metabolite_name NC_01 NC_02 NC_03 NC_04 NC_05 NC_06 NC_07 NC_08 NC_09 NC_10 NC_11 NC_12 NC_13 NC_14 NC_15 NC_16 NC_17 NC_18 NC_19 NC_20 NC_21 NC_22 NC_23 NC_24 NC_25 NC_26 NC_27 NC_28 NC_29 NC_30 NC_31 NC_32 NC_33 NC_34 NC_35 NC_36 NC_37 NC_38 NC_39 COPD_01 COPD_02 COPD_03 COPD_06 COPD_07 COPD_08 COPD_09 COPD_10 COPD_11 COPD_12 COPD_13 COPD_14 COPD_15 COPD_16 COPD_17 COPD_18 COPD_19 COPD_20 COPD_21 COPD_22 COPD_23 COPD_24 COPD_25 COPD_26 COPD_27 COPD_28 COPD_29 COPD_30 COPD_31 COPD_32 COPD_33 COPD_34 COPD_35 COPD_36 COPD_37 COPD_38 COPD_39 COPD_40 COPD_41 COPD_42 COPD_43 COPD_44 COPD_45 COPD_46 COPD_47 COPD_48 COPD_49 COPD_50 COPD_51 COPD_52 COPD_53 COPD_54 COPD_55 COPD_56 COPD_57 COPD_58 COPD_59 COPD_60 COPD_61 COPD_62 COPD_63 COPD_64 COPD_65 COPD_66 COPD_67 COPD_68 COPD_69 COPD_70 COPD_71 TOPD_01 TOPD_02 TOPD_03 TOPD_04 TOPD_05 TOPD_06 TOPD_07 TOPD_08 TOPD_09 TOPD_10 TOPD_11 TOPD_12 TOPD_13 TOPD_14 TOPD_15 TOPD_16 TOPD_17 TOPD_18 TOPD_19 TOPD_20 TOPD_21 TOPD_22 TOPD_23 TOPD_24 TOPD_25 TOPD_26 TOPD_27 TOPD_28 TOPD_29 TOPD_30 TOPD_31 TOPD_32 TOPD_33 TOPD_34 TOPD_35 TOPD_36 TOPD_37 TOPD_38 TOPD_39 TOPD_40 TOPD_41 TOPD_42 TOPD_43 TOPD_44 TOPD_45 TOPD_46 TOPD_47 TOPD_48 TOPD_49 TOPD_50 TOPD_51 TOPD_52 TOPD_53 TOPD_54 TOPD_55 TOPD_56 TOPD_57 TOPD_58 TOPD_59 TOPD_60 Inosine 2.3261478 2.2093515 2.3201447 2.2843802 -0.4334131 2.2486196 -0.48039946 -0.46811056 2.5534868 -0.44316745 -0.45025718 -0.49184698 -0.4253319 2.1562123 2.2622736 -0.43211573 2.1748817 2.1312666 2.27453 -0.5125019 -0.43912426 -0.45313463 -0.4365999 -0.49995092 -0.4740125 1.9419656 -0.48888275 2.0721836 -0.46152413 -0.41597578 -0.43978113 2.550326 -0.4783143 -0.4764329 2.3017802 2.0883822 -0.475559 -0.47648817 -0.482248 1.997994 -0.39331326 -0.43994844 -0.43653375 -0.40333834 -0.40010497 -0.47682625 -0.40957588 -0.43587616 -0.3973484 -0.4487313 -0.47510123 -0.49153236 -0.42666948 -0.48784754 -0.44729117 -0.4157121 -0.46862784 -0.41776693 -0.4223645 -0.42790595 -0.5350939 -0.4218812 -0.4713576 -0.4541478 -0.411093 -0.4529467 -0.46492374 -0.45004055 -0.4200323 -0.4210444 -0.4680105 -0.46565238 -0.45388532 -0.44061336 -0.4763251 -0.41669217 -0.44858292 -0.49891502 -0.42572352 -0.47141814 -0.42825592 -0.40625778 -0.45970464 -0.43567073 -0.5033645 -0.5021144 0.44440794 -0.49641025 -0.4433176 -0.4846705 -0.45240074 -0.47382316 -0.43243384 -0.47523212 -0.47199944 -0.4465356 -0.42162117 -0.4618475 -0.42581207 -0.41984856 -0.40744683 1.903694 -0.45729437 -0.45796 -0.46211487 -0.4823705 -0.42340147 -0.48417214 na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na Colnelenic acid -2.6628792 -2.7248738 0.09355692 -0.014885251 -2.68179 0.4668861 0.30484682 0.08593274 -2.6355643 0.18723737 -2.7023633 -2.7531602 0.23876414 -0.17130445 0.23461255 -0.19722556 0.26200172 0.41630614 -2.7609882 0.118639804 0.21455218 0.58015287 -2.6856825 0.025132686 0.34432167 0.56703043 0.5961149 0.27698168 -2.7161245 0.039264984 0.59155184 0.5474054 -2.7366316 0.32500017 -2.7341423 0.22559702 0.040663168 -0.34483248 -2.7414362 0.33890805 0.54310423 0.40844044 0.3770078 0.4004399 0.4984427 0.456684 0.5340451 0.55134284 0.46806887 0.32279795 0.4033737 0.56065375 0.42952475 0.39068636 0.3316147 0.25019518 