840581 12.760928 12.651277 12.677499 12.627306 0 0 0 608.274 3-O-acetylecdysone 2-phosphate 0.85299844 0 0 0 0 0 0 0 0 0 12.368779 12.486333 12.427051 12.463269 12.494106 12.458663 11.808965 0 11.795633 0 0 0 11.900112 11.850968 11.814582 0 0 0 273.0421 C9 H11 N3 O5 S 1.070998 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.513234 0 0 0 0 12.33818 12.249113 12.300352 12.755931 12.748403 12.878626 448.2775 448.2775@13.739977 13.739977 12.157978 11.772727 11.880731 0 0 0 12.457893 11.858758 11.84235 11.720244 11.495855 11.693051 11.321928 0 0 0 0 0 0 0 0 11.862637 11.705632 11.647459 0 0 0 414.2035 414.2035@9.714942 9.714942 11.582612 11.555069 11.477253 0 0 0 12.082814 12.108851 12.099348 0 0 0 12.810572 12.8841715 12.844706 11.777666 11.830515 0 11.95964 12.080151 12.193832 11.814982 11.701306 11.780129 11.347622 11.608718 11.448632 1562.9294 1562.9294@6.5159993 6.5159993 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 682.208 682.208@5.3679657 5.3679657 0 0 0 0 0 0 0 0 0 12.786882 13.970645 13.96172 13.866217 12.859147 13.881592 11.616549 11.473705 11.5068035 13.947181 13.937741 14.002288 13.822271 12.546653 13.790451 0 0 0 759.4529 > limit null 6.388957 6.388957 C11815 0 0 0 0 0 0 0 0 0 12.804535 12.873252 12.6797 12.5068035 12.538674 12.566292 12.726218 12.47472 12.459687 12.408329 13.955379 12.391512 12.272922 12.611486 12.505563 11.793603 11.789942 12.3706875 527.1704 Isoalangiside 6.776955 0 0 0 0 0 0 0 0 0 12.394463 12.3968725 12.364134 12.24763 12.250891 12.259744 11.485326 11.594791 11.531382 12.314017 12.303781 12.42259 12.18797 12.334832 12.256799 0 0 0 748.1805 C25 H22 N19 O10 5.386966 0 0 0 0 0 0 0 0 0 12.610333 12.546171 12.52821 12.554109 12.461479 12.617007 11.844706 11.810572 11.939946 12.795025 12.6865015 12.570805 12.568193 12.330076 12.398209 0 0 0 421.3157 421.3157@13.74398 13.74398 11.909893 11.518161 11.521601 0 0 0 12.352594 11.556027 11.472183 11.440869 0 0 0 0 0 0 0 0 0 0 0 11.48079 0 11.385323 0 0 0 308.1183 308.1183@5.3129673 5.3129673 0 0 0 0 0 0 0 0 0 14.982637 14.786474 15.491132 15.281459 14.337482 14.412768 13.741045 13.710483 14.7438345 14.977683 14.677994 15.457605 15.434693 15.427673 14.789788 0 0 0 623.2336 623.2336@0.7849989 0.7849989 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 493.3954 493.3954@13.493968 13.493968 0 0 0 0 0 0 12.647458 11.764873 11.579787 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 625.2677 C24 H37 N10 O10 0.76399845 0 0 0 0 0 0 0 0 0 12.3387375 12.393122 12.376668 12.444497 12.350387 12.343741 11.36304 11.864573 11.871136 12.722168 12.581906 12.560572 12.3583765 12.307201 12.539643 0 0 0 280.0887 FKGK 11 4.938969 C13757 0 0 0 0 0 0 0 0 0 12.2502985 12.693706 12.3968725 11.853699 12.352043 12.288577 0 0 0 12.486333 12.404609 12.725153 12.485829 12.386671 12.562481 0 0 0 299.1376 Saxitoxin 5.0239697 0 0 0 0 0 0 0 0 0 12.501837 12.450438 12.522091 12.346237 12.418643 12.385863 11.870365 11.735133 11.683872 12.421802 12.366868 12.491602 12.469132 12.313733 12.43019 0 0 0 238.1469 238.1469@10.249941 10.249941 0 0 0 11.713816 0 0 0 0 0 0 0 0 11.544964 0 0 0 0 0 11.95092 0 0 0 0 0 0 0 11.42574 668.1959 Nevadensin 5-gentiobioside 6.472959 0 0 0 0 0 0 0 0 0 12.514467 12.517916 12.540855 12.542307 12.404609 12.444497 11.835261 11.776844 11.823765 12.579788 12.511505 12.526988 