Sample name 2015_10_26_C 2015_10_26_E 2015_10_26_I 2015_10_26_M 2015_10_27_A 2015_10_27_D 2015_10_27_E 2015_10_27_H 2015_10_27_J 2015_10_27_M 2015_10_27_N 2015_10_28_C 2015_10_28_E 2015_10_28_H 2015_10_28_I 2015_10_28_J 2015_10_28_M 2015_10_28_N 2015_10_30_A 2015_10_30_E 2015_10_30_F 2015_10_30_G 2015_10_30_H 2015_10_30_I 2015_10_30_J 2015_10_30_N 2015_11_02_G 2015_11_11_C 2015_11_11_D 2015_11_11_H 2015_11_11_J 2015_11_11_K 2015_11_11_N 2015_11_11_O 2015_11_11_P 2015_11_11_S 2015_11_13_B 2015_11_13_D 2015_11_13_E 2015_11_13_F 2015_11_13_K 2015_11_13_M 2015_11_13_O 2015_11_13_R 2015_11_14_A 2015_11_14_B 2015_11_14_C 2015_11_14_D 2015_11_14_J 2015_11_14_L 2015_11_14_P 2015_11_14_Q 2015_11_14_R 2015_11_14_S 2015_11_16_C 2015_11_16_D 2015_11_16_M STD_14 m/z retention_time Factors Parent:ARG81W_KAN 1 Parent:ARG81O_KAN 3 Parent:ARG81O_KAN 4 Parent:media only Parent:ARG81W_KAN 3 Parent:ARG81O_KAN 3 Parent:ARG81O_KAN 2 Parent:ARG81W_KAN 2 Parent:ARG81O_KAN 1 Parent:media only Parent:no cells/no media Parent:ARG81W_KAN 2 Parent:ARG81O_KAN 4 Parent:ARG81O_KAN 3 Parent:ARG81O_KAN 1 Parent:ARG81W_KAN 1 Parent:media only Parent:no cells/no media Parent:ARG81W_KAN 3 Parent:ARG81O_KAN 2 Parent:ARG81W_KAN 1 Parent:ARG81W_KAN 3 Parent:ARG81W_KAN 2 Parent:ARG81O_KAN 2 Parent:ARG81O_KAN 4 Parent:no cells/no media Parent:ARG81O_KAN 1 Parent:AUA1W_KAN 5 Parent:AUA1W_KAN 4 Parent:AUA1W_KAN 1 Parent:AUA1O_KAN 1 Parent:AUA1W_KAN 2 Parent:AUA1O_KAN 5 Parent:AUA1O_KAN 4 Parent:AUA1O_KAN 3 Parent:AUA1O_KAN 2 Parent:AUA1O_KAN 5 Parent:AUA1O_KAN 4 Parent:AUA1W_KAN 5 Parent:AUA1W_KAN 1 Parent:AUA1O_KAN 3 Parent:AUA1W_KAN 2 Parent:AUA1W_KAN 4 Parent:AUA1W_KAN 3 Parent:AUA1O_KAN 3 Parent:AUA1O_KAN 2 Parent:AUA1W_KAN 5 Parent:AUA1W_KAN 1 Parent:AUA1O_KAN 4 Parent:AUA1O_KAN 1 Parent:AUA1O_KAN 5 Parent:AUA1W_KAN 2 Parent:AUA1W_KAN 4 Parent:AUA1W_KAN 3 Parent:AUA1W_KAN 3 Parent:AUA1O_KAN 2 Parent:AUA1O_KAN 1 Parent:BC233_BC240_mix 57.03_0.1 0.038780048 0.042346382 0.04379378 0.044728634 0.040551361 0.043940396 0.041651929 0.038783789 0.040270267 0.045957123 0.047429989 0.042061022 0.045160968 0.043543955 0.042620198 0.039052408 0.047897292 0.052013726 0.041818907 0.043582598 0.037672042 0.041821688 0.039475506 0.045329426 0.044993921 0.050576991 0.042105138 0.042809896 0.041631609 0.041367231 0.043129134 0.042165051 0.040650703 0.043396707 0.044285457 0.045001301 0.04392456 0.043336442 0.044322417 0.043249575 0.044706858 0.044087962 0.045483144 0.041445945 0.042226218 0.04036817 0.042605611 0.043788287 0.045531796 0.04165013 0.041039324 0.045297629 0.041467477 0.040703184 0.041024157 0.042136381 0.046362084 0.047232696 57.03 0.1 59.01_0.1 0.037740249 0.005 0.046521779 0.048616066 0.005 0.005 0.005 0.005 0.037636785 0.005 0.005 0.005 0.005 0.005 0.041235841 0.005 0.005 0.005 0.04446582 0.005 0.005 0.005 0.005 0.033153707 0.005 0.005 0.005 0.005 0.005 0.038379242 0.005 0.005 0.005 0.035267602 0.039575515 0.036283156 0.036560714 0.005 0.005 0.005 0.005 0.005 0.005 0.052317805 0.005 0.041976293 0.005 0.005 0.034365611 