0.32690507 0.38355055 0.38361594 0.4073964 0.5154449 0.3984174 0.28261778 0.62267053 0.5218786 0.015615119 0.18519183 0.514992 -0.012650764 0.49845532 0.4837637 0.25081798 0.2744717 0.1503723 0.21680184 0.38850638 0.32267013 0.1827528 0.68705493 0.38530073 0.63551325 0.29148415 0.50682414 0.74732137 0.289305 0.44139457 -1.6096342 0.43565652 0.28464818 0.26108742 0.56844187 0.4443149 0.14561309 0.22635746 0.5953993 0.48947868 0.5724556 0.3831607 0.449063 0.41524306 0.43525 0.6745859 0.7700941 0.48632133 0.52513236 0.48901019 0.45665854 0.41920742 na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na Pregnenolone -2.1292305 -2.1825094 -2.1294124 0.022135198 -2.1454825 0.62851286 0.51246387 0.41473097 -2.1057556 -2.1557214 -2.1631634 -2.206819 -2.137 0.14950477 0.47008717 0.14761491 0.33185348 0.56038594 -2.2135463 0.3401026 0.35316095 0.7099468 -2.1488278 0.25730723 -2.1880987 0.57995415 0.5981196 0.41835216 -2.17499 0.18414883 0.49245593 0.70817345 -2.192614 0.46629316 -2.1904747 0.21164492 0.11110359 -2.1906972 0.16611359 0.47802663 0.49703023 0.4749774 0.44277862 0.5237991 0.31133878 0.2547938 0.69023883 0.41390184 0.35496134 0.42394933 0.37374434 0.77272767 0.15859292 0.4546438 0.26380572 -2.1269023 0.511902 0.5311571 -2.1338851 0.49834627 0.091162324 0.56783825 0.32811326 0.634858 0.6530707 0.25473097 0.13249812 0.6893772 0.3607176 0.595289 0.5722612 0.51184636 0.44091815 0.11769466 0.25760844 0.63513166 0.4000129 0.19957955 0.67523795 0.34547845 0.80036736 0.32706502 0.68516845 0.86363125 0.33445564 0.6747569 -1.2240595 0.6550819 0.34326074 0.2692567 0.5677903 0.44229722 0.11449905 0.37429133 0.6339337 0.62254465 0.5800513 0.4840358 0.4687015 0.59772325 0.51009184 0.73700154 0.87183005 0.30421522 0.50533336 0.6281538 0.39997324 0.6153666 na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na 2-Hydroxystearic acid -2.0951025 -0.42397693 -0.71450686 -2.1216593 0.5750511 1.2268943 -0.4493183 -1.5039262 -1.0988626 -2.7399056 -1.0586144 0.1473256 -0.42561698 -0.33686146 0.17524862 -1.2520375 1.3199378 -0.317544 -1.3352243 -0.95695233 -0.013832982 -1.1141748 -0.91046005 -1.0215256 -1.945474 0.4858165 1.3273696 0.47602233 -2.4886498 -1.2621118 0.6638325 0.2015915 -1.7647336 -0.27863088 -1.3413956 -0.44652194 -0.3398688 -1.70327 -2.2078617 0.7659884 1.2984893 1.1163521 1.2078993 -0.062031664 0.98995674 0.027118208 0.6767261 0.897243 0.11873274 0.24825795 -0.44181097 0.864258 1.189892 1.0849278 -9.15E-04 -0.6927358 0.3257138 0.7459044 -0.19713023 1.1705267 -1.6310282 0.3478027 0.028233066 0.63587445 0.7466931 0.8873714 -0.31357843 0.04956277 0.45660725 0.32764682 1.0466707 0.20337068 0.76785326 -0.15103412 -0.52799404 1.2405508 0.38162804 -1.5050576 1.3310256 -0.40237635 1.7398889 0.65241116 1.0094105 1.2593062 0.12887979 -0.49671537 1.3427178 -0.40790826 1.5099666 -1.2868266 -0.4191287 0.049581196 -0.020684285 0.5989275 0.25300485 0.9926398 0.24840905 0.7533711 0.5008735 1.4467238 0.80122614 -0.023890652 0.73825884 -0.640309 -0.66679835 0.6219378 0.9211636 0.20989397 na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na 4-cholesten-7α,12α,24-triol-3-one 0.7216812 0.83867985 -1.4826851 -1.501226 1.1623229 0.7621707 0.7652437 -1.5232192 -1.4644173 -1.5030012 -1.5087478 0.6252027 0.59545076 -1.4580989 0.53318083 -1.4940431 0.40528458 0.7157741 -1.5476539 0.6843759 -1.4997239 -1.5110803 -1.4976778 -1.5490278 -1.528003 -1.5380025 0.8126065 -1.54005 -1.5178804 -1.4809607 0.6776547 -1.4536153 -1.53149 0.78803504 -1.5298378 0.25965476 -1.5292566 -1.5300097 -1.5346785 -1.4930772 0.6339499 0.7380504 0.77694523 -1.4707172 0.52926916 0.51939845 0.6511623 0.6724527 0.48369706 0.52754384 0.6517657 0.63024855 0.6589955 0.6857502 0.60100484 0.56697625 0.7480754 0.4874624 0.557266 0.71212935 0.30878255 0.8197433 0.6240853 0.4970087 0.68884903 0.8221378 0.4402107 0.56206954 0.7102311 -1.4850692 0.6860063 0.34328017 0.84108174 -1.500931 0.66907895 0.8060145 0.8561828 0.36274126 0.69417596 0.59384733 0.64272887 -1.4730836 0.6763603 0.663649 0.7550008 0.6306464 -0.7835662 0.8096485 0.8455795 -1.5366421 0.42841443 0.7196478 -1.494301 0.5847703 0.6557479 0.4961557 1.0104259 0.6605299 0.49355882 0.6050781 0.5960686 0.7034322 0.84051865 -1.5149915 0.7005871 0.64648515 0.6790139 0.6577369 na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na DG(38:8) -1.449036 -1.4924101 -1.4491841 -1.4687307 -1.4622668 0.84477645 -1.5024182 -0.13774341 -1.4299252 -1.4706022 -1.4766606 0.62744915 -1.4553611 0.5458623 0.61362815 -1.4611582 0.7337686 0.53419685 -1.5176772 0.39291397 -1.4671471 -1.4791194 -1.46499 0.57732224 0.40168977 0.8221064 0.86440355 0.60960114 -1.4862885 -1.447366 0.77246684 -1.4185373 -1.5006363 0.1753151 -1.4988946 -1.4436728 -1.4982818 -1.4990758 -1.5039978 0.6513443 0.82259953 0.8048984 0.73462987 0.56599456 -1.4338039 0.78613573 -1.441897 0.9713902 0.5014417 0.55493075 -1.4978906 0.7611121 0.85684717 0.7630739 0.6841598 0.46328115 0.8369297 0.6317644 0.71055335 0.8272441 0.5491628 0.6279276 0.68891597 0.73735404 0.572285 0.93336695 0.6036156 0.68185914 -1.4508325 -1.4516973 0.76587236 0.63046664 0.7937126 0.3452953 0.4307626 0.7714786 0.64892143 0.5444346 0.82572174 0.48685586 0.9520429 0.8067227 0.6955518 0.7766232 -1.5220425 0.62999666 -0.7121402 0.55585384 0.9278062 0.5559613 0.5337557 0.6699076 -1.46143 0.7478921 0.7203907 0.7103304 -1.4521902 0.7572799 0.6105436 0.872919 0.66584325 -1.470778 0.7964599 0.47422725 0.4804126 0.75949174 0.837494 0.7565297 na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na PE(29:1) -1.8418771 0.30617148 -0.5735311 -1.6364125 -0.37982252 0.64360774 -1.1827824 -1.7557787 -0.40477657 -2.8370383 -0.5682831 1.2683618 0.6706348 -0.5006651 -0.20518896 -1.2505997 0.8550764 -0.33589864 -1.8388121 -1.049128 0.38307437 -1.2710205 -1.392446 -0.7003709 -1.7814435 1.1193771 0.41429508 -0.086974174 -2.6171823 -0.73685205 1.0332327 -0.44382498 -2.3194275 0.16887686 -0.89241475 -0.4170075 -0.38967657 -1.4205015 -2.151203 1.2794806 0.73216003 1.174226 1.0718117 1.0777944 1.4848056 -0.473029 0.18231687 1.1401919 0.46175614 1.0160156 -0.15578611 0.45963082 0.89953226 0.61433977 1.0138724 -0.022397086 0.20437436 0.20697396 -0.4896735 0.90716064 -1.8607006 0.28404525 0.795482 -0.068777606 0.69339204 0.49050578 0.7221926 0.1083449 0.622617 0.9522338 0.32927924 -0.28128076 1.1790595 0.15754636 0.29693606 1.0827284 0.49264213 -2.1324737 1.0167937 0.6004729 0.5016191 