12.442685 12.437492 12.42075 0 0 0 603.3444 PS(22:0/0:0) null 5.5279655 5.5279655 0 0 0 0 0 0 0 0 0 12.504819 12.265908 12.351768 11.80655 11.805341 11.874213 0 0 0 12.391244 12.379107 12.236911 12.225208 12.410187 12.302639 0 0 0 1312.7529 1312.7529@6.225999 6.225999 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 222.0559 222.0559@9.001941 9.001941 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 334.0976 334.0976@5.310966 5.310966 0 0 0 0 0 0 0 0 0 13.128638 13.075145 13.054773 12.948367 12.082149 12.911205 0 11.556985 11.390706 12.3592005 13.106072 13.105581 13.042343 12.1228285 12.946359 0 0 0 210.1613 210.1613@13.273969 13.273969 0 0 0 0 0 0 12.397675 11.383164 0 0 0 0 0 0 0 0 0 0 0 0 0 11.584023 11.291746 0 0 0 0 715.2434 C26 H27 N20 O6 0.78499883 0 0 0 0 0 0 0 0 0 11.928518 11.879583 11.763627 0 0 0 11.94398 11.976563 11.8454895 0 0 0 12.290594 12.320236 12.24585 0 0 0 612.3503 Pyrrhoxanthin 6.10796 0 0 0 0 0 0 0 0 0 14.606232 14.628219 14.632825 14.3265705 14.240568 14.315079 13.133303 12.5265 12.405142 14.21485 14.197524 14.141868 14.377889 14.305207 14.372457 13.612178 13.671431 13.669771 686.2084 C21 H26 N20 O6 S null 7.590951 7.590951 0 0 0 0 0 0 0 0 0 13.159714 13.384244 13.142586 13.107544 13.491102 13.195372 12.216442 12.284246 12.388018 13.667555 13.276706 13.286414 13.3899 13.084145 13.016635 0 0 0 309.3018 309.3018@13.616971 13.616971 0 0 0 0 0 0 12.382084 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.691744 0 0 0 0 0 261.1201 261.1201@1.3269964 1.3269964 C10280 0 11.516192 11.3706875 0 0 0 0 0 0 0 0 0 0 0 0 12.305492 12.274087 12.2502985 0 0 0 0 0 0 0 0 0 559.3184 Auriculine null 5.3879595 5.3879595 0 0 0 0 0 0 0 0 0 12.418116 12.643405 12.479023 11.921469 12.202431 11.95565 0 0 0 12.416269 12.456612 12.478011 12.512741 12.426789 12.556266 11.48079 11.302068 11.324181 483.1814 Ala Trp Trp 7.599947 C07026 0 0 0 0 0 0 0 0 0 12.081484 12.176173 12.209759 12.04576 12.02202 12.028943 0 0 11.302068 12.208234 12.186733 12.0633955 11.9783535 12.035142 11.9837055 0 0 0 346.0739 3-Amino-3-deoxy-AMP 5.96996 0 0 0 0 0 0 0 0 0 12.509528 12.562481 12.509528 12.340685 12.508537 12.37232 11.643406 11.709084 0 12.562003 12.506555 12.566292 12.515206 12.431498 12.279321 0 0 0 423.2726 423.2726@13.270968 13.270968 11.493855 0 0 0 0 0 12.502336 11.582612 11.351491 0 0 0 0 0 0 0 0 0 0 0 0 11.709084 11.647907 0 0 0 0 410.1612 Asn Phe Met null 5.3869624 5.3869624 0 0 0 0 0 0 0 0 0 11.986554 11.845098 12.079485 12.034799 12.092756 11.920353 0 0 0 11.974773 12.108851 12.24674 11.963618 11.951284 11.940681 0 0 0 475.3852 475.3852@13.5639715 13.5639715 0 0 0 0 0 0 12.451984 11.7185335 11.569857 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 372.2865 372.2865@11.856953 11.856953 11.314017 0 0 0 0 0 12.465311 11.67816 11.472691 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 761.3196 761.3196@0.7779989 0.7779989 C09016 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 290.1157 5-O-Methylvisamminol 8.767945 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12.385054 12.421539 12.509528 12.342074 12.465821 12.438533 11.599448 11.818582 11.787903 601.4377 601.4377@11.122945 11.122945 C15516 0 0 0 0 0 0 0 0 0 0 0 0 12.384513 12.428361 12.463013 0 0 0 0 0 0 0 0 0 0 0 0 515.2926 Taurohyocholic acid 5.229966 0 0 0 0 0 0 0 0 0 