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.040143168 0.054412049 59.01 0.1 59.05_0.1 0.050950157 0.052771375 0.052446878 0.056280935 0.049784575 0.055339104 0.051590723 0.04803788 0.05087325 0.05732504 0.058889325 0.052879557 0.054458473 0.053554945 0.052397553 0.051902854 0.054954175 0.062407969 0.053409164 0.052835661 0.050242036 0.051892851 0.050613685 0.052305159 0.055054743 0.061897624 0.054806574 0.049989366 0.048707368 0.047492298 0.048738341 0.051182474 0.04962762 0.052998352 0.050921318 0.050784105 0.05233065 0.052672061 0.048275135 0.051148432 0.050253257 0.050302994 0.051986504 0.005 0.051760263 0.049535281 0.050916857 0.051301732 0.051316876 0.052272693 0.049374901 0.051865571 0.049903111 0.046489713 0.047777593 0.049851481 0.054374157 0.005 59.05 0.1 60.99_0.1 0.022771381 0.025306627 0.02048034 0.016307577 0.020109597 0.02874192 0.025867869 0.021784142 0.020450593 0.015331846 0.01604264 0.026301505 0.021727893 0.026906007 0.021312378 0.023618643 0.019424513 0.021198852 0.024517692 0.024842182 0.016202886 0.020772255 0.027308031 0.026874461 0.024047703 0.017437399 0.023573909 0.022659555 0.020197734 0.017247618 0.022336713 0.022703849 0.017786963 0.027191035 0.022701861 0.021412443 0.024389961 0.022988369 0.024222725 0.019831 0.024157996 0.021717896 0.023333221 0.021203781 0.02229625 0.018360775 0.018238252 0.022302856 0.023722002 0.01912368 0.020362462 0.022987885 0.022676296 0.021928506 0.02059453 0.022785315 0.024221217 0.025201139 60.99 0.1 66.08_0.1 0.017010289 0.018129639 0.017007432 0.019844355 0.014727855 0.016742955 0.017417309 0.020850927 0.016846924 0.019078185 0.017866908 0.018982861 0.018518733 0.017096868 0.018136358 0.015203952 0.018509364 0.0223887 0.020517403 0.017286165 0.017866273 0.016197107 0.017348193 0.016242847 0.019600494 0.020205467 0.0161687 0.017208167 0.018393444 0.018244408 0.016478109 0.02199725 0.020484002 0.021044233 0.018977935 0.015733001 0.017396766 0.021496427 0.017068066 0.019304972 0.018195119 0.01922813 0.017914673 0.016662683 0.017343386 0.018322299 0.01768022 0.019644181 0.018825526 0.017423432 0.020191782 0.019493482 0.017910735 0.018047322 0.01779931 0.019322634 0.01674216 0.019026205 66.08 0.1 68.99_0.1 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 68.99 0.1 71.01_0.1 0.047372341 0.048359326 0.063060759 0.061434407 0.059137851 0.055470593 0.054741933 0.052709201 0.04719208 0.055687943 0.005 0.051652047 0.043157191 0.055667608 0.052032289 0.049201475 0.060635715 0.005 0.057681472 0.057434544 0.053628997 0.053051345 0.045131139 0.043200077 0.058095278 0.005 0.057617619 0.053475191 0.059557 0.051807637 0.045424423 0.045072689 0.053422863 0.046439051 0.047958805 0.049521462 0.046367536 0.043831184 0.039436638 0.049806422 0.041572216 0.037291873 0.042499094 0.068252439 0.03552553 0.05496407 0.054113627 0.049676091 0.042990311 0.057681001 0.052808295 0.04559533 0.047008429 0.057912174 0.051808 0.061091677 0.051091959 0.069640736 71.01 0.1 72.99_0.1 0.005 0.005 0.005 0.005 0.005 0.01314659 0.011986585 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.012940442 