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