12.138911 12.236013 12.207015 11.637983 11.724514 11.693487 0 0 0 12.128639 12.050529 12.099019 12.250891 12.096056 12.1130905 0 0 0 570.6776 null 6.556958 6.556958 0 0 0 0 0 0 0 0 0 12.742098 12.513727 12.625937 12.603163 12.67882 12.773757 11.854089 11.932584 13.2223425 12.471929 12.580258 12.411246 12.527476 12.483564 12.642503 12.335391 12.310613 12.433846 595.2786 C19 H33 N17 O6 0.76799864 0 0 0 0 0 0 0 0 0 11.737247 11.759056 11.830515 11.975131 12.043368 11.979068 0 0 0 11.483312 11.44035 11.321928 0 0 0 0 0 0 585.3513 C18 H45 N14 O8 6.6789556 0 0 0 0 0 0 0 0 0 13.228669 12.379649 13.268395 13.29577 13.262536 12.1848755 0 12.688687 0 11.9355345 12.838415 11.741045 12.190133 13.08165 11.557942 12.000705 12.977101 0 585.2624 C18 H37 N10 O12 0.76299846 0 0 0 0 0 0 0 0 0 11.850577 11.78831 11.954559 12.064405 12.101976 11.998238 0 0 0 11.545447 11.643406 11.764457 11.569382 11.604552 11.557942 0 0 0 428.2316 428.2316@14.073991 14.073991 11.481295 11.640245 11.358651 0 0 0 12.012973 11.703038 11.797662 0 0 0 0 0 0 0 0 11.327553 0 0 0 11.315149 0 11.344851 0 0 11.390706 298.1408 298.1408@6.086956 6.086956 11.299208 0 0 0 0 0 0 0 0 0 0 0 12.516439 12.887982 12.918863 11.295769 0 0 12.007729 11.557942 11.476747 0 0 0 0 0 0 390.0643 C11 H18 O15 5.310966 C17431 0 0 0 0 0 0 0 0 0 12.123798 12.124767 11.969027 12.145295 12.111462 12.110809 11.321364 11.399278 0 12.010529 11.957828 11.953105 11.889884 11.879201 11.768598 0 0 0 624.2694 Kanokoside D 0.8579985 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12.287712 11.498351 12.276124 0 0 0 0 0 0 0 0 0 665.3812 665.3812@5.087969 5.087969 0 0 0 0 0 0 0 0 0 0 13.064743 0 13.100005 0 13.14402 0 0 0 0 0 12.921655 13.024794 0 12.929443 13.110158 13.150858 13.233469 342.1381 342.1381@0.9069978 0.9069978 C18453 0 0 0 0 0 0 0 0 0 0 11.296343 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.1103 Bispyribac 5.0879674 0 0 0 0 0 0 0 0 0 12.115693 12.062721 12.079818 11.767771 11.736825 11.775198 0 0 0 11.982636 12.062383 12.013323 11.79604 11.7185335 11.850577 0 0 0 366.2742 366.2742@13.439973 13.439973 0 0 0 0 0 0 11.952741 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 546.3116 546.3116@5.908962 5.908962 0 0 0 12.697837 0 12.272922 12.498351 12.46429 12.668884 14.440025 14.440025 14.4743395 14.146887 14.135309 14.137311 13.1605015 13.133784 12.692398 14.110076 14.118374 14.091765 14.249483 14.185107 14.153948 13.591873 13.662779 13.620334 436.2448 Ascorbyl Palmitate 5.495966 0 0 0 0 0 0 0 0 12.135389 13.461224 13.4074 13.436061 13.161289 13.427182 13.388421 12.423904 0 12.533329 12.999119 13.228217 13.249705 13.337622 13.290018 12.989572 13.129444 13.099841 12.793197 445.1153 C16 H17 N10 O4 S 4.7239695 0 0 0 0 0 0 0 0 0 11.883789 12.009129 11.784636 11.609179 11.715104 11.669329 0 0 0 11.9501915 11.766529 11.909893 11.794822 11.665336 11.743572 0 0 0 581.4501 581.4501@13.45597 13.45597 0 0 0 0 0 0 12.116994 11.417325 11.344851 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 420.7435 null 5.5109653 5.5109653 0 0 0 0 0 0 0 0 0 13.329516 13.280046 13.408728 13.168829 13.116831 13.217655 0 12.22942 12.296629 13.215685 13.212648 13.23272 13.154344 13.150223 13.330496 12.889884 12.536975 12.856425 505.3623 505.3623@13.182967 13.182967 0 0 0 0 0 0 12.201818 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1094.2692 > limit null 5.3109646 5.3109646 0 0 0 0 0 0 0 0 0 12.107217 12.144658 11.938109 11.869593 11.766114 12.01402 0 0 0 12.188897 12.220681 12.20793 11.796851 11.84235 11.884171 0 0 0 1312.7494 1312.7494@6.225999 6.225999 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 458.2586 N-(4-benzenesulfonamide) arachidonoyl amine 5.589964 12.176797 0 12.235715 0 0 0 13.0844755 12.623195 12.852139 13.635037 14.35604 14.436256 14.311678 14.300424 14.340128 13.430976 13.390437 13.445144 14.352526 14.321364 14.288577 14.290594 14.35714 14.307343 14.096632 14.1161 14.04593 691.3963 C26 H57 N7 O14 5.77196 0 0 0 0 0 0 0 0 0 12.1130905 12.298348 12.243471 11.733863 11.653293 11.714675 0 0 0 11.840778 12.131857 12.128961 12.194757 11.859534 12.203653 0 0 0 279.8378 279.8378@0.8649979 0.8649979 0 0 11.30777 11.312316 0 0 0 0 11.59619 0 0 0 0 0 0 0 0 0 0 0 0 0 11.486333 0 0 11.516685 0 399.743 399.743@0.8709988 0.8709988 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.344296 0 0 0 0 0 0 157.0851 157.0851@1.3349963 1.3349963 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 674.2525 674.2525@12.863967 12.863967 0 0 0 0 0 0 11.997886 11.469642 11.517178 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 701.2028 701.2028@0.8059997 0.8059997 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 184.9603 184.9603@0.81199855 0.81199855 0 0 0 0 0 0 11.423116 0 0 11.424691 0 11.300924 0 0 0 0 11.295769 11.403545 0 0 0 11.868823 11.669771 11.7565565 0 11.309477 0 249.073 249.073@1.3339992 1.3339992 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1049.5977 1049.5977@5.82696 5.82696 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 641.2444 641.2444@0.78799874 0.78799874 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 621.355 C22 H51 N7 O13 5.559961 0 0 0 0 0 0 11.52552 0 11.457381 11.592458 11.706928 11.744834 11.574594 11.648357 11.571279 0 0 0 11.394463 11.29978 11.326429 11.8454895 11.886458 11.534789 11.688251 11.859534 11.842743 543.2364 C16 H29 N15 O7 0.7779991 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14.397207 13.172271 13.089285 13.088126 11.397675 11.429407 11.545447 0 0 0 0 0 0 457.3397 457.3397@12.293954 12.293954 0 11.608255 11.725366 0 0 0 0 11.643856 0 11.601307 0 11.441388 0 0 0 11.819381 0 0 0 0 0 0 11.556027 0 0 0 0 131.076 131.076@3.9279802 3.9279802 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 502.2975 502.2975@5.3039703 5.3039703 C02961 0 0 0 0 0 0 0 0 0 11.502335 11.627534 0 11.485326 11.709084 11.670656 0 0 0 11.299208 11.561287 11.751126 11.736402 0 11.659996 0 0 0 243.0847 Cytarabine 1.3199967 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.335949 11.381002 11.520618 11.701306 11.683434 11.585432 11.637983 11.381002 11.580259 605.2278 605.2278@0.7879997 0.7879997 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 334.1161 334.1161@0.9419976 0.9419976 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 645.4647 645.4647@11.109944 11.109944 0 0 0 0 0 0 0 0 0 0 0 0 11.706496 11.650602 11.735979 0 0 0 0 0 0 0 0 0 0 0 0 872.4911 872.4911@5.4959993 5.4959993 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 236.0794 236.0794@3.4079773 3.4079773 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.369597 11.47978 11.600377 871.6203 871.6203@13.397968 13.397968 0 0 0 0 0 0 11.610102 