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.012524311 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.012622543 0.005 0.005 0.014394838 72.99 0.1 74.02_0.1 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.012225111 0.005 0.005 0.005 0.005 74.02 0.1 75_0.1 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.012446284 75 0.1 75.96_0.1 0.005 0.012229741 0.014987161 0.014363959 0.005 0.014454071 0.005 0.012784368 0.005 0.018716829 0.018192527 0.005 0.014725521 0.012857144 0.015830419 0.014369708 0.012651014 0.018798832 0.005 0.013818951 0.012643466 0.005 0.005 0.015622935 0.012554529 0.020006506 0.005 0.015674943 0.014241312 0.014724109 0.015419397 0.005 0.005 0.014137533 0.01522985 0.005 0.015228227 0.005 0.014715876 0.01335123 0.014086334 0.016503629 0.012543409 0.013959233 0.01622679 0.012436821 0.014970738 0.014366042 0.014374279 0.013379024 0.01483782 0.012576963 0.005 0.016449336 0.014177678 0.012273989 0.015778728 0.014037421 75.96 0.1 76.97_0.1 0.142822532 0.15240104 0.149956655 0.161712662 0.141245847 0.153677067 0.148587648 0.14190229 0.146227183 0.17056366 0.184133442 0.147833647 0.155237642 0.150225938 0.153658076 0.146209781 0.161657006 0.192638154 0.147376658 0.150034873 0.144598589 0.151742981 0.147926865 0.154333683 0.156420833 0.187750768 0.149792317 0.148128234 0.147293291 0.142584415 0.146363721 0.148928962 0.145360327 0.155544605 0.148395313 0.148352049 0.150862075 0.151601277 0.150474566 0.145296641 0.152703417 0.151901177 0.149258376 0.143102783 0.151808274 0.144612963 0.145665955 0.147867498 0.150843711 0.149182211 0.146117534 0.149383942 0.149161786 0.138595705 0.142856845 0.146777954 0.153898471 0.14911368 76.97 0.1 77.96_0.1 0.018775185 0.020438662 0.020113475 0.021593501 0.017913423 0.021235948 0.018949898 0.017817127 0.016530577 0.023545886 0.026062967 0.019798829 0.019671313 0.019274704 0.018291198 0.018808617 0.020862522 0.02516435 0.019711968 0.018527272 0.017497976 0.018756937 0.020529683 0.019850913 0.020917045 0.024908693 0.019120835 0.019248945 0.017559131 0.018792291 0.018010986 0.019180582 0.019348431 0.020958373 0.021517631 0.019499314 0.019524714 0.019644092 0.019052741 0.018926121 0.019741959 0.020717811 0.019946558 0.017646071 0.020279113 0.01964826 0.0199029 0.019024763 0.018708951 0.020059067 0.018402134 0.018296836 0.017692056 0.017326334 0.020541959 0.017026872 0.018871261 0.020999974 77.96 0.1 78.95_0.1 0.054724133 0.052556951 0.055080189 0.053751292 0.051980709 0.056013185 0.053786079 0.052843249 0.050399846 0.049533246 0.025073762 0.050750537 0.047656221 0.053070683 0.055226247 0.053549772 0.052396903 0.027986237 0.052847958 0.054885419 0.054056115 0.05230392 0.049088661 0.050086447 0.054514225 0.028208882 0.051969014 0.055613241 0.0514464 0.054142231 0.051047744 0.051048699 0.057395864 0.052811764 0.053276163 0.051959989 0.050131348 0.050886537 0.052105283 0.051893367 0.049121045 0.049872233 0.050785797 0.056971592 0.046898436 0.051936799 0.046212494 0.053109885 0.056329314 0.052008521 0.054317563 0.051956335 0.052966455 0.0598211 0.050116368 0.053404643 