0.15342768 0.43261743 0.9560693 0.23629275 -0.79125893 2.1401281 0.525916 0.7942571 -1.9104897 0.41080466 0.90467376 -0.21140136 0.058426518 0.78011256 0.30645466 0.002471715 0.016604591 -0.01046996 0.6095255 0.9879196 -0.6283105 0.050948694 0.002886883 -0.5486417 0.8849712 1.0082965 0.1877821 na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na PC(28:2) -1.5175753 0.7024659 -1.5177343 -1.5387255 -1.5317838 0.7149281 0.59297353 -1.5636251 -1.4970523 -1.5407352 -1.5472413 0.7196057 0.5490845 -1.4898988 -1.5293341 -1.5305933 -1.4847908 -1.5935234 -1.591289 -1.6043624 0.5466109 -1.5498819 -1.5347084 -1.5928445 -1.5690413 0.7845543 0.8455772 0.62985724 -1.5575808 -1.515782 0.70925766 -1.4848228 -1.572989 0.3975576 0.20462069 -1.5118158 0.72567534 -1.5713131 -1.5765989 0.77698034 -1.494985 0.74673104 0.8060802 0.7523422 0.69095236 0.75304204 0.3740421 0.635989 0.33232793 0.84645957 0.67385983 0.8042366 0.84031045 0.8102293 0.68050146 -1.51554 0.6873451 0.27004978 0.40678713 0.52906436 0.53186697 0.64021826 0.6526739 0.5616902 0.55335915 0.9089777 0.68272597 0.58794683 0.48368123 0.5838894 0.68192273 0.45271719 0.7802079 0.4820083 0.6089786 0.73833007 0.71185285 -1.5918938 0.7545465 0.6983828 0.73612034 0.5405799 0.660921 0.7118589 0.7362528 0.3791455 -0.7262226 0.6694337 0.7070383 -1.5788219 0.6136348 0.75975144 0.51661175 0.6686008 0.8608382 0.7518897 0.5196424 0.8087001 -1.5248085 0.7525476 0.5900686 0.43824047 0.7374453 0.42407948 0.349227 0.742083 0.62937516 0.60776097 na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na PA(36:8) -1.7113582 -1.7613724 -1.7115289 -1.734068 -1.7266145 0.69606555 0.36139715 -1.7608038 -1.6893218 -1.7362261 -1.7432119 0.5933711 0.5266627 0.48614672 0.32864308 -1.7253362 0.6622635 0.64464486 0.38900286 -1.804545 0.45642367 -1.7460473 -1.7297547 0.4537075 -1.7666193 0.47699642 0.6536684 0.52221596 -1.7543138 -1.7094326 0.6002437 -1.6761904 -1.7708582 0.54544675 -1.7688497 0.4401975 0.5513026 -1.7690587 -1.7747341 0.6558289 0.67728186 0.65342116 0.6159948 0.5696806 0.6457232 0.5969759 0.53356844 0.6930389 0.6015063 0.68466586 0.5173126 0.58056146 0.6223211 0.599056 0.64202183 0.42484537 0.5208119 0.62122023 0.5146383 0.58705074 0.4150559 0.40467194 0.62390983 0.5674787 0.67161936 0.56357145 0.5994688 0.44310972 -1.7134297 0.709509 0.5794421 0.695065 0.62870306 0.53773534 0.6137228 0.68849725 0.5019358 0.35775387 0.6905327 0.55819947 0.7043175 0.74064124 0.44698423 0.73820853 -1.7955414 0.5154589 -0.86165047 0.5852638 0.75619376 -1.7771212 0.49523148 0.6892347 -1.7256496 0.5928245 0.6657756 0.5164555 0.5316968 0.621233 0.6225082 0.6715298 0.5769692 0.35691866 -1.750146 0.48883012 0.29912335 0.6066098 0.59450287 0.58136946 na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na metabolite_name HMDB RT M/Z MSI level Inosine HMDB0000195 1.789 268.0774 1 Colnelenic acid HMDB0030996 12.258 292.2003 2 Pregnenolone HMDB0000253 12.459 298.244 1 2-Hydroxystearic acid HMDB00062549 12.697 300.2629 2 4-cholesten-7α,12α,24-triol-3-one HMDB0006757 13.656 324.2209 2 DG(38:8) HMDB0062399 13.729 432.3248 2 PE(29:1) HMDB0008888 13.730 647.4509 2 PC(28:2) HMDB0007900 13.730 673.4862 2 PA(36:8) HMDB0115038 13.450 688.3982 2