11.454814 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 453.3659 453.3659@12.211951 12.211951 0 0 0 0 0 0 0 0 0 0 0 0 11.305492 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1046.2563 > limit null 4.5929766 4.5929766 0 0 0 0 0 0 0 0 0 11.502831 11.476747 11.44035 11.434107 11.507299 11.448632 0 0 0 0 11.434107 11.329796 0 0 0 0 0 0 647.37 647.37@5.3543005 5.3543005 0 14.67513 0 0 0 0 0 0 0 11.540128 11.673308 11.477758 16.34006 16.330515 0 0 0 0 11.738092 11.482807 11.645208 11.298062 11.304922 11.651948 0 0 0 1020.6335 1020.6335@6.380999 6.380999 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 911.5269 911.5269@6.0919695 6.0919695 0 0 0 0 0 0 0 0 0 11.427313 11.327553 11.432542 0 0 0 0 0 0 0 11.324743 0 11.389631 11.325305 11.40886 0 0 0 378.2299 378.2299@12.846964 12.846964 0 11.326991 0 11.496354 0 0 0 0 0 0 0 0 11.2986355 0 11.296916 0 11.384784 11.42993 0 0 11.336507 11.405142 0 11.3392935 0 0 0 1105.6425 1105.6425@5.979919 5.979919 0 0 0 0 0 0 0 0 0 17.493855 17.48501 17.510548 17.163324 17.14433 17.136831 0 0 0 17.270552 17.272493 17.259716 17.27324 17.214443 17.238861 0 0 0 647.371 647.371@5.5035334 5.5035334 14.932168 0 14.877764 15.401813 0 15.427083 15.362354 0 15.317696 16.66804 16.714085 16.713333 0 0 16.347794 15.003299 15.035959 14.941414 16.693718 16.645884 16.682678 16.643644 16.578712 16.622152 15.75955 0 0 841.4848 841.4848@5.5129366 5.5129366 0 0 0 0 0 0 0 0 0 16.004946 16.037912 16.005625 15.926111 15.947066 15.949712 0 0 0 15.903552 15.52497 15.908135 15.963618 15.948847 15.937672 0 15.647853 15.6754055 756.3401 756.3401@12.866956 12.866956 C08676 12.67882 12.142746 12.052907 0 0 0 15.057103 14.017678 13.969566 12.1649065 11.891783 11.953833 11.940681 11.334273 11.401413 0 0 0 0 0 0 13.123798 12.623653 12.395534 0 0 0 453.2752 Delcosine 6.275945 0 0 0 0 0 0 13.449793 0 13.444239 14.992539 14.865443 15.538552 14.754731 14.617181 14.711935 13.994442 14.118455 14.026869 15.280517 14.7603035 15.264553 15.279756 15.224605 14.400146 14.453399 14.451533 14.43541 482.9606 482.9606@6.3769116 6.3769116 0 0 0 0 0 0 0 0 0 14.77859 14.788209 14.720618 14.550086 14.575658 14.388018 0 0 0 14.446307 14.508661 14.498163 14.446502 14.565222 14.510022 0 0 0 512.3107 PG(18:0/0:0) 6.473936 0 0 0 0 0 0 0 0 0 14.556505 14.589182 14.515884 14.296988 14.317201 14.360916 13.689998 13.558779 13.492354 14.116507 14.385997 14.312812 14.395534 14.298348 14.339293 13.899262 13.979068 13.823367 468.2854 468.2854@6.3259153 6.3259153 0 0 0 0 0 0 0 0 0 14.791926 14.600726 14.704606 14.440999 14.961676 14.392183 0 0 0 14.436582 14.44074 14.322562 14.45988 14.405076 14.389497 13.626393 0 0 157.9888 157.9888@0.8049984 0.8049984 0 0 11.894818 0 0 0 0 13.052059 12.968847 0 0 0 0 0 0 12.778282 0 12.8403845 0 0 0 12.59549 12.666668 12.663113 14.197985 14.098114 14.078485 526.9863 526.9863@6.514922 6.514922 0 0 0 0 0 0 0 0 0 14.219546 14.231522 14.148 14.142985 14.096056 14.217579 0 13.372321 0 13.980853 13.9008665 13.828632 14.015154 14.049338 13.950739 0 13.663335 0 423.9246 423.9246@6.1669292 6.1669292 0 0 0 0 0 0 0 0 0 14.6422205 14.221134 14.648807 13.916347 13.908861 13.727601 0 0 0 13.928797 14.379175 14.354663 14.003869 14.399345 14.409987 13.350111 0 0 266.2603 266.2603@13.741968 13.741968 13.477379 13.058161 13.021326 11.407268 0 0 14.033509 