0.051471311 0.056180008 78.95 0.1 79.95_0.1 0.113902455 0.120772217 0.14762724 0.170588759 0.137555888 0.137052741 0.133686256 0.126010487 0.116665357 0.152861391 0.031408098 0.128009805 0.109361684 0.138384033 0.135057139 0.126670624 0.158192273 0.030771586 0.137859949 0.138276387 0.140959098 0.132412408 0.111425271 0.104453427 0.137982746 0.02749564 0.129100305 0.121231642 0.137461991 0.122046385 0.104662916 0.106517238 0.12836494 0.112144296 0.114831291 0.124075339 0.110995819 0.103580816 0.095989455 0.126644862 0.097707459 0.095100556 0.108082301 0.153313212 0.085650958 0.133615372 0.132815431 0.123397158 0.1099799 0.137917795 0.131473036 0.103690158 0.116751231 0.110450079 0.120116091 0.14054757 0.127847181 0.158158285 79.95 0.1 80.96_0.1 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.013629574 0.005 0.005 0.005 0.005 0.005 0.012203056 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.014345851 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.017655527 0.005 0.005 0.005 80.96 0.1 81.95_0.1 0.016661521 0.018508663 0.022392193 0.026845444 0.019663075 0.020334091 0.020419394 0.019180393 0.018948173 0.024150384 0.005 0.01875021 0.016242483 0.02089862 0.020727331 0.01658893 0.023783402 0.005 0.021062807 0.021639893 0.021716013 0.019500944 0.019042875 0.013932875 0.02152658 0.005 0.020174712 0.019144526 0.01967056 0.018458217 0.013707839 0.016291456 0.020002846 0.015816045 0.0170606 0.017786547 0.015290305 0.015925492 0.012898045 0.019359684 0.015717911 0.012436057 0.015751371 0.024052471 0.005 0.020094697 0.018875524 0.019212388 0.016295506 0.0211629 0.019896015 0.015165399 0.01681204 0.015391862 0.015343147 0.023178895 0.020813088 0.024293592 81.95 0.1 83.02_0.1 0.005 0.013151253 0.015654008 0.017551748 0.015334182 0.014836224 0.012311635 0.005 0.005 0.015451336 0.013907905 0.005 0.012143535 0.011679007 0.005 0.012498384 0.016610531 0.017179723 0.005 0.013698174 0.013041825 0.014466141 0.01281154 0.005 0.013544709 0.015951785 0.014105653 0.012850126 0.01310068 0.005 0.005 0.005 0.005 0.01287933 0.005 0.012318955 0.014067924 0.005 0.005 0.005 0.005 0.015683631 0.005 0.018246641 0.005 0.011931994 0.014599917 0.014252277 0.005 0.015858499 0.012113768 0.012832479 0.013097342 0.013472914 0.012771005 0.015817553 0.012951131 0.018311428 83.02 0.1 85.02_0.1 0.027027173 0.027714577 0.033422235 0.033639748 0.03101867 0.031166219 0.028615136 0.027710811 0.026924557 0.029790648 0.005 0.027824442 0.026076451 0.030099723 0.032112344 0.02835105 0.032042351 0.005 0.0309414 0.030596619 0.031201786 0.029402918 0.026684696 0.026740535 0.032600889 0.005 0.031836499 0.028535376 0.031041624 0.031668314 0.026639048 0.02786848 0.028332395 0.025515986 0.028397583 0.029216713 0.026269344 0.027028126 0.025569585 0.029317717 0.026176586 0.024715349 0.025875944 0.03566083 0.023601013 0.030488914 0.028789442 0.029613711 0.027867507 0.02916158 0.030835738 0.028956723 0.026554641 0.034793023 0.029849622 0.031585144 0.02854033 0.037993679 85.02 0.1 87_0.1 0.027110459 0.022798987 0.028326286 0.023055341 0.025872535 0.027112685 0.025274134 0.022039744 0.02374647 0.019416185 0.005 0.02426788 0.023560407 0.025512444 0.024557952 0.025285618 0.023041046 0.005 0.025034301 0.026183633 0.026600613 0.025056652 0.02274244 0.024829793 0.026888838 0.005 0.025375935 0.03063519 0.025624121 0.02763219 0.02854142 0.028749606 0.026650915 0.026489803 0.027307128 0.02681785 0.023919701 0.027511174 0.026842491 0.027468326 0.025200475 0.0244409 0.024160087 0.031869171 0.025658669 0.02826382 0.023588414 0.027041373 0.026608217 0.027231236 0.028690776 0.02710408 0.026991063 0.037560859 0.028047255 0.029891372 0.026994675 0.033811032 87 0.1 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0.005 0.038786868 0.042303663 0.041121765 0.041086942 0.040365587 0.016324808 0.005 0.042896377 0.039986553 0.03919733 0.041486196 0.038935991 0.016021287 0.005 0.041325612 0.039834257 0.037593927 0.038886258 0.043353652 0.042100436 0.039893422 0.005 0.041151832 0.041375624 0.038806238 0.037728721 0.041092675 0.040895582 0.041658988 0.044463041 0.044920923 0.042076093 0.041420048 0.042436391 0.042924852 0.04106344 0.04337406 0.038695977 0.042585019 0.039884866 0.038322153 0.037927564 0.043151434 0.043416308 0.042497575 0.042535069 0.039573228 0.045073521 0.042887805 0.047282958 0.038736901 0.040473576 0.041054196 0.042462658 115 0.1 115.06_0.1 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.015653004 0.005 0.005 0.005 0.005 0.005 0.005 0.019174472 0.005 0.005 0.005 0.015846401 0.005 0.005 0.005 0.015567454 0.005 0.034387368 0.030314474 0.034712201 0.033646795 0.035476306 0.032480585 0.032740014 0.034377379 0.031573129 0.032399311 0.035727284 0.035063387 0.034391844 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0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.020458171 0.005 0.005 0.005 121.02 0.1 122.02_0.1 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.013441447 0.005 0.005 0.005 0.005 122.02 0.1 122.95_0.1 0.042616891 0.044337877 0.043327732 0.05815312 0.042936588 0.046134426 0.04391106 0.041561191 0.043648132 0.063713778 0.078581701 0.045213818 0.047016348 0.044166275 0.046750784 0.045925154 0.059286714 0.083300929 0.044275959 0.043386575 0.044662354 0.04662419 0.044460631 0.046554666 0.045680548 0.082708441 0.043373681 0.046317327 0.045507947 0.043991126 0.047966789 0.044405367 0.045478668 0.050951271 0.044491699 0.046765809 0.048277272 0.047776449 0.046908136 0.047424873 0.047510171 0.052618132 0.047064413 0.041060128 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0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 126.9 0.1 127_0.1 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 0.005 127 0.1 127.04_0.1 0.025527152 0.028814321 0.022001066 0.005 0.027022143 0.031084007 0.026799433 0.030470589 0.029948935 0.005 0.005 0.028869492 0.03171589 0.026984016 0.029066128 0.027183378 0.005 0.005 0.026899727 0.025109882 0.025030472 0.026814351 0.031146322 0.030156091 0.02507912 0.005 0.027162722 0.031116262 0.026305605 0.029094621 0.027752327 0.029716957 0.029262081 0.027881965 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