13.183325 13.094078 13.074308 12.638662 12.759473 12.422853 12.073472 12.020981 0 0 0 0 0 0 13.328674 12.908205 12.776022 11.939579 11.867664 11.733439 407.3011 407.3011@13.270962 13.270962 12.581672 11.985129 12.048147 0 0 0 13.86254 12.751962 12.73957 11.307201 0 0 11.99612 11.811375 11.733015 0 0 0 0 0 0 12.925925 12.754679 12.502583 12.296057 12.149112 11.98975 467.9502 C16 H6 N O14 S nullnullnull 6.245932 6.245932 0 0 0 0 0 0 0 0 0 13.999648 14.081651 14.027906 13.670987 13.69903 13.710268 0 0 12.177731 13.747249 13.86225 13.712312 13.722594 13.733969 13.748821 12.754679 12.761967 12.693051 138.9941 138.9941@0.80899876 0.80899876 0 0 0 0 0 0 12.5961895 12.467606 12.761552 0 0 0 0 0 0 12.736612 12.735978 12.697185 0 0 0 0 12.222493 12.575776 14.073304 13.949553 13.979425 556.0028 556.0028@6.5989485 6.5989485 0 0 0 11.687375 0 0 0 0 0 13.605826 13.59304 13.561169 13.536976 13.488844 13.77118 13.091766 12.882643 12.9729805 13.224756 13.3392935 13.243175 13.4074 13.329656 13.31713 13.310044 13.372594 13.332736 225.1723 225.1723@13.184969 13.184969 11.993647 11.687375 11.598983 0 0 0 13.502956 12.446307 12.254438 0 0 0 0 11.557942 0 0 0 0 0 0 0 12.510517 12.211584 12.040289 11.828533 11.727069 11.493855 526.6524 nullnullnull 6.4309506 6.4309506 12.061372 0 0 0 0 0 0 12.1062355 12.509528 14.20953 14.151095 14.058584 13.851944 13.741045 13.904353 13.02756 12.870364 12.993823 13.735451 13.646559 13.93765 13.857883 13.7869835 13.807054 13.238703 13.223701 13.136511 73.0167 73.0167@0.9449962 0.9449962 0 0 0 0 0 0 0 13.182239 0 12.760928 0 12.580966 12.711882 12.688906 0 12.531381 0 12.516439 12.441648 12.491853 0 0 12.608254 0 0 0 0 629.1852 629.1852@13.674967 13.674967 0 11.40886 0 11.441907 0 0 0 0 0 0 11.315716 0 11.441907 11.354249 11.392317 0 0 0 11.392854 11.287712 0 0 11.330916 0 11.47978 0 11.5068035 414.2453 C16 H36 N3 O9 4.98095 0 0 0 0 0 0 0 0 0 11.577901 11.699139 11.515207 11.6510515 11.594324 11.610102 0 0 0 11.543033 11.636171 11.483312 11.452242 11.65955 11.604091 11.520128 11.483816 11.585432 321.1035 321.1035@0.9129965 0.9129965 0 0 0 0 0 0 0 11.2946205 0 0 11.375039 0 0 11.485326 0 0 0 0 0 0 0 0 11.333156 11.326429 0 0 0 434.274 434.274@13.136966 13.136966 0 0 11.385323 11.417852 0 0 11.304922 0 11.331476 0 0 11.415742 11.362492 11.521601 0 11.454814 11.441907 11.319673 0 11.342074 11.488844 11.414685 11.322492 11.5741205 11.491352 11.507299 11.477253 370.3182 370.3182@10.27094 10.27094 11.41996 11.441388 11.362492 11.312883 0 11.564149 11.391781 11.382084 0 11.453785 11.454814 11.369597 0 11.456868 11.341519 11.444497 11.391243 11.438272 11.330916 11.324743 11.440869 11.515699 11.402479 11.343741 11.323618 11.428884 11.387479 130.0992 130.0992@6.174942 6.174942 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 291.8536 291.8536@0.861997 0.861997 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.324743 0 11.333156 0 0 0 827.5941 PS(O-16:0/22:0) 13.414963 0 0 0 0 0 0 12.0633955 12.007729 11.820977 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 409.3389 C18 H39 N11 12.228939 11.328674 11.364135 0 0 0 0 0 0 0 0 0 0 11.690434 11.519145 11.534789 0 0 0 0 0 0 0 0 0 0 0 0 569.413 C23 H49 N14 O3 12.121932 0 0 0 11.316847 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 130.0981 130.0981@6.1759415 6.1759415 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 613.4392 C27 H55 N11 O5 12.102936 0 0 0 11.348175 0 0 11.441388 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 465.0908 465.0908@1.333994 1.333994 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 149.1194 149.1194@0.5729991 0.5729991 13.943889 14.057738 14.0292015 14.045674 0 13.986375 14.059598 13.353699 14.058753 0 14.080734 14.052822 0 0 14.040119 0 13.839892 0 14.237957 14.018983 0 14.068023 0 0 13.07765 13.818582 14.070876 1224.7004 1224.7004@6.109 6.109 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 916.5176 916.5176@5.5850005 5.5850005 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 483.2947 483.2947@6.379963 6.379963 0 0 0 0 0 0 0 0 0 0 14.294333 13.553629 0 13.394596 13.390707 0 0 0 13.901432 0 13.340129 14.001408 0 13.372865 0 13.347483 12.67132 1518.9017 1518.9017@6.3910003 6.3910003 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 903.5421 903.5421@5.6050005 5.6050005 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1224.7 1224.7@6.1089997 6.1089997 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1136.6498 1136.6498@5.979 5.979 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 578.1403 578.1403@0.92299926 0.92299926 12.025485 0 0 0 0 0 0 0 0 0 0 0 11.352595 0 0 0 0 0 0 0 0 0 0 0 0 0 0 916.5173 916.5173@5.5850005 5.5850005 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 872.4918 872.4918@5.4949994 5.4949994 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 770.4593 770.4593@5.3359995 5.3359995 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1518.9039 1518.9039@6.467999 6.467999 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 859.5154 859.5154@5.519 5.519 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1060.6321 1060.6321@6.314999 6.314999 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 872.4904 872.4904@5.4949994 5.4949994 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1180.6755 1180.6755@6.0429993:1 6.0429993 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1180.675 1180.675@6.0429993 6.0429993 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1180.6726 1180.6726@6.0429993 6.0429993 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100.0009 100.0009@0.80499935 0.80499935 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 752.4498 752.4498@5.722987 5.722987 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1180.6755 1180.6755@6.0429993:2 6.0429993 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 56.0506 56.0506@1.2479999 1.2479999 0 0 0 0 0 0 13.590587 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13.479149 0 56.0627 56.0627@8.263999 8.263999 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 68.0617 68.0617@12.455968 12.455968 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1341.3499 1341.3499@3.384983 3.384983 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 791.4603 791.4603@0.8709991 0.8709991 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 110.9984 110.9984@0.8089969 0.8089969 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.561287 0 0 0 0 0 0 0 0 59.0377 59.0377@1.1369946 1.1369946 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17.433537 0 0 0 0 0 0 123.0167 123.0167@0.8059928 0.8059928 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14.200822 0 0 0 0 0 0 0